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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning
A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/src/prior/benchmark.py
import numpy as np import pandas as pd from blackbox.load_utils import evaluation_split_from_task, tasks from optimizer.normalization_transforms import from_string from prior.mlp_pytorch import ParametricPrior from prior.mlp_sklearn import ParametricPriorSklearn normalization = "gaussian" rows = [] #tasks = [ # 'electricity', # # 'australian', # #'m4-Hourly', # #'m4-Daily', #] for task in tasks: Xys_train, (X_test, y_test) = evaluation_split_from_task(task) X_train = np.concatenate([X for X, y in Xys_train], axis=0) normalizer = from_string(normalization) z_train = np.concatenate([normalizer(y).transform(y) for X, y in Xys_train], axis=0) # y_test is only used for measuring RMSE on the prior as mentioned in the paper z_test = normalizer(y_test).transform(y_test) # todo normalization inside prior prior = ParametricPrior( X_train=X_train, y_train=z_train, num_gradient_updates=2000, num_decays=2, num_layers=3, num_hidden=50, dropout=0.1, lr=0.001, ) mu_pred, sigma_pred = prior.predict(X_test) rmse = np.sqrt(np.square(mu_pred - z_test).mean()) mae = np.abs(mu_pred - z_test).mean() row = {"task": task, "rmse": rmse, "mae": mae} rows.append(row) print(row) df = pd.DataFrame(rows) print(df.to_string())
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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning
A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/src/experiments/optimizer_names.py
class names: # put names into a class to add structure and avoid having lots of imports RS = "RS" # ablation GP = "GP" GCP_ho_prior = "GCP + homosk. prior" GCP = "GCP" GCP_prior = "GCP + prior (ours)" GP_prior = "GP + prior" CTS_ho_prior = "CTS + homosk. prior" CTS_prior = "CTS (ours)" TS_prior = "TS" GP_prior = "GP + prior" # multi-objectives MO_suffix = " + MO" GP_prior_mo = GP_prior + MO_suffix GP_mo = GP + MO_suffix GCP_prior_mo = "GCP + prior" + MO_suffix + " (ours)" GCP_mo = GCP + MO_suffix CTS_prior_mo = "CTS + prior" + MO_suffix + " (ours)" TS_prior_mo = TS_prior + MO_suffix # baselines WS_BEST = 'WS GP' AUTORANGE_GP = "AutoGP" AUTORANGE_RS = "AutoRS" BOHB = 'BOHB' REA = 'R-EA' REINFORCE = 'REINFORCE' ABLR = "ABLR" ABLR_COPULA = 'ABLR Copula' SGPT = "SGPT" SGPT_COPULA = "SGPT Copula" EHI = "EHI" SMS = "SMS" SUR = "SUR" EMI = "EMI" def method_name(dataset_name): for prefix in ["fcnet", "xgboost"]: if prefix in dataset_name: return prefix if 'nas102' in dataset_name: return 'NAS' return "DeepAR" def rename_results(df): rename_dict = { 'ablr_norm_fixed_set_tr': names.ABLR, 'ablr_copula': names.ABLR_COPULA, 'copula_gp_1_5_random_fix_sigma_5_tr': names.GCP_ho_prior, 'copula_gp_1_5_random_pred_sigma_5_tr': names.GCP_prior, 'copula_gp_1_5_random_pred_sigma_std_5_tr': names.GP_prior, 'copula_rs_1_fix_sigma_tr': names.CTS_ho_prior, 'copula_rs_1_pred_sigma_std_tr': names.TS_prior, 'copula_rs_1_pred_sigma_tr': names.CTS_prior, 'gp_fixed_set_tr': names.GP, 'random_fixed_set_tr': names.RS, 'warm-start-gp-top1-1init': names.WS_BEST, 'auto-range-gp': names.AUTORANGE_GP, 'copula_gp_no_proir': names.GCP, 'sgpt_0.01': names.SGPT, #'sgpt_0.10': names.SGPT_010, #'sgpt_1.00': names.SGPT_100, 'sgpt_0.01_copula': names.SGPT_COPULA } df.method = df.method.apply(lambda name: rename_dict[name] if name in rename_dict else "") df = df.loc[df.method != "", :] df.dataset = df.dataset.apply( lambda name: name.replace("xgboost_", "") .replace("_max_resource", "") .replace("fcnet_", "") .replace("nas102_", "") .replace("_lookup", "") ) df = df[df.dataset != 'skin_nonskin'] return df
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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/src/experiments/table2.py
from typing import List, Optional import pandas as pd import numpy as np from pathlib import Path from blackbox.offline import deepar, fcnet, xgboost, nas102 from experiments.load_results import load_results_paper from experiments.optimizer_names import names path = Path(__file__).parent def adtm_scores(df, optimizers_to_plot = None, baseline: Optional[str] = "RS"): # return adtm table per blackbox and per dataset scores_df = df.groupby(["blackbox", "task", "optimizer", "iteration"])[ "ADTM" ].mean().reset_index().pivot_table( values='ADTM', columns=['optimizer'], index=['blackbox', 'task', 'iteration'], ) rel_scores = (scores_df[[baseline]].values - scores_df.values) / scores_df[[baseline]].values rel_scores_df = pd.DataFrame(rel_scores, index=scores_df.index, columns=scores_df.columns).reset_index( level=2).drop( columns='iteration') scores_per_task = rel_scores_df.groupby(['blackbox', 'task']).mean() avg_scores_per_blackbox = rel_scores_df.groupby(['blackbox']).mean() if optimizers_to_plot is not None: avg_scores_per_blackbox = avg_scores_per_blackbox[optimizers_to_plot] scores_per_task = scores_per_task[optimizers_to_plot] scores_per_blackbox = avg_scores_per_blackbox.T[["DeepAR", "FCNET", "XGBoost", "nas_bench102"]] return scores_per_blackbox, scores_per_task def rank(scores_per_task: pd.DataFrame, blackboxes: List[str]): ranks = {} for b in blackboxes: ranks[b] = scores_per_task.transpose()[b].rank(ascending=False).mean(axis=1) return pd.DataFrame(ranks) if __name__ == '__main__': df_paper = load_results_paper() print(df_paper.head()) baseline = names.RS renamed_baseline = f"{names.RS} (baseline)" df_paper.optimizer = df_paper.optimizer.apply(lambda name: renamed_baseline if name == baseline else name) optimizers_to_plot = [ renamed_baseline, names.TS_prior, names.CTS_prior, names.GP_prior, names.GCP, names.GCP_prior, names.GP, names.AUTORANGE_GP, names.WS_BEST, names.ABLR, names.ABLR_COPULA, names.SGPT, names.SGPT_COPULA, names.BOHB, names.REA, names.REINFORCE, ] scores_per_blackbox, scores_per_task = adtm_scores( df_paper, optimizers_to_plot, baseline=renamed_baseline, ) print(scores_per_blackbox.to_string()) print(scores_per_blackbox.to_latex(float_format='%.2f', na_rep='-')) rank_df = rank(scores_per_task=scores_per_task, blackboxes=[deepar, fcnet, xgboost, nas102]) print(rank_df.to_string()) print(rank_df.to_latex(float_format='%.1f', na_rep='-')) # generates "dtm (rank)" numbers dataframe so that it can be exported easily in latex dtm_and_rank_values = [] for x, y in zip(scores_per_blackbox.values.reshape(-1), rank_df.values.reshape(-1)): dtm_and_rank_values.append("{:.2f}".format(x) + " (" + "{:.1f}".format(y) + ")") dtm_and_rank = pd.DataFrame( np.array(dtm_and_rank_values).reshape(rank_df.shape), index=rank_df.index, columns=rank_df.columns ) print(dtm_and_rank.to_latex())
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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/src/experiments/table2-new-implem.py
import os import pandas as pd from pathlib import Path from experiments.load_results import load_results_paper, load_results_reimplem, add_adtm from experiments.optimizer_names import names from experiments.table2 import adtm_scores, rank path = Path(__file__).parent if __name__ == '__main__': df_paper = load_results_paper(do_add_adtm=False) df_reimplem = load_results_reimplem() df = pd.concat([df_paper, df_reimplem], sort=False) print(df.optimizer.unique()) optimizers_to_plot = [ "RS", names.CTS_prior, "CTS (sklearn)", "CTS (pytorch)", names.GCP_prior, "GCP+prior (sklearn)", "GCP+prior (pytorch)", ] df = add_adtm(df) scores_per_blackbox, scores_per_task = adtm_scores(df, optimizers_to_plot) print(scores_per_blackbox.to_string()) print(scores_per_blackbox.to_latex(float_format='%.2f', na_rep='-'))
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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning
A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/src/experiments/figure1.py
from pathlib import Path import matplotlib.pyplot as plt from blackbox.offline import deepar, fcnet, xgboost, nas102 from experiments.load_results import load_results_paper from experiments.optimizer_names import names from experiments.optimizer_styles import optimizer_style path = Path(__file__).parent def plot_optimizers(df, ax, blackbox, optimizers, legend: bool = False): df_plot = df.loc[df.optimizer.isin(optimizers), :] pivot_df = df_plot.loc[df_plot.blackbox == blackbox, :].groupby( ['blackbox', 'optimizer', 'iteration'] )['ADTM'].mean().reset_index().pivot_table( index='iteration', columns='optimizer', values='ADTM' ).dropna() # reorder optimizers to original list order optimizers = [m for m in optimizers if m in pivot_df] style, color = zip(*[optimizer_style(optimizer) for optimizer in optimizers]) pivot_df[optimizers].plot( ax=ax, title=blackbox, color=list(color), style=[a + b for a, b in style], # marker=list(marker), markevery=20, alpha=0.8, lw=2.5, ) ax.grid() if blackbox == 'DeepAR': ax.set_ylim([None, 1e-2]) if blackbox == 'fcnet': ax.set_ylim([None, 0.3]) if blackbox == 'xgboost': ax.set_ylim([1e-2, 0.3]) if blackbox == 'NAS': ax.set_xlim([None, 65]) # ax.set_ylim([0.001, None]) ax.set_yscale('log') ax.set_ylabel('ADTM') if not legend: ax.get_legend().remove() else: ax.legend(loc="upper right") if __name__ == '__main__': df = load_results_paper() blackboxes = [deepar, fcnet, xgboost, nas102] optimizers_to_plot = [ [ names.RS, names.GP, names.AUTORANGE_GP, names.WS_BEST, names.ABLR, names.CTS_prior, names.GCP_prior, # 'BOHB', 'R-EA', 'REINFORCE', ], [ names.GP, names.GP_prior, names.GCP, names.GCP_prior, names.TS_prior, names.CTS_prior, ] ] fig, axes = plt.subplots(4, 2, figsize=(10, 12), sharex='row', sharey='row') for i, blackbox in enumerate(blackboxes): for j, optimizers in enumerate(optimizers_to_plot): plot_optimizers(df, blackbox=blackbox, ax=axes[i, j], optimizers=optimizers, legend=(i == 0)) plt.savefig("adtm.pdf") plt.show()
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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning
A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/src/optimizer/gaussian_process_functional_prior.py
from typing import Optional, Tuple, Callable, Union, List import logging import numpy as np import torch from gpytorch import ExactMarginalLogLikelihood from gpytorch.constraints import GreaterThan from gpytorch.likelihoods import GaussianLikelihood from torch import Tensor from torch.distributions import Normal from botorch import fit_gpytorch_model from botorch.acquisition import ExpectedImprovement, ScalarizedObjective from botorch.models import SingleTaskGP from botorch.models.model import Model from botorch.optim import optimize_acqf from botorch.utils.transforms import t_batch_mode_transform from blackbox import Blackbox from constants import num_gradient_updates from misc.artificial_data import artificial_task1 from optimizer.gaussian_process import GP from optimizer.thompson_sampling_functional_prior import TS def residual_transform(y, mu_pred, sigma_pred): return (y - mu_pred) / sigma_pred def residual_transform_inv(z, mu_pred, sigma_pred): return z * sigma_pred + mu_pred def scale_posterior(mu_posterior, sigma_posterior, mu_est, sigma_est): mean = mu_posterior * sigma_est + mu_est sigma = (sigma_posterior * sigma_est) return mean, sigma class ShiftedExpectedImprovement(ExpectedImprovement): """ Applies ExpectedImprovement taking care to shift residual posterior with the predicted prior mean and variance :param model: :param best_f: best value observed (not residual but actual value) :param mean_std_predictor: :param objective: :param maximize: """ def __init__( self, model: Model, best_f: Union[float, Tensor], mean_std_predictor: Callable[[np.array], Tuple[np.array, np.array]], objective: Optional[ScalarizedObjective] = None, maximize: bool = True, ) -> None: super(ShiftedExpectedImprovement, self).__init__(model=model, best_f=best_f, objective=objective, maximize=maximize) self.mean_std_predictor = mean_std_predictor @t_batch_mode_transform(expected_q=1) def forward(self, X: Tensor) -> Tensor: """ :param X: A (..., 1, input_dim) batched tensor of input_dim design points. Expected Improvement is computed for each point individually, i.e., what is considered are the marginal posteriors, not the joint. :return: A (...) tensor of Expected Improvement values at the given design points `X`. """ with torch.no_grad(): # both (..., 1,) # (..., input_dim) X_features = X.detach().numpy().squeeze(1) mu_est, sigma_est = self.mean_std_predictor(X_features) # both (..., 1, 1) mu_est = torch.Tensor(mu_est).unsqueeze(1) sigma_est = torch.Tensor(sigma_est).unsqueeze(1) posterior = self._get_posterior(X=X) mean, sigma = scale_posterior( mu_posterior=posterior.mean, sigma_posterior=posterior.variance.clamp_min(1e-6).sqrt(), mu_est=mu_est, sigma_est=sigma_est, ) u = (mean - self.best_f.expand_as(mean)) / sigma if not self.maximize: u = -u normal = Normal(torch.zeros_like(u), torch.ones_like(u)) ucdf = normal.cdf(u) updf = torch.exp(normal.log_prob(u)) ei = sigma * (updf + u * ucdf) return ei.squeeze(dim=-1).squeeze(dim=-1) class ShiftedThompsonSampling(ExpectedImprovement): """ Applies Thompson sampling taking care to shift residual posterior with the predicted prior mean and variance :param model: :param best_f: :param mean_std_predictor: :param objective: :param maximize: """ def __init__( self, model: Model, best_f: Union[float, Tensor], mean_std_predictor: Callable[[np.array], Tuple[np.array, np.array]], objective: Optional[ScalarizedObjective] = None, maximize: bool = True, ) -> None: super(ShiftedThompsonSampling, self).__init__(model=model, best_f=best_f, objective=objective, maximize=maximize) self.mean_std_predictor = mean_std_predictor @t_batch_mode_transform(expected_q=1) def forward(self, X: Tensor) -> Tensor: """ :param X: A `... x 1 x d`-dim batched tensor of `d`-dim design points. Expected Improvement is computed for each point individually, i.e., what is considered are the marginal posteriors, not the joint. :return: A `...` tensor of Expected Improvement values at the given design points `X`. """ with torch.no_grad(): # both (..., 1,) mu_est, sigma_est = self.mean_std_predictor(X) posterior = self._get_posterior(X=X) mean, sigma = scale_posterior( mu_posterior=posterior.mean, sigma_posterior=posterior.variance.clamp_min(1e-9).sqrt(), mu_est=mu_est, sigma_est=sigma_est, ) normal = Normal(torch.zeros_like(mean), torch.ones_like(mean)) u = normal.sample() * sigma + mean if not self.maximize: u = -u return u.squeeze(dim=-1).squeeze(dim=-1) class G3P(GP): def __init__( self, input_dim: int, output_dim: int, bounds: Optional[np.array] = None, evaluations_other_tasks: Optional[List[Tuple[np.array, np.array]]] = None, num_gradient_updates: int = num_gradient_updates, normalization: str = "standard", prior: str = "pytorch", ): super(G3P, self).__init__( input_dim=input_dim, output_dim=output_dim, bounds=bounds, normalization=normalization, ) self.initial_sampler = TS( input_dim=input_dim, output_dim=output_dim, evaluations_other_tasks=evaluations_other_tasks, num_gradient_updates=num_gradient_updates, normalization=normalization, prior=prior, ) def _sample(self, candidates: Optional[np.array] = None) -> np.array: if len(self.X_observed) < self.num_initial_random_draws: return self.initial_sampler.sample(candidates=candidates) else: z_observed = torch.Tensor(self.transform_outputs(self.y_observed.numpy())) with torch.no_grad(): # both (n, 1) #mu_pred, sigma_pred = self.thompson_sampling.prior(self.X_observed) mu_pred, sigma_pred = self.initial_sampler.prior.predict(self.X_observed) mu_pred = torch.Tensor(mu_pred) sigma_pred = torch.Tensor(sigma_pred) # (n, 1) r_observed = residual_transform(z_observed, mu_pred, sigma_pred) # build and fit GP on residuals gp = SingleTaskGP( train_X=self.X_observed, train_Y=r_observed, likelihood=GaussianLikelihood(noise_constraint=GreaterThan(1e-3)), ) mll = ExactMarginalLogLikelihood(gp.likelihood, gp) fit_gpytorch_model(mll) acq = ShiftedExpectedImprovement( model=gp, best_f=z_observed.min(dim=0).values, mean_std_predictor=self.initial_sampler.prior.predict, maximize=False, ) if candidates is None: candidate, acq_value = optimize_acqf( acq, bounds=self.bounds_tensor, q=1, num_restarts=5, raw_samples=100, ) # import matplotlib.pyplot as plt # x = torch.linspace(-1, 1).unsqueeze(dim=-1) # x = torch.cat((x, x * 0), dim=1) # plt.plot(x[:, 0].flatten().tolist(), acq(x.unsqueeze(dim=1)).tolist()) # plt.show() return candidate[0] else: # (N,) ei = acq(torch.Tensor(candidates).unsqueeze(dim=-2)) return torch.Tensor(candidates[ei.argmax()]) if __name__ == '__main__': logging.basicConfig(level=logging.INFO) num_evaluations = 10 Xy_train, X_test, y_test = artificial_task1() blackbox = Blackbox( input_dim=2, output_dim=1, eval_fun=lambda x: x.sum(axis=-1, keepdims=True), ) optimizer = G3P( input_dim=blackbox.input_dim, output_dim=blackbox.output_dim, evaluations_other_tasks=Xy_train, num_gradient_updates=2, ) candidates = X_test for i in range(num_evaluations): x = optimizer.sample(candidates) #x = optimizer.sample() y = blackbox(x) logging.info(f"criterion {y} for arguments {x}") optimizer.observe(x=x, y=y)
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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/src/optimizer/thompson_sampling_functional_prior.py
import logging from typing import Optional, List, Tuple import numpy as np from constants import num_gradient_updates from optimizer import Optimizer from optimizer.normalization_transforms import from_string from optimizer.random_search import RS from prior.mlp_pytorch import ParametricPrior from prior.mlp_sklearn import ParametricPriorSklearn class TS(Optimizer): def __init__( self, input_dim: int, output_dim: int, bounds: Optional[np.array] = None, evaluations_other_tasks: Optional[List[Tuple[np.array, np.array]]] = None, num_gradient_updates: int = num_gradient_updates, normalization: str = "standard", prior: str = "pytorch", ): super(TS, self).__init__( input_dim=input_dim, output_dim=output_dim, evaluations_other_tasks=evaluations_other_tasks, bounds=bounds, ) # todo add option for data transform assert evaluations_other_tasks is not None X_train = np.concatenate([X for X, y in evaluations_other_tasks], axis=0) normalizer = from_string(normalization) z_train = np.concatenate([normalizer(y).transform(y) for X, y in evaluations_other_tasks], axis=0) prior_dict = { "sklearn": ParametricPriorSklearn, "pytorch": ParametricPrior, } logging.info(f"fit prior {prior}") self.prior = prior_dict[prior]( X_train=X_train, y_train=z_train, num_gradient_updates=num_gradient_updates, ) logging.info("prior fitted") def _sample(self, candidates: Optional[np.array] = None) -> np.array: if candidates is None: num_random_candidates = 10000 # since Thompson Sampling selects from discrete set of options, # when no candidates are given we draw random candidates candidates = self.draw_random_candidates(num_random_candidates) mu_pred, sigma_pred = self.prior.predict(candidates) samples = np.random.normal(loc=mu_pred, scale=sigma_pred) return candidates[np.argmin(samples)] def draw_random_candidates(self, num_random_candidates: int): random_sampler = RS( input_dim=self.input_dim, output_dim=self.output_dim, bounds=self.bounds, ) candidates = np.stack([random_sampler.sample() for _ in range(num_random_candidates)]) return candidates
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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/src/optimizer/gaussian_process.py
import logging from typing import Optional import numpy as np import torch from botorch import fit_gpytorch_model from botorch.acquisition import ExpectedImprovement from botorch.models import SingleTaskGP from botorch.optim import optimize_acqf from botorch.utils.transforms import normalize from gpytorch import ExactMarginalLogLikelihood from gpytorch.constraints import GreaterThan from gpytorch.likelihoods import GaussianLikelihood from blackbox import Blackbox, BlackboxOffline from constants import num_initial_random_draws from misc import set_seed from misc.artificial_data import artificial_task1 from optimizer import Optimizer from optimizer.normalization_transforms import from_string from optimizer.random_search import RS class GP(Optimizer): def __init__( self, input_dim: int, output_dim: int, bounds: Optional[np.array] = None, normalization: str = "standard", evaluations_other_tasks=None, ): super(GP, self).__init__( input_dim=input_dim, output_dim=output_dim, evaluations_other_tasks=evaluations_other_tasks, bounds=bounds, ) # maintains observations # (num_observations, input_dim) self.X_observed = torch.empty(size=(0, input_dim)) # (num_observations, output_dim) self.y_observed = torch.empty(size=(0, output_dim)) self.num_initial_random_draws = num_initial_random_draws self.normalizer = from_string(normalization) self.initial_sampler = RS( input_dim=input_dim, output_dim=output_dim, bounds=bounds, ) self.bounds_tensor = torch.Tensor(self.bounds) def expected_improvement(self, model, best_f): return ExpectedImprovement( model=model, best_f=best_f, maximize=False, ) def transform_outputs(self, y: np.array): psi = self.normalizer(y) z = psi.transform(y) return z def _sample(self, candidates: Optional[np.array] = None) -> np.array: if len(self.X_observed) < self.num_initial_random_draws: return self.initial_sampler.sample(candidates=candidates) else: z_observed = torch.Tensor(self.transform_outputs(self.y_observed.numpy())) # build and fit GP gp = SingleTaskGP( train_X=self.X_observed, train_Y=z_observed, # special likelihood for numerical Cholesky errors, following advice from # https://www.gitmemory.com/issue/pytorch/botorch/179/506276521 likelihood=GaussianLikelihood(noise_constraint=GreaterThan(1e-3)), ) mll = ExactMarginalLogLikelihood(gp.likelihood, gp) fit_gpytorch_model(mll) acq = self.expected_improvement( model=gp, best_f=z_observed.min(dim=0).values, ) if candidates is None: candidate, acq_value = optimize_acqf( acq, bounds=self.bounds_tensor, q=1, num_restarts=5, raw_samples=100, ) return candidate[0] else: # (N,) ei = acq(torch.Tensor(candidates).unsqueeze(dim=-2)) return torch.Tensor(candidates[ei.argmax()]) def _observe(self, x: np.array, y: np.array): # remark, we could fit the GP there so that sampling several times avoid the cost of refitting the GP self.X_observed = torch.cat((self.X_observed, torch.Tensor(x).unsqueeze(dim=0)), dim=0) self.y_observed = torch.cat((self.y_observed, torch.Tensor(y).unsqueeze(dim=0)), dim=0) if __name__ == '__main__': logging.basicConfig(level=logging.INFO) num_evaluations = 10 Xy_train, X_test, y_test = artificial_task1(seed=0) print(y_test[0]) set_seed(0) blackbox = BlackboxOffline( X=X_test, y=y_test, ) optimizer = GP( input_dim=blackbox.input_dim, output_dim=blackbox.output_dim, ) candidates = X_test for i in range(num_evaluations): #x = optimizer.sample(candidates) x = optimizer.sample() y = blackbox(x) logging.info(f"criterion {y} for arguments {x}") optimizer.observe(x=x, y=y)
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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning
A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/src/blackbox/offline.py
from pathlib import Path import pandas as pd import numpy as np deepar = 'DeepAR' fcnet = 'FCNET' xgboost = 'XGBoost' nas102 = 'nas_bench102' metric_error = 'metric_error' metric_time = 'metric_time' def evaluations_df(blackbox: str) -> pd.DataFrame: """ :returns a dataframe where each row corresponds to one hyperparameter evaluated for one task. The hyperparamers columns are all prefixed by 'hp_', the metric columns (error, time, etc) are prefixed by 'metric_' and dataset information are prefixed by 'dataset_' (only available for DeepAR). Two columns 'task' and 'blackbox' contains the name of the task and of the blackbox. ## DeepAR Hyperparameters: * num_layers * num_cells * context_length_ratio, context_length_ratio = context_length / prediction_length * dropout_rate * learning_rate * num_batches_per_epoch Constants: * epochs = 100 * early_stopping_patience = 5 Dataset specific: * time_freq * prediction_length Metrics: * CRPS * train_loss * throughput * RMSE ## FCNET """ assert blackbox in [deepar, fcnet, xgboost, nas102] df = pd.read_csv(Path(__file__).parent / f"offline_evaluations/{blackbox}.csv.zip") return df if __name__ == '__main__': df = evaluations_df(deepar) import seaborn as sns import matplotlib.pyplot as plt df["hp_learning_rate"] = df.hp_learning_rate_log.apply(np.exp) df["hp_context_length_ratio"] = df.hp_context_length_ratio_log.apply(np.exp) df["hp_num_batches_per_epoch"] = df.hp_num_batches_per_epoch_log.apply(np.exp) ax = sns.scatterplot(data=df, x='hp_learning_rate', y='metric_CRPS', hue='task') plt.show() ax = sns.scatterplot(data=df, x='hp_learning_rate', y='metric_CRPS', hue='task') ax.set(xscale="log", yscale="log") plt.show() ax = sns.scatterplot(data=df, x='hp_context_length_ratio', y='metric_CRPS', hue='task') ax.set(yscale="log") plt.show() ax = sns.scatterplot(data=df, x='hp_num_batches_per_epoch', y='metric_time', hue='task') ax.set(xscale="log", yscale="log") plt.show()
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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning
A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/src/blackbox/load_utils.py
import logging from typing import Tuple, List import numpy as np from blackbox.offline import evaluations_df, deepar, fcnet, nas102, xgboost blackbox_tasks = { nas102: [ 'cifar10', 'cifar100', 'ImageNet16-120' ], fcnet: [ 'naval', 'parkinsons', 'protein', 'slice', ], deepar: [ 'm4-Hourly', 'm4-Daily', 'm4-Weekly', 'm4-Monthly', 'm4-Quarterly', 'm4-Yearly', 'electricity', 'exchange-rate', 'solar', 'traffic', ], xgboost: [ 'a6a', 'australian', 'german.numer', 'heart', 'ijcnn1', 'madelon', 'skin_nonskin', 'spambase', 'svmguide1', 'w6a' ], } error_metric = { deepar: 'metric_CRPS', fcnet: 'metric_error', nas102: 'metric_error', xgboost: 'metric_error', } tasks = [task for bb, tasks in blackbox_tasks.items() for task in tasks] def evaluations_np( blackbox: str, test_task: str, metric_cols: List[str], min_max_features: bool = False ) -> Tuple[List[Tuple[np.array, np.array]], Tuple[np.array, np.array]] : """ :param blackbox: :param test_task: :param metric_cols: :param min_max_features: whether to apply min-max scaling on input features :return: list of features/evaluations on train task and features/evaluations of the test task. """ logging.info(f"retrieving metrics {metric_cols} of blackbox {blackbox} for test-task {test_task}") df = evaluations_df(blackbox=blackbox) assert test_task in df.task.unique() for c in metric_cols: assert c in df.columns Xy_dict = {} for task in sorted(df.task.unique()): mask = df.loc[:, 'task'] == task hp_cols = [c for c in sorted(df.columns) if c.startswith("hp_")] X = df.loc[mask, hp_cols].values y = df.loc[mask, metric_cols].values Xy_dict[task] = X, y # todo it would be better done as a post-processing step if blackbox in [fcnet, nas102]: # applies onehot encoding to *all* hp columns as all hps are categories for those two blackboxes # it would be nice to detect column types or pass it as an argument from sklearn.preprocessing import OneHotEncoder enc = OneHotEncoder(handle_unknown='ignore', sparse=False) hp_cols = [c for c in sorted(df.columns) if c.startswith("hp_")] enc.fit(df.loc[:, hp_cols]) for task, (X, y) in Xy_dict.items(): X_features = enc.transform(X) Xy_dict[task] = X_features, y if min_max_features: # min-max scaling of input features from sklearn.preprocessing import MinMaxScaler X = np.vstack([X for (X, y) in Xy_dict.values()]) scaler = MinMaxScaler().fit(X) Xy_dict = {t: (scaler.transform(X), y) for (t, (X, y)) in Xy_dict.items()} Xys_train = [Xy_dict[t] for t in df.task.unique() if t != test_task] Xy_test = Xy_dict[test_task] return Xys_train, Xy_test def blackbox_from_task(task: str) -> str: for bb, tasks in blackbox_tasks.items(): if task in tasks: return bb assert f"unknown task {task}" def evaluation_split_from_task(test_task: str, min_max_features: bool = True) -> Tuple[np.array, np.array]: """ :param test_task: :param min_max_features: whether inputs are maped to [0, 1] with min-max scaling :return: list of features/evaluations on train task and features/evaluations of the test task. """ blackbox = blackbox_from_task(test_task) Xys_train, Xy_test = evaluations_np( blackbox=blackbox, test_task=test_task, metric_cols=[error_metric[blackbox]], min_max_features=min_max_features ) return Xys_train, Xy_test if __name__ == '__main__': Xys_train, (X_test, y_test) = evaluation_split_from_task("a6a") for task in [ 'electricity', 'cifar10', 'australian', 'parkinsons', ]: Xys_train, (X_test, y_test) = evaluation_split_from_task(task) print(len(Xys_train), X_test.shape)
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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning
A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/tst/test_prior.py
import numpy as np from prior.mlp_pytorch import ParametricPrior num_train_examples = 10000 num_test_examples = num_train_examples dim = 2 num_gradient_updates = 200 lr = 1e-2 def make_random_X_y(num_examples: int, dim: int, noise_std: float): X = np.random.rand(num_examples, dim) noise = np.random.normal(scale=noise_std, size=(num_examples, 1)) y = X.sum(axis=-1, keepdims=True) + noise return X, y def test_mu_fit(): # test that parametric prior can recover a simple linear function for the mean noise_std = 0.01 X_train, y_train = make_random_X_y(num_examples=num_train_examples, dim=dim, noise_std=noise_std) prior = ParametricPrior( X_train=X_train, y_train=y_train, num_gradient_updates=num_gradient_updates, num_decays=1, # smaller network for UT speed num_layers=2, num_hidden=20, dropout=0.0, lr=lr ) X_test, y_test = make_random_X_y(num_examples=num_test_examples, dim=dim, noise_std=noise_std) mu_pred, sigma_pred = prior.predict(X_test) mu_l1_error = np.abs(mu_pred - y_test).mean() print(mu_l1_error) assert mu_l1_error < 0.3 def test_sigma_fit(): # test that parametric prior can recover a simple constant function for the variance noise_std = 0.5 X_train, y_train = make_random_X_y(num_examples=num_train_examples, dim=dim, noise_std=noise_std) prior = ParametricPrior( X_train=X_train, y_train=y_train, num_gradient_updates=num_gradient_updates, num_decays=1, num_layers=2, num_hidden=20, dropout=0.0, lr=lr ) X_test, y_test = make_random_X_y(num_examples=num_test_examples, dim=dim, noise_std=noise_std) mu_pred, sigma_pred = prior.predict(X_test) sigma_l1_error = (sigma_pred.mean() - noise_std) assert sigma_l1_error < 0.05
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A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning
A-Quantile-based-Approach-for-Hyperparameter-Transfer-Learning-master/tst/test_optimization.py
import logging import random from functools import partial import numpy as np import pytest import torch from blackbox import Blackbox, BlackboxOffline from misc import set_seed from misc.artificial_data import artificial_task1 from optimizer.gaussian_process import GP from optimizer.gaussian_process_functional_prior import G3P from optimizer.normalization_transforms import StandardTransform, GaussianTransform from optimizer.thompson_sampling_functional_prior import TS from optimizer.random_search import RS Xy_train, X_test, y_test = artificial_task1() @pytest.mark.parametrize("blackbox", [ Blackbox( input_dim=2, output_dim=1, eval_fun=lambda x: x.sum(axis=-1, keepdims=True), ), BlackboxOffline( X=X_test, y=y_test, ) ]) def test_blackbox_works_with_optimization(blackbox: Blackbox): logging.basicConfig(level=logging.INFO) seed = 3 num_evaluations = 5 optimizer_cls = RS set_seed(seed) optimizer = optimizer_cls( input_dim=blackbox.input_dim, output_dim=blackbox.output_dim, evaluations_other_tasks=Xy_train, ) candidates = X_test for i in range(num_evaluations): x = optimizer.sample(candidates) y = blackbox(x) logging.info(f"criterion {y} for arguments {x}") optimizer.observe(x=x, y=y) @pytest.mark.parametrize("optimizer_cls", [ RS, # 5 gradient updates to makes it faster as we are only smoke-checking partial(TS, num_gradient_updates=5, normalization="standard"), partial(TS, num_gradient_updates=5, normalization="gaussian"), partial(GP, normalization="standard"), partial(GP, normalization="gaussian"), partial(G3P, num_gradient_updates=5, normalization="standard"), ]) @pytest.mark.parametrize("constrained_search", [False, True]) def test_smoke_optimizers(optimizer_cls, constrained_search: bool): logging.basicConfig(level=logging.INFO) num_evaluations = 10 blackbox = Blackbox( input_dim=2, output_dim=1, eval_fun=lambda x: x.sum(axis=-1, keepdims=True), ) optimizer = optimizer_cls( input_dim=blackbox.input_dim, output_dim=blackbox.output_dim, evaluations_other_tasks=Xy_train, ) candidates = X_test for i in range(num_evaluations): if constrained_search: x = optimizer.sample(candidates) else: x = optimizer.sample() y = blackbox(x) logging.info(f"criterion {y} for arguments {x}") optimizer.observe(x=x, y=y)
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PC-JeDi
PC-JeDi-main/src/physics.py
# import jetnet import numpy as np import pytorch_lightning as pl import torch as T # FIX RANDOM SEED FOR REPRODUCIBILITY pl.seed_everything(0, workers=True) def locals_to_mass_and_pt(csts: T.Tensor, mask: T.BoolTensor) -> T.Tensor: """Calculate the overall jet pt and mass from the constituents. The constituents are expected to be expressed as: - del_eta - del_phi - log_pt """ # Calculate the constituent pt, eta and phi eta = csts[..., 0] phi = csts[..., 1] pt = csts[..., 2].exp() # Calculate the total jet values in cartensian coordinates, include mask for sum jet_px = (pt * T.cos(phi) * mask).sum(axis=-1) jet_py = (pt * T.sin(phi) * mask).sum(axis=-1) jet_pz = (pt * T.sinh(eta) * mask).sum(axis=-1) jet_e = (pt * T.cosh(eta) * mask).sum(axis=-1) # Get the derived jet values, the clamps ensure NaNs dont occur jet_pt = T.clamp_min(jet_px**2 + jet_py**2, 0).sqrt() jet_m = T.clamp_min(jet_e**2 - jet_px**2 - jet_py**2 - jet_pz**2, 0).sqrt() return T.vstack([jet_pt, jet_m]).T def numpy_locals_to_mass_and_pt( csts: np.ndarray, mask: np.ndarray, pt_logged=False, ) -> np.ndarray: """Calculate the overall jet pt and mass from the constituents. The constituents are expected to be expressed as: - del_eta - del_phi - log_pt or just pt depending on pt_logged """ # Calculate the constituent pt, eta and phi eta = csts[..., 0] phi = csts[..., 1] pt = np.exp(csts[..., 2]) * mask if pt_logged else csts[..., 2] # Calculate the total jet values in cartensian coordinates, include mask for sum jet_px = (pt * np.cos(phi) * mask).sum(axis=-1) jet_py = (pt * np.sin(phi) * mask).sum(axis=-1) jet_pz = (pt * np.sinh(eta) * mask).sum(axis=-1) jet_e = (pt * np.cosh(eta) * mask).sum(axis=-1) # Get the derived jet values, the clamps ensure NaNs dont occur jet_pt = np.sqrt(np.clip(jet_px**2 + jet_py**2, 0, None)) jet_m = np.sqrt( np.clip(jet_e**2 - jet_px**2 - jet_py**2 - jet_pz**2, 0, None) ) return np.vstack([jet_pt, jet_m]).T
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PC-JeDi
PC-JeDi-main/src/torch_utils.py
from typing import Union import numpy as np import torch as T import torch.nn as nn def get_loss_fn(name: str, **kwargs) -> nn.Module: """Return a pytorch loss function given a name.""" if name == "none": return None # Regression losses if name == "huber": return nn.HuberLoss(reduction="none") if name == "mse": return nn.MSELoss(reduction="none") if name == "mae": return nn.L1Loss(reduction="none") def to_np(inpt: Union[T.Tensor, tuple]) -> np.ndarray: """More consicse way of doing all the necc steps to convert a pytorch tensor to numpy array. - Includes gradient deletion, and device migration """ if isinstance(inpt, (tuple, list)): return type(inpt)(to_np(x) for x in inpt) if inpt.dtype == T.bfloat16: # Numpy conversions don't support bfloat16s inpt = inpt.half() return inpt.detach().cpu().numpy()
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PC-JeDi
PC-JeDi-main/src/hydra_utils.py
"""A collection of misculaneous functions usefull for the lighting/hydra template.""" import logging import os from pathlib import Path from typing import Any, List, Sequence import hydra import rich import rich.syntax import rich.tree import wandb from omegaconf import DictConfig, OmegaConf from pytorch_lightning import LightningModule, Trainer from pytorch_lightning.utilities.rank_zero import rank_zero_only log = logging.getLogger(__name__) @rank_zero_only def reload_original_config(cfg: OmegaConf, get_best: bool = False) -> OmegaConf: """Replaces the cfg with the one stored at the checkpoint location. Will also set the chkpt_dir to the latest version of the last or best checkpoint """ # Load the original config found in the the file directory orig_cfg = OmegaConf.load(Path("full_config.yaml")) # Get the latest updated checkpoint with the prefix last or best flag = "best" if get_best else "last" orig_cfg.ckpt_path = str( sorted(Path.cwd().glob(f"checkpoints/{flag}*.ckpt"), key=os.path.getmtime)[-1] ) # Set the wandb logger to attempt to resume the job if hasattr(orig_cfg, "loggers"): if hasattr(orig_cfg.loggers, "wandb"): orig_cfg.loggers.wandb.resume = True return orig_cfg @rank_zero_only def print_config( cfg: DictConfig, print_order: Sequence[str] = ( "datamodule", "model", "callbacks", "loggers", "trainer", "paths", ), resolve: bool = True, ) -> None: """Prints content of DictConfig using Rich library and its tree structure. Args: cfg: Configuration composed by Hydra. print_order: Determines in what order config components are printed. resolve: Whether to resolve reference fields of DictConfig. save_to_file: Whether to export config to the hydra output folder. """ style = "dim" tree = rich.tree.Tree("CONFIG", style=style, guide_style=style) queue = [] # add fields from `print_order` to queue for field in print_order: queue.append(field) if field in cfg else log.warning( f"Field '{field}' not found in config. Skipping '{field}' printing..." ) # add all the other fields to queue (not specified in `print_order`) for field in cfg: if field not in queue: queue.insert(0, field) # generate config tree from queue for field in queue: branch = tree.add(field, style=style, guide_style=style) config_group = cfg[field] if isinstance(config_group, DictConfig): branch_content = OmegaConf.to_yaml(config_group, resolve=resolve) else: branch_content = str(config_group) branch.add(rich.syntax.Syntax(branch_content, "yaml")) # print config tree rich.print(tree) def save_config(cfg: OmegaConf) -> None: """Saves the config to the output directory. This is necc ontop of hydra's default conf.yaml as it will resolve the entries allowing one to resume jobs identically with elements such as ${now:%H-%M-%S}. Furthermore, hydra does not allow resuming a previous job from the same dir. The work around is reload_original_config but that will fail as hydra overwites the default config.yaml file on startup, so this backup is needed for resuming. """ # In order to be able to resume the wandb logger session, save the run id if hasattr(cfg, "loggers"): if hasattr(cfg.loggers, "wandb"): if wandb.run is not None: cfg.loggers.wandb.id = wandb.run.id # save config tree to file OmegaConf.save(cfg, Path(cfg.paths.full_path, "full_config.yaml"), resolve=True) @rank_zero_only def log_hyperparameters( cfg: DictConfig, model: LightningModule, trainer: Trainer ) -> None: """Passes the config dict to the trainer's logger, also calculates # params.""" # Convert the config object to a hyperparameter dict hparams = OmegaConf.to_container(cfg, resolve=True) # calculate the number of trainable parameters in the model and add it hparams["model/params/total"] = sum(p.numel() for p in model.parameters()) hparams["model/params/trainable"] = sum( p.numel() for p in model.parameters() if p.requires_grad ) hparams["model/params/non_trainable"] = sum( p.numel() for p in model.parameters() if not p.requires_grad ) trainer.logger.log_hyperparams(hparams) def instantiate_collection(cfg_coll: DictConfig) -> List[Any]: """Uses hydra to instantiate a collection of classes and return a list.""" objs = [] if not cfg_coll: log.warning("List of configs is empty") return objs if not isinstance(cfg_coll, DictConfig): raise TypeError("List of configs must be a DictConfig!") for _, cb_conf in cfg_coll.items(): if isinstance(cb_conf, DictConfig) and "_target_" in cb_conf: log.info(f"Instantiating <{cb_conf._target_}>") objs.append(hydra.utils.instantiate(cb_conf)) return objs
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PC-JeDi
PC-JeDi-main/src/datamodules/jetnet.py
from copy import deepcopy from typing import Mapping import numpy as np from jetnet.datasets import JetNet from pytorch_lightning import LightningDataModule from torch.utils.data import DataLoader, Dataset from src.numpy_utils import log_squash from src.physics import numpy_locals_to_mass_and_pt class JetNetData(Dataset): """Wrapper for the JetNet dataset so it works with our models with different inputs.""" def __init__(self, **kwargs) -> None: # Extra arguments used here self.log_squash_pt = kwargs.pop("log_squash_pt", False) self.high_as_context = kwargs.pop("high_as_context", True) self.recalc_high = kwargs.pop("recalculate_jet_from_pc", True) self.n_jets = kwargs.pop("n_jets", None) # All other arguments passed to the jetnet dataset constructor self.csts, self.high = JetNet.getData(**kwargs) self.csts = self.csts.astype(np.float32) self.high = self.high.astype(np.float32) # Trim the data based on the requested number of jets (None does nothing) self.csts = self.csts[: self.n_jets].astype(np.float32) self.high = self.high[: self.n_jets].astype(np.float32) # Manually calculate the mask by looking for zero padding self.mask = ~np.all(self.csts == 0, axis=-1) # Change the constituent information from pt-fraction to pure pt csts = self.csts.copy() csts[..., -1] = csts[..., -1] * self.high[..., 0:1] # Recalculate the jet mass and pt using the point cloud if self.recalc_high: self.high = numpy_locals_to_mass_and_pt(csts, self.mask) # Change the pt fraction to log_squash(pt) if self.log_squash_pt: self.csts[..., -1] = log_squash(csts[..., -1]) * self.mask def __getitem__(self, idx) -> tuple: csts = self.csts[idx] high = self.high[idx] if self.high_as_context else np.empty(0, dtype="f") mask = self.mask[idx] return csts, mask, high def __len__(self) -> int: return len(self.high) class JetNetDataModule(LightningDataModule): def __init__( self, *, data_conf: Mapping, loader_kwargs: Mapping, ) -> None: super().__init__() self.save_hyperparameters(logger=False) # Get the dimensions of the data from the config file self.dim = len(data_conf["particle_features"]) self.n_nodes = data_conf["num_particles"] if data_conf["high_as_context"]: self.ctxt_dim = len(data_conf["jet_features"]) else: self.ctxt_dim = 0 def setup(self, stage: str) -> None: """Sets up the relevant datasets.""" if stage == "fit": self.train_set = JetNetData(**self.hparams.data_conf, split="train") self.valid_set = JetNetData(**self.hparams.data_conf, split="test") if stage == "test": self.test_set = JetNetData(**self.hparams.data_conf, split="test") def train_dataloader(self) -> DataLoader: return DataLoader(self.train_set, **self.hparams.loader_kwargs, shuffle=True) def val_dataloader(self) -> DataLoader: return DataLoader(self.valid_set, **self.hparams.loader_kwargs, shuffle=False) def test_dataloader(self) -> DataLoader: test_kwargs = deepcopy(self.hparams.loader_kwargs) test_kwargs["drop_last"] = False return DataLoader(self.test_set, **test_kwargs, shuffle=False)
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PC-JeDi
PC-JeDi-main/src/models/diffusion.py
import math from typing import Optional, Tuple import torch as T from tqdm import tqdm class VPDiffusionSchedule: def __init__(self, max_sr: float = 1, min_sr: float = 1e-2) -> None: self.max_sr = max_sr self.min_sr = min_sr def __call__(self, time: T.Tensor) -> T.Tensor: return cosine_diffusion_shedule(time, self.max_sr, self.min_sr) def get_betas(self, time: T.Tensor) -> T.Tensor: return cosine_beta_shedule(time, self.max_sr, self.min_sr) def cosine_diffusion_shedule( diff_time: T.Tensor, max_sr: float = 1, min_sr: float = 1e-2 ) -> Tuple[T.Tensor, T.Tensor]: """Calculates the signal and noise rate for any point in the diffusion processes. Using continuous diffusion times between 0 and 1 which make switching between different numbers of diffusion steps between training and testing much easier. Returns only the values needed for the jump forward diffusion step and the reverse DDIM step. These are sqrt(alpha_bar) and sqrt(1-alphabar) which are called the signal_rate and noise_rate respectively. The jump forward diffusion process is simply a weighted sum of: input * signal_rate + eps * noise_rate Uses a cosine annealing schedule as proposed in Proposed in https://arxiv.org/abs/2102.09672 Args: diff_time: The time used to sample the diffusion scheduler Output will match the shape Must be between 0 and 1 max_sr: The initial rate at the first step min_sr: How much signal is preserved at end of diffusion (can't be zero due to log) """ # Use cosine annealing, which requires switching from times -> angles start_angle = math.acos(max_sr) end_angle = math.acos(min_sr) diffusion_angles = start_angle + diff_time * (end_angle - start_angle) signal_rates = T.cos(diffusion_angles) noise_rates = T.sin(diffusion_angles) return signal_rates, noise_rates def cosine_beta_shedule( diff_time: T.Tensor, max_sr: float = 1, min_sr: float = 1e-2 ) -> T.Tensor: """Returns the beta values for the continuous flows using the above cosine scheduler.""" start_angle = math.acos(max_sr) end_angle = math.acos(min_sr) diffusion_angles = start_angle + diff_time * (end_angle - start_angle) return 2 * (end_angle - start_angle) * T.tan(diffusion_angles) def ddim_predict( noisy_data: T.Tensor, pred_noises: T.Tensor, signal_rates: T.Tensor, noise_rates: T.Tensor, ) -> T.Tensor: """Use a single ddim step to predict the final image from anywhere in the diffusion process.""" return (noisy_data - noise_rates * pred_noises) / signal_rates @T.no_grad() def ddim_sampler( model, diff_sched: VPDiffusionSchedule, initial_noise: T.Tensor, n_steps: int = 50, keep_all: bool = False, mask: Optional[T.Tensor] = None, ctxt: Optional[T.BoolTensor] = None, clip_predictions: Optional[tuple] = None, ) -> Tuple[T.Tensor, list]: """Apply the DDIM sampling process to generate a batch of samples from noise. Args: model: A denoising diffusion model Requires: inpt_dim, device, forward() method that outputs pred noise diif_sched: A diffusion schedule object to calculate signal and noise rates initial_noise: The initial noise to pass through the process If none it will be generated here n_steps: The number of iterations to generate the samples keep_all: Return all stages of diffusion process Can be memory heavy for large batches num_samples: How many samples to generate Ignored if initial_noise is provided mask: The mask for the output point clouds ctxt: The context tensor for the output point clouds clip_predictions: Can stabalise generation by clipping the outputs """ # Get the initial noise for generation and the number of sammples num_samples = initial_noise.shape[0] # The shape needed for expanding the time encodings expanded_shape = [-1] + [1] * (initial_noise.dim() - 1) # Check the input argument for the n_steps, must be less than what was trained all_stages = [] step_size = 1 / n_steps # The initial variables needed for the loop noisy_data = initial_noise diff_times = T.ones(num_samples, device=model.device) next_signal_rates, next_noise_rates = diff_sched(diff_times.view(expanded_shape)) for step in tqdm(range(n_steps), "DDIM-sampling", leave=False): # Update with the previous 'next' step signal_rates = next_signal_rates noise_rates = next_noise_rates # Keep track of the diffusion evolution if keep_all: all_stages.append(noisy_data) # Apply the denoise step to get X_0 and expected noise pred_noises = model(noisy_data, diff_times, mask, ctxt) pred_data = ddim_predict(noisy_data, pred_noises, signal_rates, noise_rates) # Get the next predicted components using the next signal and noise rates diff_times = diff_times - step_size next_signal_rates, next_noise_rates = diff_sched( diff_times.view(expanded_shape) ) # Clamp the predicted X_0 for stability if clip_predictions is not None: pred_data.clamp_(*clip_predictions) # Remix the predicted components to go from estimated X_0 -> X_{t-1} noisy_data = next_signal_rates * pred_data + next_noise_rates * pred_noises return pred_data, all_stages @T.no_grad() def euler_maruyama_sampler( model, diff_sched: VPDiffusionSchedule, initial_noise: T.Tensor, n_steps: int = 50, keep_all: bool = False, mask: Optional[T.Tensor] = None, ctxt: Optional[T.BoolTensor] = None, clip_predictions: Optional[tuple] = None, ) -> Tuple[T.Tensor, list]: """Apply the full reverse process to noise to generate a batch of samples.""" # Get the initial noise for generation and the number of sammples num_samples = initial_noise.shape[0] # The shape needed for expanding the time encodings expanded_shape = [-1] + [1] * (initial_noise.dim() - 1) # Check the input argument for the n_steps, must be less than what was trained all_stages = [] delta_t = 1 / n_steps # The initial variables needed for the loop x_t = initial_noise t = T.ones(num_samples, device=model.device) for step in tqdm(range(n_steps), "Euler-Maruyama-sampling", leave=False): # Use the model to get the expected noise pred_noises = model(x_t, t, mask, ctxt) # Use to get s_theta _, noise_rates = diff_sched(t.view(expanded_shape)) s = -pred_noises / noise_rates # Take one step using the em method betas = diff_sched.get_betas(t.view(expanded_shape)) x_t += 0.5 * betas * (x_t + 2 * s) * delta_t x_t += (betas * delta_t).sqrt() * T.randn_like(x_t) t -= delta_t # Keep track of the diffusion evolution if keep_all: all_stages.append(x_t) # Clamp the denoised data for stability if clip_predictions is not None: x_t.clamp_(*clip_predictions) return x_t, all_stages @T.no_grad() def euler_sampler( model, diff_sched: VPDiffusionSchedule, initial_noise: T.Tensor, n_steps: int = 50, keep_all: bool = False, mask: Optional[T.Tensor] = None, ctxt: Optional[T.BoolTensor] = None, clip_predictions: Optional[tuple] = None, ) -> Tuple[T.Tensor, list]: """Apply the full reverse process to noise to generate a batch of samples.""" # Get the initial noise for generation and the number of sammples num_samples = initial_noise.shape[0] # The shape needed for expanding the time encodings expanded_shape = [-1] + [1] * (initial_noise.dim() - 1) # Check the input argument for the n_steps, must be less than what was trained all_stages = [] delta_t = 1 / n_steps # The initial variables needed for the loop t = T.ones(num_samples, device=model.device) signal_rates, noise_rates = diff_sched(t.view(expanded_shape)) x_t = initial_noise * (signal_rates + noise_rates) for step in tqdm(range(n_steps), "Euler-sampling", leave=False): # Take a step using the euler method and the gradient calculated by the ode x_t += get_ode_gradient(model, diff_sched, x_t, t, mask, ctxt) * delta_t t -= delta_t # Keep track of the diffusion evolution if keep_all: all_stages.append(x_t) # Clamp the denoised data for stability if clip_predictions is not None: x_t.clamp_(*clip_predictions) return x_t, all_stages @T.no_grad() def runge_kutta_sampler( model, diff_sched: VPDiffusionSchedule, initial_noise: T.Tensor, n_steps: int = 50, keep_all: bool = False, mask: Optional[T.Tensor] = None, ctxt: Optional[T.BoolTensor] = None, clip_predictions: Optional[tuple] = None, ) -> Tuple[T.Tensor, list]: """Apply the full reverse process to noise to generate a batch of samples.""" # Get the initial noise for generation and the number of sammples num_samples = initial_noise.shape[0] # Check the input argument for the n_steps, must be less than what was trained all_stages = [] delta_t = 1 / n_steps # Wrap the ode gradient in a lambda function depending only on xt and t ode_grad = lambda t, x_t: get_ode_gradient(model, diff_sched, x_t, t, mask, ctxt) # The initial variables needed for the loop x_t = initial_noise t = T.ones(num_samples, device=model.device) for step in tqdm(range(n_steps), "Runge-Kutta-sampling", leave=False): k1 = delta_t * (ode_grad(t, x_t)) k2 = delta_t * (ode_grad((t - delta_t / 2), (x_t + k1 / 2))) k3 = delta_t * (ode_grad((t - delta_t / 2), (x_t + k2 / 2))) k4 = delta_t * (ode_grad((T.clamp_min(t - delta_t, 0)), (x_t + k3))) k = (k1 + 2 * k2 + 2 * k3 + k4) / 6 x_t += k t -= delta_t # Keep track of the diffusion evolution if keep_all: all_stages.append(x_t) # Clamp the denoised data for stability if clip_predictions is not None: x_t.clamp_(*clip_predictions) return x_t, all_stages def get_ode_gradient( model, diff_sched: VPDiffusionSchedule, x_t: T.Tensor, t: T.Tensor, mask: Optional[T.BoolTensor] = None, ctxt: Optional[T.Tensor] = None, ) -> T.Tensor: expanded_shape = [-1] + [1] * (x_t.dim() - 1) _, noise_rates = diff_sched(t.view(expanded_shape)) betas = diff_sched.get_betas(t.view(expanded_shape)) return 0.5 * betas * (x_t - model(x_t, t, mask, ctxt) / noise_rates) def run_sampler(sampler: str, *args, **kwargs) -> Tuple[T.Tensor, list]: if sampler == "em": return euler_maruyama_sampler(*args, **kwargs) if sampler == "euler": return euler_sampler(*args, **kwargs) if sampler == "rk": return runge_kutta_sampler(*args, **kwargs) if sampler == "ddim": return ddim_sampler(*args, **kwargs) raise RuntimeError(f"Unknown sampler: {sampler}")
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PC-JeDi
PC-JeDi-main/src/models/transformers.py
"""Some classes to describe transformer architectures.""" import math from typing import Mapping, Optional, Union import torch as T import torch.nn as nn from torch.nn.functional import dropout, softmax from .modules import DenseNetwork def merge_masks( q_mask: Union[T.BoolTensor, None], kv_mask: Union[T.BoolTensor, None], attn_mask: Union[T.BoolTensor, None], q_shape: T.Size, k_shape: T.Size, device: T.device, ) -> Union[None, T.BoolTensor]: """Create a full attention mask which incoporates the padding information.""" # Create the full mask which combines the attention and padding masks merged_mask = None # If either pad mask exists, create if q_mask is not None or kv_mask is not None: if q_mask is None: q_mask = T.full(q_shape[:-1], True, device=device) if kv_mask is None: kv_mask = T.full(k_shape[:-1], True, device=device) merged_mask = q_mask.unsqueeze(-1) & kv_mask.unsqueeze(-2) # If attention mask exists, create if attn_mask is not None: merged_mask = attn_mask if merged_mask is None else attn_mask & merged_mask return merged_mask def attention( query: T.Tensor, key: T.Tensor, value: T.Tensor, dim_key: int, attn_mask: Optional[T.BoolTensor] = None, attn_bias: Optional[T.Tensor] = None, drp: float = 0.0, training: bool = True, ) -> T.Tensor: """Apply the attention using the scaled dot product between the key query and key tensors, then matrix multiplied by the value. Note that the attention scores are ordered in recv x send, which is the opposite to how I usually do it for the graph network, which is send x recv We use masked fill -T.inf as this kills the padded key/values elements but introduces nans for padded query elements. We could used a very small number like -1e9 but this would need to scale with if we are using half precision. Args: query: Batched query sequence of tensors (b, h, s, f) key: Batched key sequence of tensors (b, h, s, f) value: Batched value sequence of tensors (b, h, s, f) dim_key: The dimension of the key features, used to scale the dot product attn_mask: The attention mask, used to blind certain combinations of k,q pairs attn_bias: Extra weights to combine with attention weights drp: Dropout probability training: If the model is in training mode, effects the dropout applied """ # Perform the matrix multiplication scores = T.matmul(query, key.transpose(-2, -1)) / math.sqrt(dim_key) # Add the bias terms if present if attn_bias is not None: # Move the head dimension to the first scores = scores + attn_bias.permute(0, 3, 1, 2) # Mask away the scores between invalid elements in sequence if attn_mask is not None: scores = scores.masked_fill(~attn_mask.unsqueeze(-3), -T.inf) # Apply the softmax function per head feature scores = softmax(scores, dim=-1) # Kill the nans introduced by the padded query elements scores = T.nan_to_num(scores, 0) # Apply dropout to the attention scores scores = dropout(scores, p=drp, training=training) # Finally multiply these scores by the output scores = T.matmul(scores, value) return scores class MultiHeadedAttentionBlock(nn.Module): """Generic Multiheaded Attention. Takes in three sequences with dim: (batch, sqeuence, features) - q: The primary sequence queries (determines output sequence length) - k: The attending sequence keys (determines incoming information) - v: The attending sequence values In a message passing sense you can think of q as your receiver nodes, v and k are the information coming from the sender nodes. When q == k(and v) this is a SELF attention operation When q != k(and v) this is a CROSS attention operation === Block operations: 1) Uses three linear layers to project the sequences. - q = q_linear * q - k = k_linear * k - v = v_linear * v 2) Outputs are reshaped to add a head dimension, and transposed for matmul. - features = model_dim = head_dim * num_heads - dim becomes: batch, num_heads, sequence, head_dim 3) Passes these through to the attention module (message passing) - In standard transformers this is the scaled dot product attention - Also takes additional dropout layer to mask the attention 4) Flatten out the head dimension and pass through final linear layer - results are same as if attention was done seperately for each head and concat - dim: batch, q_seq, head_dim * num_heads """ def __init__( self, model_dim: int, num_heads: int = 1, drp: float = 0, ) -> None: """ Args: model_dim: The dimension of the model num_heads: The number of different attention heads to process in parallel - Must allow interger division into model_dim drp: The dropout probability used in the MHA operation """ super().__init__() # Define model base attributes self.model_dim = model_dim self.num_heads = num_heads self.head_dim = model_dim // num_heads # Check that the dimension of each head makes internal sense if self.head_dim * num_heads != model_dim: raise ValueError("Model dimension must be divisible by number of heads!") # Initialise the weight matrices self.q_linear = nn.Linear(model_dim, model_dim) self.k_linear = nn.Linear(model_dim, model_dim) self.v_linear = nn.Linear(model_dim, model_dim) self.out_linear = nn.Linear(model_dim, model_dim) self.drp = drp def forward( self, q: T.Tensor, k: Optional[T.Tensor] = None, v: Optional[T.Tensor] = None, q_mask: Optional[T.BoolTensor] = None, kv_mask: Optional[T.BoolTensor] = None, attn_mask: Optional[T.BoolTensor] = None, attn_bias: Optional[T.Tensor] = None, ) -> T.Tensor: """ Args: q: The main sequence queries (determines the output length) k: The incoming information keys v: The incoming information values q_mask: Shows which elements of the main sequence are real kv_mask: Shows which elements of the attn sequence are real attn_mask: Extra mask for the attention matrix (eg: look ahead) attn_bias: Extra bias term for the attention matrix (eg: edge features) """ # If only q and q_mask are provided then we automatically apply self attention if k is None: k = q if kv_mask is None: kv_mask = q_mask v = v if v is not None else k # Store the batch size, useful for reshaping b_size, seq, feat = q.shape # Work out the masking situation, with padding, no peaking etc attn_mask = merge_masks(q_mask, kv_mask, attn_mask, q.shape, k.shape, q.device) # Generate the q, k, v projections, break final head dimension in 2 shape = (b_size, -1, self.num_heads, self.head_dim) q = self.q_linear(q).view(shape) k = self.k_linear(k).view(shape) v = self.v_linear(v).view(shape) # Transpose to get dimensions: B,H,Seq,HD (required for matmul) q = q.transpose(1, 2) k = k.transpose(1, 2) v = v.transpose(1, 2) # Calculate the new sequence values, for memory reasons overwrite q q = attention( q, k, v, self.head_dim, attn_mask=attn_mask, attn_bias=attn_bias, drp=self.drp, training=self.training, ) # Returned shape is B,H,Q_seq,HD # Concatenate the all of the heads together to get shape: B,Seq,F q = q.transpose(1, 2).contiguous().view(b_size, -1, self.model_dim) # Pass through final linear layer q = self.out_linear(q) return q class TransformerEncoderLayer(nn.Module): """A transformer encoder layer based on the GPT-2+Normformer style arcitecture. We choose Normformer as it has often proved to be the most stable to train https://arxiv.org/abs/2210.06423 https://arxiv.org/abs/2110.09456 It contains: - Multihead(self)Attention block - A dense network Layernorm is applied before each operation Residual connections are used to bypass each operation """ def __init__( self, model_dim: int, mha_config: Optional[Mapping] = None, dense_config: Optional[Mapping] = None, ctxt_dim: int = 0, ) -> None: """ Args: model_dim: The embedding dimensio of the transformer block mha_config: Keyword arguments for multiheaded-attention block dense_config: Keyword arguments for feed forward network ctxt_dim: Context dimension, """ super().__init__() mha_config = mha_config or {} dense_config = dense_config or {} self.model_dim = model_dim self.ctxt_dim = ctxt_dim # The basic blocks self.self_attn = MultiHeadedAttentionBlock(model_dim, **mha_config) self.dense = DenseNetwork( model_dim, outp_dim=model_dim, ctxt_dim=ctxt_dim, **dense_config ) # The normalisation layers (lots from NormFormer) self.norm1 = nn.LayerNorm(model_dim) self.norm2 = nn.LayerNorm(model_dim) self.norm3 = nn.LayerNorm(model_dim) def forward( self, x: T.Tensor, mask: Optional[T.BoolTensor] = None, ctxt: Optional[T.Tensor] = None, attn_bias: Optional[T.Tensor] = None, attn_mask: Optional[T.BoolTensor] = None, ) -> T.Tensor: "Pass through the layer using residual connections and layer normalisation" x = x + self.norm2( self.self_attn( self.norm1(x), q_mask=mask, attn_mask=attn_mask, attn_bias=attn_bias ) ) x = x + self.dense(self.norm3(x), ctxt) return x class TransformerEncoder(nn.Module): """A stack of N transformer encoder layers followed by a final normalisation step. Sequence -> Sequence """ def __init__( self, model_dim: int = 64, num_layers: int = 3, mha_config: Optional[Mapping] = None, dense_config: Optional[Mapping] = None, ctxt_dim: int = 0, ) -> None: """ Args: model_dim: Feature sieze for input, output, and all intermediate layers num_layers: Number of encoder layers used mha_config: Keyword arguments for the mha block dense_config: Keyword arguments for the dense network in each layer ctxt_dim: Dimension of the context inputs """ super().__init__() self.model_dim = model_dim self.num_layers = num_layers self.layers = nn.ModuleList( [ TransformerEncoderLayer(model_dim, mha_config, dense_config, ctxt_dim) for _ in range(num_layers) ] ) self.final_norm = nn.LayerNorm(model_dim) def forward(self, x: T.Tensor, **kwargs) -> T.Tensor: """Pass the input through all layers sequentially.""" for layer in self.layers: x = layer(x, **kwargs) return self.final_norm(x) class FullTransformerEncoder(nn.Module): """A transformer encoder with added input and output embedding networks. Sequence -> Sequence """ def __init__( self, inpt_dim: int, outp_dim: int, edge_dim: int = 0, ctxt_dim: int = 0, te_config: Optional[Mapping] = None, node_embd_config: Optional[Mapping] = None, outp_embd_config: Optional[Mapping] = None, edge_embd_config: Optional[Mapping] = None, ctxt_embd_config: Optional[Mapping] = None, ) -> None: """ Args: inpt_dim: Dim. of each element of the sequence outp_dim: Dim. of of the final output vector edge_dim: Dim. of the input edge features ctxt_dim: Dim. of the context vector to pass to the embedding nets te_config: Keyword arguments to pass to the TVE constructor node_embd_config: Keyword arguments for node dense embedder outp_embd_config: Keyword arguments for output dense embedder edge_embd_config: Keyword arguments for edge dense embedder ctxt_embd_config: Keyword arguments for context dense embedder """ super().__init__() self.inpt_dim = inpt_dim self.outp_dim = outp_dim self.ctxt_dim = ctxt_dim self.edge_dim = edge_dim te_config = te_config or {} node_embd_config = node_embd_config or {} outp_embd_config = outp_embd_config or {} edge_embd_config = edge_embd_config or {} # Initialise the context embedding network (optional) if self.ctxt_dim: self.ctxt_emdb = DenseNetwork( inpt_dim=self.ctxt_dim, **ctxt_embd_config, ) self.ctxt_out = self.ctxt_emdb.outp_dim else: self.ctxt_out = 0 # Initialise the TVE, the main part of this network self.te = TransformerEncoder(**te_config, ctxt_dim=self.ctxt_out) self.model_dim = self.te.model_dim # Initialise all embedding networks self.node_embd = DenseNetwork( inpt_dim=self.inpt_dim, outp_dim=self.model_dim, ctxt_dim=self.ctxt_out, **node_embd_config, ) self.outp_embd = DenseNetwork( inpt_dim=self.model_dim, outp_dim=self.outp_dim, ctxt_dim=self.ctxt_out, **outp_embd_config, ) # Initialise the edge embedding network (optional) if self.edge_dim: self.edge_embd = DenseNetwork( inpt_dim=self.edge_dim, outp_dim=self.te.layers[0].self_attn.num_heads, ctxt_dim=self.ctxt_out, **edge_embd_config, ) def forward( self, x: T.Tensor, mask: Optional[T.BoolTensor] = None, ctxt: Optional[T.Tensor] = None, attn_bias: Optional[T.Tensor] = None, attn_mask: Optional[T.BoolTensor] = None, ) -> T.Tensor: """Pass the input through all layers sequentially.""" if self.ctxt_dim: ctxt = self.ctxt_emdb(ctxt) if self.edge_dim: attn_bias = self.edge_embd(attn_bias, ctxt) x = self.node_embd(x, ctxt) x = self.te(x, mask=mask, ctxt=ctxt, attn_bias=attn_bias, attn_mask=attn_mask) x = self.outp_embd(x, ctxt) return x
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PC-JeDi
PC-JeDi-main/src/models/schedulers.py
from torch.optim import Optimizer from torch.optim.lr_scheduler import _LRScheduler class WarmupToConstant(_LRScheduler): """Gradually warm-up learning rate in optimizer to a constant value.""" def __init__(self, optimizer: Optimizer, num_steps: int = 100) -> None: """ args: optimizer (Optimizer): Wrapped optimizer. num_steps: target learning rate is reached at num_steps. """ self.num_steps = num_steps self.finished = False super().__init__(optimizer) def get_lr(self) -> list[float]: if self.last_epoch > self.num_steps: return [base_lr for base_lr in self.base_lrs] return [ (base_lr / self.num_steps) * self.last_epoch for base_lr in self.base_lrs ]
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PC-JeDi
PC-JeDi-main/src/models/modules.py
"""Collection of pytorch modules that make up the networks.""" import math from typing import Optional, Union import torch as T import torch.nn as nn def get_act(name: str) -> nn.Module: """Return a pytorch activation function given a name.""" if name == "relu": return nn.ReLU() if name == "lrlu": return nn.LeakyReLU(0.1) if name == "silu" or name == "swish": return nn.SiLU() if name == "selu": return nn.SELU() if name == "softmax": return nn.Softmax() if name == "gelu": return nn.GELU() if name == "tanh": return nn.Tanh() if name == "softmax": return nn.Softmax() if name == "sigmoid": return nn.Sigmoid() raise ValueError("No activation function with name: ", name) def get_nrm(name: str, outp_dim: int) -> nn.Module: """Return a 1D pytorch normalisation layer given a name and a output size Returns None object if name is none.""" if name == "batch": return nn.BatchNorm1d(outp_dim) if name == "layer": return nn.LayerNorm(outp_dim) if name == "none": return None else: raise ValueError("No normalistation with name: ", name) class MLPBlock(nn.Module): """A simple MLP block that makes up a dense network. Made up of several layers containing: - linear map - activation function [Optional] - layer normalisation [Optional] - dropout [Optional] Only the input of the block is concatentated with context information. For residual blocks, the input is added to the output of the final layer. """ def __init__( self, inpt_dim: int, outp_dim: int, ctxt_dim: int = 0, n_layers: int = 1, act: str = "lrlu", nrm: str = "none", drp: float = 0, do_res: bool = False, ) -> None: """Init method for MLPBlock. Parameters ---------- inpt_dim : int The number of features for the input layer outp_dim : int The number of output features ctxt_dim : int, optional The number of contextual features to concat to the inputs, by default 0 n_layers : int, optional1 A string indicating the name of the activation function, by default 1 act : str, optional A string indicating the name of the normalisation, by default "lrlu" nrm : str, optional The dropout probability, 0 implies no dropout, by default "none" drp : float, optional Add to previous output, only if dim does not change, by default 0 do_res : bool, optional The number of transform layers in this block, by default False """ super().__init__() # Save the input and output dimensions of the module self.inpt_dim = inpt_dim self.outp_dim = outp_dim self.ctxt_dim = ctxt_dim # If this layer includes an additive residual connection self.do_res = do_res and (inpt_dim == outp_dim) # Initialise the block layers as a module list self.block = nn.ModuleList() for n in range(n_layers): # Increase the input dimension of the first layer to include context lyr_in = inpt_dim + ctxt_dim if n == 0 else outp_dim # Linear transform, activation, normalisation, dropout self.block.append(nn.Linear(lyr_in, outp_dim)) if act != "none": self.block.append(get_act(act)) if nrm != "none": self.block.append(get_nrm(nrm, outp_dim)) if drp > 0: self.block.append(nn.Dropout(drp)) def forward(self, inpt: T.Tensor, ctxt: Optional[T.Tensor] = None) -> T.Tensor: """ args: tensor: Pytorch tensor to pass through the network ctxt: The conditioning tensor, can be ignored """ # Concatenate the context information to the input of the block if self.ctxt_dim and ctxt is None: raise ValueError( "Was expecting contextual information but none has been provided!" ) temp = T.cat([inpt, ctxt], dim=-1) if self.ctxt_dim else inpt # Pass through each transform in the block for layer in self.block: temp = layer(temp) # Add the original inputs again for the residual connection if self.do_res: temp = temp + inpt return temp def __repr__(self) -> str: """Generate a one line string summing up the components of the block.""" string = str(self.inpt_dim) if self.ctxt_dim: string += f"({self.ctxt_dim})" string += "->" string += "->".join([str(b).split("(", 1)[0] for b in self.block]) string += "->" + str(self.outp_dim) if self.do_res: string += "(add)" return string class DenseNetwork(nn.Module): """A dense neural network made from a series of consecutive MLP blocks and context injection layers.""" def __init__( self, inpt_dim: int, outp_dim: int = 0, ctxt_dim: int = 0, hddn_dim: Union[int, list] = 32, num_blocks: int = 1, n_lyr_pbk: int = 1, act_h: str = "lrlu", act_o: str = "none", do_out: bool = True, nrm: str = "none", drp: float = 0, do_res: bool = False, ctxt_in_inpt: bool = True, ctxt_in_hddn: bool = False, ) -> None: """Initialise the DenseNetwork. Parameters ---------- inpt_dim : int The number of input neurons outp_dim : int, optional The number of output neurons. If none it will take from inpt or hddn, by default 0 ctxt_dim : int, optional The number of context features. The context feature use is determined by ctxt_type, by default 0 hddn_dim : Union[int, list], optional The width of each hidden block. If a list it overides depth, by default 32 num_blocks : int, optional The number of hidden blocks, can be overwritten by hddn_dim, by default 1 n_lyr_pbk : int, optional The number of transform layers per hidden block, by default 1 act_h : str, optional The name of the activation function to apply in the hidden blocks, by default "lrlu" act_o : str, optional The name of the activation function to apply to the outputs, by default "none" do_out : bool, optional If the network has a dedicated output block, by default True nrm : str, optional Type of normalisation (layer or batch) in each hidden block, by default "none" drp : float, optional Dropout probability for hidden layers (0 means no dropout), by default 0 do_res : bool, optional Use resisdual-connections between hidden blocks (only if same size), by default False ctxt_in_inpt : bool, optional Include the ctxt tensor in the input block, by default True ctxt_in_hddn : bool, optional Include the ctxt tensor in the hidden blocks, by default False Raises ------ ValueError If the network was given a context input but both ctxt_in_inpt and ctxt_in_hddn were False """ super().__init__() # Check that the context is used somewhere if ctxt_dim: if not ctxt_in_hddn and not ctxt_in_inpt: raise ValueError("Network has context inputs but nowhere to use them!") # We store the input, hddn (list), output, and ctxt dims to query them later self.inpt_dim = inpt_dim if not isinstance(hddn_dim, int): self.hddn_dim = hddn_dim else: self.hddn_dim = num_blocks * [hddn_dim] self.outp_dim = outp_dim or inpt_dim if do_out else self.hddn_dim[-1] self.num_blocks = len(self.hddn_dim) self.ctxt_dim = ctxt_dim self.do_out = do_out # Necc for this module to work with the nflows package self.hidden_features = self.hddn_dim[-1] # Input MLP block self.input_block = MLPBlock( inpt_dim=self.inpt_dim, outp_dim=self.hddn_dim[0], ctxt_dim=self.ctxt_dim if ctxt_in_inpt else 0, act=act_h, nrm=nrm, drp=drp, ) # All hidden blocks as a single module list self.hidden_blocks = [] if self.num_blocks > 1: self.hidden_blocks = nn.ModuleList() for h_1, h_2 in zip(self.hddn_dim[:-1], self.hddn_dim[1:]): self.hidden_blocks.append( MLPBlock( inpt_dim=h_1, outp_dim=h_2, ctxt_dim=self.ctxt_dim if ctxt_in_hddn else 0, n_layers=n_lyr_pbk, act=act_h, nrm=nrm, drp=drp, do_res=do_res, ) ) # Output block (optional and there is no normalisation, dropout or context) if do_out: self.output_block = MLPBlock( inpt_dim=self.hddn_dim[-1], outp_dim=self.outp_dim, act=act_o, ) def forward(self, inputs: T.Tensor, ctxt: Optional[T.Tensor] = None) -> T.Tensor: """Pass through all layers of the dense network.""" # Reshape the context if it is available if ctxt is not None: dim_diff = inputs.dim() - ctxt.dim() if dim_diff > 0: ctxt = ctxt.view(ctxt.shape[0], *dim_diff * (1,), *ctxt.shape[1:]) ctxt = ctxt.expand(*inputs.shape[:-1], -1) # Pass through the input block inputs = self.input_block(inputs, ctxt) # Pass through each hidden block for h_block in self.hidden_blocks: # Context tensor will only be used if inputs = h_block(inputs, ctxt) # block was initialised with a ctxt dim # Pass through the output block if self.do_out: inputs = self.output_block(inputs) return inputs def __repr__(self): string = "" string += "\n (inp): " + repr(self.input_block) + "\n" for i, h_block in enumerate(self.hidden_blocks): string += f" (h-{i+1}): " + repr(h_block) + "\n" if self.do_out: string += " (out): " + repr(self.output_block) return string def one_line_string(self): """Return a one line string that sums up the network structure.""" string = str(self.inpt_dim) if self.ctxt_dim: string += f"({self.ctxt_dim})" string += ">" string += str(self.input_block.outp_dim) + ">" if self.num_blocks > 1: string += ">".join( [ str(layer.out_features) for hidden in self.hidden_blocks for layer in hidden.block if isinstance(layer, nn.Linear) ] ) string += ">" if self.do_out: string += str(self.outp_dim) return string class IterativeNormLayer(nn.Module): """A basic normalisation layer so it can be part of the model. Note! If a mask is provided in the forward pass, then this must be the dimension to apply over the masked inputs! For example: Graph nodes are usually batch x n_nodes x features so to normalise over the features one would typically give extra_dims as (0,) But nodes are always passed with the mask which flattens it to batch x features. Batch dimension is done automatically, so we dont pass any extra_dims!!! """ def __init__( self, inpt_dim: Union[T.Tensor, tuple, int], means: Optional[T.Tensor] = None, vars: Optional[T.Tensor] = None, n: int = 0, max_n: int = 5_00_000, extra_dims: Union[tuple, int] = (), ) -> None: """Init method for Normalisatiion module. Args: inpt_dim: Shape of the input tensor, required for reloading means: Calculated means for the mapping. Defaults to None. vars: Calculated variances for the mapping. Defaults to None. n: Number of samples used to make the mapping. Defaults to None. max_n: Maximum number of iterations before the means and vars are frozen extra_dims: The extra dimension(s) over which to calculate the stats Will always calculate over the batch dimension """ super().__init__() # Fail if only one of means or vars is provided if (means is None) ^ (vars is None): # XOR raise ValueError( """Only one of 'means' and 'vars' is defined. Either both or neither must be defined""" ) # Allow interger inpt_dim and n arguments if isinstance(inpt_dim, int): inpt_dim = (inpt_dim,) if isinstance(n, int): n = T.tensor(n) # The dimensions over which to apply the normalisation, make positive! if isinstance(extra_dims, int): # Ensure it is a list extra_dims = [extra_dims] else: extra_dims = list(extra_dims) if any([abs(e) > len(inpt_dim) for e in extra_dims]): # Check size raise ValueError("extra_dims argument lists dimensions outside input range") for d in range(len(extra_dims)): if extra_dims[d] < 0: # make positive extra_dims[d] = len(inpt_dim) + extra_dims[d] extra_dims[d] += 1 # Add one because we are inserting a batch dimension self.extra_dims = extra_dims # Calculate the input and output shapes self.max_n = max_n self.inpt_dim = list(inpt_dim) self.stat_dim = [1] + list(inpt_dim) # Add batch dimension for d in range(len(self.stat_dim)): if d in self.extra_dims: self.stat_dim[d] = 1 # Buffers arenneeded for saving/loading the layer self.register_buffer( "means", T.zeros(self.stat_dim) if means is None else means ) self.register_buffer("vars", T.ones(self.stat_dim) if vars is None else vars) self.register_buffer("n", n) # For the welford algorithm it is useful to have another variable m2 self.register_buffer("m2", T.ones(self.stat_dim) if vars is None else vars) # If the means are set here then the model is "frozen" and not updated self.frozen = means is not None def _mask(self, inpt: T.Tensor, mask: Optional[T.BoolTensor] = None) -> T.Tensor: if mask is None: return inpt return inpt[mask] def _check_attributes(self) -> None: if self.means is None or self.vars is None: raise ValueError( "Stats for have not been initialised or fit() has not been run!" ) def fit( self, inpt: T.Tensor, mask: Optional[T.BoolTensor] = None, freeze: bool = True ) -> None: """Set the stats given a population of data.""" inpt = self._mask(inpt, mask) self.vars, self.means = T.var_mean( inpt, dim=(0, *self.extra_dims), keepdim=True ) self.n = T.tensor(len(inpt), device=self.means.device) self.m2 = self.vars * self.n self.frozen = freeze def forward(self, inpt: T.Tensor, mask: Optional[T.BoolTensor] = None) -> T.Tensor: """Applies the standardisation to a batch of inputs, also uses the inputs to update the running stats if in training mode.""" with T.no_grad(): sel_inpt = self._mask(inpt, mask) if not self.frozen and self.training: self.update(sel_inpt) # Apply the mapping normed_inpt = (sel_inpt - self.means) / (self.vars.sqrt() + 1e-8) # Undo the masking if mask is not None: inpt = inpt.clone() # prevents inplace operation, bad for autograd inpt[mask] = normed_inpt return inpt return normed_inpt def reverse(self, inpt: T.Tensor, mask: Optional[T.BoolTensor] = None) -> T.Tensor: """Unnormalises the inputs given the recorded stats.""" sel_inpt = self._mask(inpt, mask) unnormed_inpt = sel_inpt * self.vars.sqrt() + self.means # Undo the masking if mask is not None: inpt = inpt.clone() # prevents inplace operation, bad for autograd inpt[mask] = unnormed_inpt return inpt return unnormed_inpt def update(self, inpt: T.Tensor, mask: Optional[T.BoolTensor] = None) -> None: """Update the running stats using a batch of data.""" inpt = self._mask(inpt, mask) # For first iteration if self.n == 0: self.fit(inpt, freeze=False) return # later iterations based on batched welford algorithm with T.no_grad(): self.n += len(inpt) delta = inpt - self.means self.means += (delta / self.n).mean( dim=(0, *self.extra_dims), keepdim=True ) * len(inpt) delta2 = inpt - self.means self.m2 += (delta * delta2).mean( dim=(0, *self.extra_dims), keepdim=True ) * len(inpt) self.vars = self.m2 / self.n # Freeze the model if we exceed the requested stats self.frozen = self.n >= self.max_n class CosineEncoding: def __init__( self, outp_dim: int = 32, min_value: float = 0.0, max_value: float = 1.0, frequency_scaling: str = "exponential", ) -> None: self.outp_dim = outp_dim self.min_value = min_value self.max_value = max_value self.frequency_scaling = frequency_scaling def __call__(self, inpt: T.Tensor) -> T.Tensor: return cosine_encoding( inpt, self.outp_dim, self.min_value, self.max_value, self.frequency_scaling ) def cosine_encoding( x: T.Tensor, outp_dim: int = 32, min_value: float = 0.0, max_value: float = 1.0, frequency_scaling: str = "exponential", ) -> T.Tensor: """Computes a positional cosine encodings with an increasing series of frequencies. The frequencies either increase linearly or exponentially (default). The latter is good for when max_value is large and extremely high sensitivity to the input is required. If inputs greater than the max value are provided, the outputs become degenerate. If inputs smaller than the min value are provided, the inputs the the cosine will be both positive and negative, which may lead degenerate outputs. Always make sure that the min and max bounds are not exceeded! Args: x: The input, the final dimension is encoded. If 1D then it will be unqueezed out_dim: The dimension of the output encoding min_value: Added to x (and max) as cosine embedding works with positive inputs max_value: The maximum expected value, sets the scale of the lowest frequency frequency_scaling: Either 'linear' or 'exponential' Returns: The cosine embeddings of the input using (out_dim) many frequencies """ # Unsqueeze if final dimension is flat if x.shape[-1] != 1 or x.dim() == 1: x = x.unsqueeze(-1) # Check the the bounds are obeyed if T.any(x > max_value): print("Warning! Passing values to cosine_encoding encoding that exceed max!") if T.any(x < min_value): print("Warning! Passing values to cosine_encoding encoding below min!") # Calculate the various frequencies if frequency_scaling == "exponential": freqs = T.arange(outp_dim, device=x.device).exp() elif frequency_scaling == "linear": freqs = T.arange(1, outp_dim + 1, device=x.device) else: raise RuntimeError(f"Unrecognised frequency scaling: {frequency_scaling}") return T.cos((x + min_value) * freqs * math.pi / (max_value + min_value))
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py
PC-JeDi
PC-JeDi-main/src/models/pc_jedi.py
import copy from functools import partial from typing import Mapping, Optional, Tuple import numpy as np import pytorch_lightning as pl import torch as T import wandb from jetnet.evaluation import w1efp, w1m, w1p from src.models.diffusion import VPDiffusionSchedule, run_sampler from src.models.modules import CosineEncoding, IterativeNormLayer from src.models.schedulers import WarmupToConstant from src.models.transformers import FullTransformerEncoder from src.numpy_utils import undo_log_squash from src.plotting import plot_mpgan_marginals from src.torch_utils import get_loss_fn, to_np class TransformerDiffusionGenerator(pl.LightningModule): """A generative model which uses the diffusion process on a point cloud.""" def __init__( self, *, pc_dim: list, ctxt_dim: int, n_nodes: int, cosine_config: Mapping, diff_config: Mapping, normaliser_config: Mapping, trans_enc_config: Mapping, optimizer: partial, loss_name: str = "mse", mle_loss_weight: float = 0.0, ema_sync: float = 0.999, sampler_name: str = "em", sampler_steps: int = 100, ) -> None: """ Args: pc_dim: The dimension of the point cloud ctxt_dim: The size of the context vector for the point cloud n_nodes: Max number of nodes used to train this model cosine_config: For defining the cosine embedding arguments normaliser_config: For defining the iterative normalisation layer diff_shedule: The diffusion scheduler, defines the signal and noise rates trans_enc_config: Keyword arguments for the TransformerEncoder network optimizer: Partially initialised optimizer sched_config: The config for how to apply the scheduler ema_sync: How fast the ema network syncs with the given one loss_name: Name of the loss function to use for noise estimation mle_loss_weight: Relative weight of the Maximum-Liklihood loss term sampler_name: Name of O/SDE solver, does not effect training. sampler_steps: Steps used in generation, does not effect training. """ super().__init__() self.save_hyperparameters(logger=False) # Class attributes self.pc_dim = pc_dim self.ctxt_dim = ctxt_dim self.n_nodes = n_nodes self.loss_fn = get_loss_fn(loss_name) self.mle_loss_weight = mle_loss_weight self.ema_sync = ema_sync # The encoder and scheduler needed for diffusion self.diff_sched = VPDiffusionSchedule(**diff_config) self.time_encoder = CosineEncoding(**cosine_config) # The layer which normalises the input point cloud data self.normaliser = IterativeNormLayer((pc_dim,), **normaliser_config) if self.ctxt_dim: self.ctxt_normaliser = IterativeNormLayer((ctxt_dim,), **normaliser_config) # The denoising transformer self.net = FullTransformerEncoder( inpt_dim=pc_dim, outp_dim=pc_dim, ctxt_dim=ctxt_dim + self.time_encoder.outp_dim, **trans_enc_config, ) # A copy of the network which will sync with an exponential moving average self.ema_net = copy.deepcopy(self.net) # Sampler to run in the validation/testing loop self.sampler_name = sampler_name self.sampler_steps = sampler_steps # Record of the outputs of the validation step self.val_outs = [] def forward( self, noisy_data: T.Tensor, diffusion_times: T.Tensor, mask: T.BoolTensor, ctxt: Optional[T.Tensor] = None, ) -> T.Tensor: """Pass through the model and get an estimate of the noise added to the input.""" # Use the appropriate network for training or validation if self.training: network = self.net else: network = self.ema_net # Encode the times and combine with existing context info context = self.time_encoder(diffusion_times) if self.ctxt_dim: context = T.cat([context, ctxt], dim=-1) # Use the selected network to esitmate the noise present in the data return network(noisy_data, mask=mask, ctxt=context) def _shared_step(self, sample: tuple) -> Tuple[T.Tensor, T.Tensor]: """Shared step used in both training and validaiton.""" # Unpack the sample tuple nodes, mask, ctxt = sample # Pass through the normalisers nodes = self.normaliser(nodes, mask) if self.ctxt_dim: ctxt = self.ctxt_normaliser(ctxt) # Sample from the gaussian latent space to perturb the point clouds noises = T.randn_like(nodes) * mask.unsqueeze(-1) # Sample uniform random diffusion times and get the rates diffusion_times = T.rand(size=(len(nodes), 1), device=self.device) signal_rates, noise_rates = self.diff_sched(diffusion_times.view(-1, 1, 1)) # Mix the signal and noise according to the diffusion equation noisy_nodes = signal_rates * nodes + noise_rates * noises # Predict the noise using the network pred_noises = self.forward(noisy_nodes, diffusion_times, mask, ctxt) # Simple noise loss is for "perceptual quality" simple_loss = self.loss_fn(noises[mask], pred_noises[mask]) # MLE loss is for maximum liklihood training if self.mle_loss_weight: betas = self.diff_sched.get_betas(diffusion_times.view(-1, 1, 1)) mle_weights = betas / noise_rates mle_loss = mle_weights * simple_loss else: mle_loss = T.zeros_like(simple_loss) return simple_loss.mean(), mle_loss.mean() def training_step(self, sample: tuple, _batch_idx: int) -> T.Tensor: simple_loss, mle_loss = self._shared_step(sample) total_loss = simple_loss + self.mle_loss_weight * mle_loss self.log("train/simple_loss", simple_loss) self.log("train/mle_loss", mle_loss) self.log("train/total_loss", total_loss) self._sync_ema_network() return total_loss def validation_step(self, sample: tuple, batch_idx: int) -> None: simple_loss, mle_loss = self._shared_step(sample) total_loss = simple_loss + self.mle_loss_weight * mle_loss self.log("valid/simple_loss", simple_loss) self.log("valid/mle_loss", mle_loss) self.log("valid/total_loss", total_loss) # Run the full generation of the sample during a validation step outputs = self.full_generation( self.sampler_name, self.sampler_steps, mask=sample[1], ctxt=sample[2], ) # Add to the collection of the validaiton outputs self.val_outs.append((to_np(outputs), to_np(sample))) def on_validation_epoch_end(self) -> None: """At the end of the validation epoch, calculate and log the metrics and plot the histograms. This function right now only works with MPGAN configs """ # Combine all outputs gen_nodes = np.vstack([v[0] for v in self.val_outs]) real_nodes = np.vstack([v[1][0] for v in self.val_outs]) mask = np.vstack([v[1][1] for v in self.val_outs]) high = np.vstack([v[1][2] for v in self.val_outs]) # Change the data from log(pt+1) into pt fraction (needed for metrics) if self.trainer.datamodule.hparams.data_conf.log_squash_pt: gen_nodes[..., -1] = undo_log_squash(gen_nodes[..., -1]) / high[..., 0:1] real_nodes[..., -1] = undo_log_squash(real_nodes[..., -1]) / high[..., 0:1] # Apply clipping gen_nodes = np.nan_to_num(gen_nodes) gen_nodes[..., 0] = np.clip(gen_nodes[..., 0], -0.5, 0.5) gen_nodes[..., 1] = np.clip(gen_nodes[..., 1], -0.5, 0.5) gen_nodes[..., 2] = np.clip(gen_nodes[..., 2], 0, 1) real_nodes = np.nan_to_num(real_nodes) real_nodes[..., 0] = np.clip(real_nodes[..., 0], -0.5, 0.5) real_nodes[..., 1] = np.clip(real_nodes[..., 1], -0.5, 0.5) real_nodes[..., 2] = np.clip(real_nodes[..., 2], 0, 1) # Calculate and log the Wasserstein discriminants bootstrap = { "num_eval_samples": 10000, "num_batches": 10, } w1m_val, w1m_err = w1m(real_nodes, gen_nodes, **bootstrap) w1p_val, w1p_err = w1p(real_nodes, gen_nodes, **bootstrap) w1efp_val, w1efp_err = w1efp(real_nodes, gen_nodes, efp_jobs=1, **bootstrap) self.log("valid/w1m", w1m_val) self.log("valid/w1m_err", w1m_err) self.log("valid/w1p", w1p_val.mean()) self.log("valid/w1p_err", w1p_err.mean()) self.log("valid/w1efp", w1efp_val.mean()) self.log("valid/w1efp_err", w1efp_err.mean()) # Plot the MPGAN-like marginals plot_mpgan_marginals(gen_nodes, real_nodes, mask, self.trainer.current_epoch) self.val_outs.clear() def _sync_ema_network(self) -> None: """Updates the Exponential Moving Average Network.""" with T.no_grad(): for params, ema_params in zip( self.net.parameters(), self.ema_net.parameters() ): ema_params.data.copy_( self.ema_sync * ema_params.data + (1.0 - self.ema_sync) * params.data ) def on_fit_start(self, *_args) -> None: """Function to run at the start of training.""" # Define the metrics for wandb (otherwise the min wont be stored!) if wandb.run is not None: wandb.define_metric("train/simple_loss", summary="min") wandb.define_metric("train/mle_loss", summary="min") wandb.define_metric("train/total_loss", summary="min") wandb.define_metric("valid/simple_loss", summary="min") wandb.define_metric("valid/mle_loss", summary="min") wandb.define_metric("valid/total_loss", summary="min") wandb.define_metric("valid/w1m", summary="min") wandb.define_metric("valid/w1p", summary="min") wandb.define_metric("valid/w1efp", summary="min") def set_sampler( self, sampler_name: Optional[str] = None, sampler_steps: Optional[int] = None ) -> None: """Replaces the sampler list with a new one.""" if sampler_name is not None: self.sampler_name = sampler_name if sampler_steps is not None: self.sampler_steps = sampler_steps def full_generation( self, sampler: str, steps: int, mask: Optional[T.BoolTensor] = None, ctxt: Optional[T.Tensor] = None, initial_noise: Optional[T.Tensor] = None, ) -> T.Tensor: """Fully generate a batch of data from noise, given context information and a mask.""" # Either a mask or initial noise must be defined or we dont know how # many samples to generate and with what cardinality if mask is None and initial_noise is None: raise ValueError("Please provide either a mask or noise to generate from") if mask is None: mask = T.full(initial_noise.shape[:-1], True, device=self.device) if initial_noise is None: initial_noise = T.randn((*mask.shape, self.pc_dim), device=self.device) # Normalise the context if self.ctxt_dim: ctxt = self.ctxt_normaliser(ctxt) assert len(ctxt) == len(initial_noise) # Run the sampling method outputs, _ = run_sampler( sampler, self, self.diff_sched, initial_noise=initial_noise * mask.unsqueeze(-1), n_steps=steps, mask=mask, ctxt=ctxt, clip_predictions=(-25, 25), ) # Ensure that the output adheres to the mask outputs[~mask] = 0 # Return the normalisation of the generated point cloud return self.normaliser.reverse(outputs, mask=mask) def configure_optimizers(self) -> dict: """Configure the optimisers and learning rate sheduler for this model.""" # Finish initialising the optimiser and create the scheduler opt = self.hparams.optimizer(params=self.parameters()) sched = WarmupToConstant(opt, num_steps=10_000) # Return the dict for the lightning trainer return { "optimizer": opt, "lr_scheduler": { "scheduler": sched, "interval": "step", "frequency": 1, }, }
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PC-JeDi
PC-JeDi-main/scripts/train.py
import pyrootutils root = pyrootutils.setup_root(search_from=__file__, pythonpath=True) import logging import hydra import pytorch_lightning as pl from omegaconf import DictConfig from src.hydra_utils import ( instantiate_collection, log_hyperparameters, print_config, reload_original_config, save_config, ) log = logging.getLogger(__name__) @hydra.main( version_base=None, config_path=str(root / "configs"), config_name="train.yaml" ) def main(cfg: DictConfig) -> None: log.info("Setting up full job config") if cfg.full_resume: cfg = reload_original_config(cfg) print_config(cfg) if cfg.seed: log.info(f"Setting seed to: {cfg.seed}") pl.seed_everything(cfg.seed, workers=True) log.info("Instantiating the data module") datamodule = hydra.utils.instantiate(cfg.datamodule) log.info("Instantiating the model") model = hydra.utils.instantiate( cfg.model, pc_dim=datamodule.dim, n_nodes=datamodule.n_nodes, ctxt_dim=datamodule.ctxt_dim, ) log.info(model) log.info("Instantiating all callbacks") callbacks = instantiate_collection(cfg.callbacks) log.info("Instantiating the loggers") loggers = instantiate_collection(cfg.loggers) log.info("Instantiating the trainer") trainer = hydra.utils.instantiate(cfg.trainer, callbacks=callbacks, logger=loggers) if loggers: log.info("Logging all hyperparameters") log_hyperparameters(cfg, model, trainer) log.info("Saving config so job can be resumed") save_config(cfg) log.info("Starting training!") trainer.fit(model, datamodule, ckpt_path=cfg.ckpt_path) if __name__ == "__main__": main()
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trees_from_transformers
trees_from_transformers-master/run.py
import argparse import datetime import logging import os import pickle from tqdm import tqdm import torch from transformers import * from data.dataset import Dataset from utils.measure import Measure from utils.parser import not_coo_parser, parser from utils.tools import set_seed, select_indices, group_indices from utils.yk import get_actions, get_nonbinary_spans MODELS = [(BertModel, BertTokenizer, BertConfig, 'bert-base-cased'), (BertModel, BertTokenizer, BertConfig, 'bert-large-cased'), (GPT2Model, GPT2Tokenizer, GPT2Config, 'gpt2'), (GPT2Model, GPT2Tokenizer, GPT2Config, 'gpt2-medium'), (RobertaModel, RobertaTokenizer, RobertaConfig, 'roberta-base'), (RobertaModel, RobertaTokenizer, RobertaConfig, 'roberta-large'), (XLNetModel, XLNetTokenizer, XLNetConfig, 'xlnet-base-cased'), (XLNetModel, XLNetTokenizer, XLNetConfig, 'xlnet-large-cased')] def evaluate(args): scores = dict() for model_class, tokenizer_class, model_config, pretrained_weights in MODELS: tokenizer = tokenizer_class.from_pretrained( pretrained_weights, cache_dir=args.lm_cache_path) if args.from_scratch: config = model_config.from_pretrained(pretrained_weights) config.output_hidden_states = True config.output_attentions = True model = model_class(config).to(args.device) else: model = model_class.from_pretrained( pretrained_weights, cache_dir=args.lm_cache_path, output_hidden_states=True, output_attentions=True).to(args.device) with torch.no_grad(): test_sent = tokenizer.encode('test', add_special_tokens=False) token_ids = torch.tensor([test_sent]).to(args.device) all_hidden, all_att = model(token_ids)[-2:] n_layers = len(all_att) n_att = all_att[0].size(1) n_hidden = all_hidden[0].size(-1) measure = Measure(n_layers, n_att) data = Dataset(path=args.data_path, tokenizer=tokenizer) for idx, s in tqdm(enumerate(data.sents), total=len(data.sents), desc=pretrained_weights, ncols=70): raw_tokens = data.raw_tokens[idx] tokens = data.tokens[idx] if len(raw_tokens) < 2: data.cnt -= 1 continue token_ids = tokenizer.encode(s, add_special_tokens=False) token_ids_tensor = torch.tensor([token_ids]).to(args.device) with torch.no_grad(): all_hidden, all_att = model(token_ids_tensor)[-2:] all_hidden, all_att = list(all_hidden[1:]), list(all_att) # (n_layers, seq_len, hidden_dim) all_hidden = torch.cat([all_hidden[n] for n in range(n_layers)], dim=0) # (n_layers, n_att, seq_len, seq_len) all_att = torch.cat([all_att[n] for n in range(n_layers)], dim=0) if len(tokens) > len(raw_tokens): th = args.token_heuristic if th == 'first' or th == 'last': mask = select_indices(tokens, raw_tokens, pretrained_weights, th) assert len(mask) == len(raw_tokens) all_hidden = all_hidden[:, mask] all_att = all_att[:, :, mask, :] all_att = all_att[:, :, :, mask] else: # mask = torch.tensor(data.masks[idx]) mask = group_indices(tokens, raw_tokens, pretrained_weights) raw_seq_len = len(raw_tokens) all_hidden = torch.stack( [all_hidden[:, mask == i].mean(dim=1) for i in range(raw_seq_len)], dim=1) all_att = torch.stack( [all_att[:, :, :, mask == i].sum(dim=3) for i in range(raw_seq_len)], dim=3) all_att = torch.stack( [all_att[:, :, mask == i].mean(dim=2) for i in range(raw_seq_len)], dim=2) l_hidden, r_hidden = all_hidden[:, :-1], all_hidden[:, 1:] l_att, r_att = all_att[:, :, :-1], all_att[:, :, 1:] syn_dists = measure.derive_dists(l_hidden, r_hidden, l_att, r_att) gold_spans = data.gold_spans[idx] gold_tags = data.gold_tags[idx] assert len(gold_spans) == len(gold_tags) for m, d in syn_dists.items(): pred_spans = [] for i in range(measure.scores[m].n): dist = syn_dists[m][i].tolist() if len(dist) > 1: bias_base = (sum(dist) / len(dist)) * args.bias bias = [bias_base * (1 - (1 / (len(dist) - 1)) * x) for x in range(len(dist))] dist = [dist[i] + bias[i] for i in range(len(dist))] if args.use_not_coo_parser: pred_tree = not_coo_parser(dist, raw_tokens) else: pred_tree = parser(dist, raw_tokens) ps = get_nonbinary_spans(get_actions(pred_tree))[0] pred_spans.append(ps) measure.scores[m].update(pred_spans, gold_spans, gold_tags) measure.derive_final_score() scores[pretrained_weights] = measure.scores if not os.path.exists(args.result_path): os.makedirs(args.result_path) with open(f'{args.result_path}/{pretrained_weights}.txt', 'w') as f: print('Model name:', pretrained_weights, file=f) print('Experiment time:', args.time, file=f) print('# of layers:', n_layers, file=f) print('# of attentions:', n_att, file=f) print('# of hidden dimensions:', n_hidden, file=f) print('# of processed sents:', data.cnt, file=f) max_corpus_f1, max_sent_f1 = 0, 0 for n in range(n_layers): print(f'[Layer {n + 1}]', file=f) print('-' * (119 + measure.max_m_len), file=f) for m, s in measure.scores.items(): if m in measure.h_measures + measure.a_avg_measures: print( f'| {m.upper()} {" " * (measure.max_m_len - len(m))} ' f'| Corpus F1: {s.corpus_f1[n] * 100:.2f} ' f'| Sent F1: {s.sent_f1[n] * 100:.2f} ', end='', file=f) for z in range(len(s.label_recalls[0])): print( f'| {s.labels[z]}: ' f'{s.label_recalls[n][z] * 100:.2f} ', end='', file=f) print('|', file=f) if s.sent_f1[n] > max_sent_f1: max_corpus_f1 = s.corpus_f1[n] max_sent_f1 = s.sent_f1[n] max_measure = m max_layer = n + 1 else: for i in range(n_att): m_att = str(i) if i > 9 else '0' + str(i) m_att = m + m_att + " " * ( measure.max_m_len - len(m)) i_att = n_att * n + i print( f'| {m_att.upper()}' f'| Corpus F1: {s.corpus_f1[i_att] * 100:.2f} ' f'| Sent F1: {s.sent_f1[i_att] * 100:.2f} ', end='', file=f) for z in range(len(s.label_recalls[0])): print(f'| {s.labels[z]}: ' f'{s.label_recalls[i_att][z] * 100:.2f} ', end='', file=f) print('|', file=f) if s.sent_f1[i_att] > max_sent_f1: max_corpus_f1 = s.corpus_f1[i_att] max_sent_f1 = s.sent_f1[i_att] max_measure = m_att max_layer = n + 1 print('-' * (119 + measure.max_m_len), file=f) print(f'[MAX]: | Layer: {max_layer} ' f'| {max_measure.upper()} ' f'| Corpus F1: {max_corpus_f1 * 100:.2f} ' f'| Sent F1: {max_sent_f1 * 100:.2f} |') print(f'[MAX]: | Layer: {max_layer} ' f'| {max_measure.upper()} ' f'| Corpus F1: {max_corpus_f1 * 100:.2f} ' f'| Sent F1: {max_sent_f1 * 100:.2f} |', file=f) return scores def main(): parser = argparse.ArgumentParser() parser.add_argument('--data-path', default='.data/PTB/ptb-test.txt', type=str) parser.add_argument('--result-path', default='outputs', type=str) parser.add_argument('--lm-cache-path', default='/data/transformers', type=str) parser.add_argument('--from-scratch', default=False, action='store_true') parser.add_argument('--gpu', default=0, type=int) parser.add_argument('--bias', default=0.0, type=float, help='the right-branching bias hyperparameter lambda') parser.add_argument('--seed', default=1234, type=int) parser.add_argument('--token-heuristic', default='mean', type=str, help='Available options: mean, first, last') parser.add_argument('--use-not-coo-parser', default=False, action='store_true', help='Turning on this option will allow you to exploit ' 'the NOT-COO parser (named by Dyer et al. 2019), ' 'which has been broadly adopted by recent methods ' 'for unsupervised parsing. As this parser utilizes' ' the right-branching bias in its inner workings, ' 'it may give rise to some unexpected gains or ' 'latent issues for the resulting trees. For more ' 'details, see https://arxiv.org/abs/1909.09428.') args = parser.parse_args() setattr(args, 'device', f'cuda:{args.gpu}' if torch.cuda.is_available() and args.gpu >= 0 else 'cpu') setattr(args, 'time', datetime.datetime.now().strftime('%Y%m%d-%H:%M:%S')) dataset_name = args.data_path.split('/')[-1].split('.')[0] parser = '-w-not-coo-parser' if args.use_not_coo_parser else '' pretrained = 'scratch' if args.from_scratch else 'pretrained' result_path = f'{args.result_path}/{dataset_name}-{args.token_heuristic}' result_path += f'-{pretrained}-{args.bias}{parser}' setattr(args, 'result_path', result_path) set_seed(args.seed) logging.disable(logging.WARNING) print('[List of arguments]') for a in args.__dict__: print(f'{a}: {args.__dict__[a]}') scores = evaluate(args) with open(f'{args.result_path}/scores.pickle', 'wb') as f: pickle.dump(scores, f) if __name__ == '__main__': main()
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trees_from_transformers
trees_from_transformers-master/utils/score.py
import numpy as np import torch from utils.yk import get_stats class Score(object): def __init__(self, n): self.corpus_f1 = torch.zeros(n, 3, dtype=torch.float) self.sent_f1 = torch.zeros(n, dtype=torch.float) self.n = n self.cnt = 0 self.labels = ['SBAR', 'NP', 'VP', 'PP', 'ADJP', 'ADVP'] self.label_recalls = np.zeros((n, 6), dtype=float) self.label_cnts = np.zeros(6, dtype=float) def update(self, pred_spans, gold_spans, gold_tags): pred_sets = [set(ps[:-1]) for ps in pred_spans] gold_set = set(gold_spans[:-1]) self.update_corpus_f1(pred_sets, gold_set) self.update_sentence_f1(pred_sets, gold_set) self.update_label_recalls(pred_spans, gold_spans, gold_tags) self.cnt += 1 def update_label_recalls(self, pred, gold, tags): for i, tag in enumerate(tags): if tag not in self.labels: continue tag_idx = self.labels.index(tag) self.label_cnts[tag_idx] += 1 for z in range(len(pred)): if gold[i] in pred[z]: self.label_recalls[z][tag_idx] += 1 def update_corpus_f1(self, pred, gold): stats = torch.tensor([get_stats(pred[i], gold) for i in range(self.n)], dtype=torch.float) self.corpus_f1 += stats def update_sentence_f1(self, pred, gold): # sent-level F1 is based on L83-89 from # https://github.com/yikangshen/PRPN/test_phrase_grammar.py for i in range(self.n): model_out, std_out = pred[i], gold overlap = model_out.intersection(std_out) prec = float(len(overlap)) / (len(model_out) + 1e-8) reca = float(len(overlap)) / (len(std_out) + 1e-8) if len(std_out) == 0: reca = 1. if len(model_out) == 0: prec = 1. f1 = 2 * prec * reca / (prec + reca + 1e-8) self.sent_f1[i] += f1 def derive_final_score(self): tp = self.corpus_f1[:, 0] fp = self.corpus_f1[:, 1] fn = self.corpus_f1[:, 2] prec = tp / (tp + fp) recall = tp / (tp + fn) epsilon = 1e-8 self.corpus_f1 = 2 * prec * recall / (prec + recall + epsilon) self.sent_f1 /= self.cnt for i in range(len(self.label_recalls)): for j in range(len(self.label_recalls[0])): self.label_recalls[i][j] /= self.label_cnts[j]
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trees_from_transformers
trees_from_transformers-master/utils/tools.py
import logging import random import torch specials = {'bert': '#', 'gpt2': 'Ġ', 'xlnet': '▁', 'roberta': 'Ġ'} def set_seed(seed): torch.manual_seed(seed) torch.cuda.manual_seed(seed) random.seed(seed) def select_indices(tokens, raw_tokens, model, mode): mask = [] raw_i = 0 collapsed = '' model = model.split('-')[0] special = specials[model] for i in range(len(tokens)): token = tokens[i] while len(token) > 0 and token[0] == special: token = token[1:] if collapsed == '' and len(token) > 0: start_idx = i collapsed += token if collapsed == raw_tokens[raw_i]: if mode == 'first': mask.append(start_idx) elif mode == 'last': mask.append(i) else: raise NotImplementedError raw_i += 1 collapsed = '' if raw_i != len(raw_tokens): raise Exception(f'Token mismatch: \n{tokens}\n{raw_tokens}') return mask def group_indices(tokens, raw_tokens, model): mask = [] raw_i = 0 collapsed = '' model = model.split('-')[0] special = specials[model] for i in range(len(tokens)): token = tokens[i] while len(token) > 0 and token[0] == special: token = token[1:] collapsed += token mask.append(raw_i) if collapsed == raw_tokens[raw_i]: raw_i += 1 collapsed = '' if raw_i != len(raw_tokens): raise Exception(f'Token mismatch: \n{tokens}\n{raw_tokens}') return torch.tensor(mask)
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trees_from_transformers
trees_from_transformers-master/utils/extractor.py
import torch import torch.nn as nn import torch.nn.functional as F class Extractor(nn.Module): def __init__(self, n_hidden): super(Extractor, self).__init__() self.linear = nn.Linear(n_hidden * 2, 1) nn.init.uniform_(self.linear.weight, -0.01, 0.01) nn.init.uniform_(self.linear.bias, 0) def forward(self, l, r): h = torch.cat([l, r], dim=-1) o = self.linear(h) # (seq_len-1) return o.squeeze(-1) def loss(self, d, gold): assert len(d) == len(gold) gold = d.new_tensor(gold) l = 0 for i in range(len(d)): for j in range(i+1, len(d)): l += F.relu(1 - torch.sign(gold[i]- gold[j]) * (d[i] - d[j])) return l
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trees_from_transformers
trees_from_transformers-master/utils/measure.py
import math import torch import torch.nn.functional as F from utils.score import Score class Measure(object): def __init__(self, n_layers, n_att): self.h_measures = ['cos', 'l1', 'l2'] self.a_measures = ['hellinger', 'jsd'] self.a_avg_measures = ['avg_hellinger', 'avg_jsd'] self.measures = self.h_measures + self.a_measures + self.a_avg_measures self.max_m_len = max([len(m) for m in self.measures]) + 2 self.scores = {m: Score(n_layers) for m in self.h_measures} for m in self.a_measures: self.scores[m] = Score(n_layers * n_att) for m in self.a_avg_measures: self.scores[m] = Score(n_layers) def derive_dists(self, l_hidden, r_hidden, l_att, r_att): syn_dists = {} for m in self.h_measures: syn_dists[m] = getattr(self, m)(l_hidden, r_hidden) for m in self.a_measures: syn_dists[m] = getattr(self, m)(l_att, r_att) syn_dists[m] = syn_dists[m].view(-1, syn_dists[m].size(-1)) for m in self.a_avg_measures: syn_dists[m] = getattr(self, m)(l_att, r_att) return syn_dists def derive_final_score(self): for m in self.scores.keys(): self.scores[m].derive_final_score() @staticmethod def cos(l_hidden, r_hidden): # (n_layers, seq_len-1, hidden_dim) * 2 -> (n_layers, seq_len-1) return (F.cosine_similarity(l_hidden, r_hidden, dim=-1) + 1) / 2 @staticmethod def l1(l_hidden, r_hidden): # (n_layers, seq_len-1, hidden_dim) * 2 -> (n_layers, seq_len-1) return torch.norm(l_hidden - r_hidden, p=1, dim=-1) @staticmethod def l2(l_hidden, r_hidden): # (n_layers, seq_len-1, hidden_dim) * 2 -> (n_layers, seq_len-1) return torch.norm(l_hidden - r_hidden, p=2, dim=-1) @staticmethod def kl(p, q): eps = 1e-30 p, q = p + eps, q + eps p, q = p / p.sum(dim=-1, keepdim=True), q / q.sum(dim=-1, keepdim=True) kl = F.kl_div(torch.log(q), p, reduction='none').sum(dim=-1) # kl = (p * (torch.log(p) - torch.log(q))).sum(dim=-1) # To deal with the numerical instability of the KL-div function in PyTorch if (kl < 0).sum() > 0: kl = kl * (1 - (kl < 0).float()) assert torch.isinf(kl).sum() == 0 assert torch.isnan(kl).sum() == 0 return kl @staticmethod def jsd(l_att, r_att): m = (l_att + r_att) / 2 l_kl = Measure.kl(l_att, m) r_kl = Measure.kl(r_att, m) d = torch.sqrt((l_kl + r_kl) / 2) assert (d < 0).sum() == 0 assert torch.isnan(d).sum() == 0 return d @staticmethod def hellinger(l_att, r_att): d = (((l_att.sqrt() - r_att.sqrt()) ** 2).sum(dim=-1)).sqrt() d /= math.sqrt(2) return d @staticmethod def avg_hellinger(l_att, r_att): d = Measure.hellinger(l_att, r_att) return d.mean(dim=1) @staticmethod def avg_jsd(l_att, r_att): d = Measure.jsd(l_att, r_att) return d.mean(dim=1)
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pi-peps
pi-peps-master/docs/source/conf.py
# -*- coding: utf-8 -*- # # Configuration file for the Sphinx documentation builder. # # This file does only contain a selection of the most common options. For a # full list see the documentation: # http://www.sphinx-doc.org/en/master/config # -- Path setup -------------------------------------------------------------- # If extensions (or modules to document with autodoc) are in another directory, # add these directories to sys.path here. If the directory is relative to the # documentation root, use os.path.abspath to make it absolute, like shown here. # # import os # import sys # sys.path.insert(0, os.path.abspath('.')) # -- Project information ----------------------------------------------------- project = 'pi-peps' copyright = '2019, Juraj Hasik, Alberto Sartori' author = 'Juraj Hasik, Alberto Sartori' # The short X.Y version version = '' # The full version, including alpha/beta/rc tags release = '' # -- General configuration --------------------------------------------------- # If your documentation needs a minimal Sphinx version, state it here. # # needs_sphinx = '1.0' # Add any Sphinx extension module names here, as strings. They can be # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom # ones. extensions = [ 'sphinx.ext.todo', 'sphinx.ext.coverage', 'sphinx.ext.mathjax', 'sphinx.ext.ifconfig', 'sphinx.ext.githubpages', ] # Add any paths that contain templates here, relative to this directory. templates_path = ['_templates'] # The suffix(es) of source filenames. # You can specify multiple suffix as a list of string: # # source_suffix = ['.rst', '.md'] source_suffix = '.rst' # The master toctree document. master_doc = 'index' # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. # # This is also used if you do content translation via gettext catalogs. # Usually you set "language" from the command line for these cases. language = None # List of patterns, relative to source directory, that match files and # directories to ignore when looking for source files. # This pattern also affects html_static_path and html_extra_path . exclude_patterns = [] # The name of the Pygments (syntax highlighting) style to use. pygments_style = 'sphinx' # -- Options for HTML output ------------------------------------------------- # The theme to use for HTML and HTML Help pages. See the documentation for # a list of builtin themes. # html_theme = 'sphinx_rtd_theme' # Theme options are theme-specific and customize the look and feel of a theme # further. For a list of options available for each theme, see the # documentation. # # html_theme_options = {} # Add any paths that contain custom static files (such as style sheets) here, # relative to this directory. They are copied after the builtin static files, # so a file named "default.css" will overwrite the builtin "default.css". html_static_path = [] # Custom sidebar templates, must be a dictionary that maps document names # to template names. # # The default sidebars (for documents that don't match any pattern) are # defined by theme itself. Builtin themes are using these templates by # default: ``['localtoc.html', 'relations.html', 'sourcelink.html', # 'searchbox.html']``. # # html_sidebars = {} # -- Options for HTMLHelp output --------------------------------------------- # Output file base name for HTML help builder. htmlhelp_basename = 'pi-pepsdoc' # -- Options for LaTeX output ------------------------------------------------ latex_elements = { # The paper size ('letterpaper' or 'a4paper'). # # 'papersize': 'letterpaper', # The font size ('10pt', '11pt' or '12pt'). # # 'pointsize': '10pt', # Additional stuff for the LaTeX preamble. # # 'preamble': '', # Latex figure (float) alignment # # 'figure_align': 'htbp', } # Grouping the document tree into LaTeX files. List of tuples # (source start file, target name, title, # author, documentclass [howto, manual, or own class]). latex_documents = [ (master_doc, 'pi-peps.tex', 'pi-peps Documentation', 'Juraj Hasik, Alberto Sartori', 'manual'), ] # -- Options for manual page output ------------------------------------------ # One entry per manual page. List of tuples # (source start file, name, description, authors, manual section). man_pages = [ (master_doc, 'pi-peps', 'pi-peps Documentation', [author], 1) ] # -- Options for Texinfo output ---------------------------------------------- # Grouping the document tree into Texinfo files. List of tuples # (source start file, target name, title, author, # dir menu entry, description, category) texinfo_documents = [ (master_doc, 'pi-peps', 'pi-peps Documentation', author, 'pi-peps', 'One line description of project.', 'Miscellaneous'), ] # -- Options for Epub output ------------------------------------------------- # Bibliographic Dublin Core info. epub_title = project epub_author = author epub_publisher = author epub_copyright = copyright # The unique identifier of the text. This can be a ISBN number # or the project homepage. # # epub_identifier = '' # A unique identification for the text. # # epub_uid = '' # A list of files that should not be packed into the epub file. epub_exclude_files = ['search.html'] # -- Extension configuration ------------------------------------------------- # -- Options for todo extension ---------------------------------------------- # If true, `todo` and `todoList` produce output, else they produce nothing. todo_include_todos = True
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SSTAP
SSTAP-main/main.py
import sys from dataset import VideoDataSet, VideoDataSet_unlabel from loss_function import bmn_loss_func, get_mask import os import json import torch import torch.nn.parallel import torch.nn.functional as F import torch.nn as nn import torch.optim as optim import numpy as np import opts from ipdb import set_trace from models import BMN, TemporalShift, TemporalShift_random import pandas as pd import random from post_processing import BMN_post_processing from eval import evaluation_proposal from ipdb import set_trace seed = 400 torch.manual_seed(seed) torch.cuda.manual_seed(seed) torch.cuda.manual_seed_all(seed) np.random.seed(seed) # Numpy module. random.seed(seed) # Python random module. torch.manual_seed(seed) torch.backends.cudnn.benchmark = False torch.backends.cudnn.deterministic = True os.environ["CUDA_VISIBLE_DEVICES"] = '0,1,2,3' blue = lambda x: '\033[94m' + x + '\033[0m' sys.dont_write_bytecode = True global_step = 0 eval_loss = [] consistency_rampup = 5 consistency = 6 # 30 # 3 # None def update_ema_variables(model, ema_model, alpha, global_step): # Use the true average until the exponential average is more correct alpha = min(1 - 1 / (global_step + 1), alpha) for ema_param, param in zip(ema_model.parameters(), model.parameters()): ema_param.data.mul_(alpha).add_(1 - alpha, param.data) def softmax_mse_loss(input_logits, target_logits): """Takes softmax on both sides and returns MSE loss Note: - Returns the sum over all examples. Divide by the batch size afterwards if you want the mean. - Sends gradients to inputs but not the targets. """ assert input_logits.size() == target_logits.size() # input_softmax = F.softmax(input_logits, dim=1) # target_softmax = F.softmax(target_logits, dim=1) # num_classes = input_logits.size()[1] # return F.mse_loss(input_softmax, target_softmax, reduction='sum') / num_classes # size_average=False return F.mse_loss(input_logits, target_logits, reduction='mean') def softmax_kl_loss(input_logits, target_logits): """Takes softmax on both sides and returns KL divergence Note: - Returns the sum over all examples. Divide by the batch size afterwards if you want the mean. - Sends gradients to inputs but not the targets. """ assert input_logits.size() == target_logits.size() # input_log_softmax = F.log_softmax(input_logits, dim=1) # target_softmax = F.softmax(target_logits, dim=1) # return F.kl_div(input_log_softmax, target_softmax, reduction='sum') return F.kl_div(input_logits, target_logits, reduction='mean') def Motion_MSEloss(output,clip_label,motion_mask=torch.ones(100).cuda()): z = torch.pow((output-clip_label),2) loss = torch.mean(motion_mask*z) return loss def sigmoid_rampup(current, rampup_length): """Exponential rampup from https://arxiv.org/abs/1610.02242""" if rampup_length == 0: return 1.0 else: current = np.clip(current, 0.0, rampup_length) phase = 1.0 - current / rampup_length return float(np.exp(-5.0 * phase * phase)) def linear_rampup(current, rampup_length): """Linear rampup""" assert current >= 0 and rampup_length >= 0 if current >= rampup_length: return 1.0 else: return current / rampup_length def cosine_rampdown(current, rampdown_length): """Cosine rampdown from https://arxiv.org/abs/1608.03983""" assert 0 <= current <= rampdown_length return float(.5 * (np.cos(np.pi * current / rampdown_length) + 1)) def get_current_consistency_weight(epoch): # Consistency ramp-up from https://arxiv.org/abs/1610.02242 return consistency * sigmoid_rampup(epoch, consistency_rampup) def train_BMN(data_loader, model, optimizer, epoch, bm_mask): model.train() epoch_pemreg_loss = 0 epoch_pemclr_loss = 0 epoch_tem_loss = 0 epoch_loss = 0 for n_iter, (input_data, label_confidence, label_start, label_end) in enumerate(data_loader): input_data = input_data.cuda() label_start = label_start.cuda() label_end = label_end.cuda() label_confidence = label_confidence.cuda() confidence_map, start, end = model(input_data) # [B, 2, 100, 100], [B,100],[B,100] loss = bmn_loss_func(confidence_map, start, end, label_confidence, label_start, label_end, bm_mask.cuda()) # loss = tem_loss + 10 * pem_reg_loss + pem_cls_loss # return loss, tem_loss, pem_reg_loss, pem_cls_loss optimizer.zero_grad() loss[0].backward() optimizer.step() epoch_pemreg_loss += loss[2].cpu().detach().numpy() epoch_pemclr_loss += loss[3].cpu().detach().numpy() epoch_tem_loss += loss[1].cpu().detach().numpy() epoch_loss += loss[0].cpu().detach().numpy() print( "BMN training loss(epoch %d): tem_loss: %.03f, pem class_loss: %.03f, pem reg_loss: %.03f, total_loss: %.03f" % ( epoch, epoch_tem_loss / (n_iter + 1), epoch_pemclr_loss / (n_iter + 1), epoch_pemreg_loss / (n_iter + 1), epoch_loss / (n_iter + 1))) def train_BMN_Semi(data_loader, train_loader_unlabel, model, model_ema, optimizer, epoch, bm_mask): global global_step model.train() epoch_pemreg_loss = 0 epoch_pemclr_loss = 0 epoch_tem_loss = 0 epoch_loss = 0 consistency_loss_all = 0 consistency_loss_ema_all = 0 consistency_criterion = softmax_mse_loss # softmax_kl_loss temporal_perb = TemporalShift_random(400, 64) order_clip_criterion = nn.CrossEntropyLoss() consistency = True clip_order = True dropout2d = True temporal_re = True unlabeled_train_iter = iter(train_loader_unlabel) for n_iter, (input_data, label_confidence, label_start, label_end) in enumerate(data_loader): input_data = input_data.cuda() label_start = label_start.cuda() label_end = label_end.cuda() label_confidence = label_confidence.cuda() input_data_student = temporal_perb(input_data) if dropout2d: input_data_student = F.dropout2d(input_data_student, 0.2) else: input_data_student = F.dropout(input_data_student, 0.2) confidence_map, start, end = model(input_data_student) # [B, 2, 100, 100], [B,100],[B,100] loss = bmn_loss_func(confidence_map, start, end, label_confidence, label_start, label_end, bm_mask.cuda()) confidence_map = confidence_map * bm_mask.cuda() if temporal_re: input_recons = F.dropout2d(input_data.permute(0,2,1), 0.2).permute(0,2,1) else: input_recons = F.dropout2d(input_data, 0.2) recons_feature = model(input_recons, recons=True) try: input_data_unlabel= unlabeled_train_iter.next() input_data_unlabel = input_data_unlabel.cuda() except: unlabeled_train_iter = iter(train_loader_unlabel) input_data_unlabel = unlabeled_train_iter.next() input_data_unlabel = input_data_unlabel.cuda() input_data_unlabel_student = temporal_perb(input_data_unlabel) if dropout2d: input_data_unlabel_student = F.dropout2d(input_data_unlabel_student, 0.2) else: input_data_unlabel_student = F.dropout(input_data_unlabel_student, 0.2) confidence_map_unlabel_student, start_unlabel_student, end_unlabel_student = model(input_data_unlabel_student) confidence_map_unlabel_student = confidence_map_unlabel_student * bm_mask.cuda() # label input_data_label_student_flip = F.dropout2d(input_data.flip(2).contiguous(), 0.1) confidence_map_label_student_flip, start_label_student_flip, end_label_student_flip = model( input_data_label_student_flip) confidence_map_label_student_flip = confidence_map_label_student_flip * bm_mask.cuda() # unlabel input_data_unlabel_student_flip = F.dropout2d(input_data_unlabel.flip(2).contiguous(), 0.1) confidence_map_unlabel_student_flip, start_unlabel_student_flip, end_unlabel_student_flip = model( input_data_unlabel_student_flip) confidence_map_unlabel_student_flip = confidence_map_unlabel_student_flip * bm_mask.cuda() if temporal_re: recons_input_student = F.dropout2d(input_data_unlabel.permute(0,2,1), 0.2).permute(0,2,1) else: recons_input_student = F.dropout2d(input_data_unlabel, 0.2) recons_feature_unlabel_student = model(recons_input_student, recons=True) loss_recons = 0.0005 * ( Motion_MSEloss(recons_feature, input_data) + Motion_MSEloss(recons_feature_unlabel_student, input_data_unlabel)) # 0.0001 with torch.no_grad(): # input_data_unlabel = input_data_unlabel.cuda() input_data_ema = F.dropout(input_data, 0.05) # 0.3 confidence_map_teacher, start_teacher, end_teacher = model_ema(input_data_ema) confidence_map_teacher = confidence_map_teacher * bm_mask.cuda() input_data_unlabel_teacher = F.dropout(input_data_unlabel, 0.05) # 0.3 confidence_map_unlabel_teacher, start_unlabel_teacher, end_unlabel_teacher = model_ema( input_data_unlabel_teacher) confidence_map_unlabel_teacher = confidence_map_unlabel_teacher * bm_mask.cuda() # flip (label) out = torch.zeros_like(confidence_map_unlabel_teacher) out_m = confidence_map_unlabel_teacher.flip(3).contiguous() for i in range(100): out[:, :, i, :100 - i] = out_m[:, :, i, i:] confidence_map_unlabel_teacher_flip = out # flip (unlabel) out = torch.zeros_like(confidence_map_teacher) out_m = confidence_map_teacher.flip(3).contiguous() for i in range(100): out[:, :, i, :100 - i] = out_m[:, :, i, i:] confidence_map_label_teacher_flip = out # start_unlabel_teacher_flip = start_unlabel_teacher.flip(1).contiguous() # end_unlabel_teacher_flip = end_unlabel_teacher.flip(1).contiguous() # add mask start_unlabel_teacher[start_unlabel_teacher >= 0.9] = 1.0 start_unlabel_teacher[start_unlabel_teacher <= 0.1] = 0.0 # 2_add end_unlabel_teacher[end_unlabel_teacher >= 0.9] = 1.0 end_unlabel_teacher[end_unlabel_teacher <= 0.1] = 0.0 # flip (label) start_label_teacher_flip = start_teacher.flip(1).contiguous() end_label_teacher_flip = end_teacher.flip(1).contiguous() # flip (unlabel) start_unlabel_teacher_flip = start_unlabel_teacher.flip(1).contiguous() end_unlabel_teacher_flip = end_unlabel_teacher.flip(1).contiguous() mask = torch.eq( (start_unlabel_teacher.max(1)[0] > 0.6).float() + (end_unlabel_teacher.max(1)[0] > 0.6).float(), 2.) confidence_map_unlabel_teacher = confidence_map_unlabel_teacher[mask] start_unlabel_teacher = start_unlabel_teacher[mask] end_unlabel_teacher = end_unlabel_teacher[mask] # flip confidence_map_unlabel_teacher_flip = confidence_map_unlabel_teacher_flip[mask] start_unlabel_teacher_flip = start_unlabel_teacher_flip[mask] end_unlabel_teacher_flip = end_unlabel_teacher_flip[mask] # add mask confidence_map_unlabel_student = confidence_map_unlabel_student[mask] start_unlabel_student = start_unlabel_student[mask] end_unlabel_student = end_unlabel_student[mask] # flip add mask confidence_map_unlabel_student_flip = confidence_map_unlabel_student_flip[mask] start_unlabel_student_flip = start_unlabel_student_flip[mask] end_unlabel_student_flip = end_unlabel_student_flip[mask] if consistency: consistency_weight = get_current_consistency_weight(epoch) # meters.update('cons_weight', consistency_weight) # set_trace() consistency_loss = consistency_weight * (consistency_criterion(confidence_map, confidence_map_teacher) + consistency_criterion(start, start_teacher) + consistency_criterion(end, end_teacher)) consistency_loss_ema = consistency_weight * ( consistency_criterion(confidence_map_unlabel_teacher, confidence_map_unlabel_student) + consistency_criterion(start_unlabel_teacher, start_unlabel_student) + consistency_criterion(end_unlabel_teacher, end_unlabel_student)) # set_trace() if torch.isnan(consistency_loss_ema): consistency_loss_ema = torch.tensor(0.).cuda() consistency_loss_ema_flip = 0.1 * consistency_weight * ( consistency_criterion(confidence_map_unlabel_teacher_flip, confidence_map_unlabel_student_flip) + consistency_criterion(start_unlabel_teacher_flip, start_unlabel_student_flip) + consistency_criterion(end_unlabel_teacher_flip, end_unlabel_student_flip)) + 0.1 * consistency_weight * ( consistency_criterion(confidence_map_label_teacher_flip, confidence_map_label_student_flip) + consistency_criterion(start_label_teacher_flip, start_label_student_flip) + consistency_criterion(end_label_teacher_flip, end_label_student_flip)) # meters.update('cons_loss', consistency_loss.item()) else: consistency_loss = torch.tensor(0).cuda() consistency_loss_ema = torch.tensor(0).cuda() consistency_loss_ema_flip = torch.tensor(0).cuda() # meters.update('cons_loss', 0) if clip_order: input_data_all = torch.cat([input_data, input_data_unlabel], 0) batch_size, C, T = input_data_all.size() idx = torch.randperm(batch_size) input_data_all_new = input_data_all[idx] forw_input = torch.cat( [input_data_all_new[:batch_size // 2, :, T // 2:], input_data_all_new[:batch_size // 2, :, :T // 2]], 2) back_input = input_data_all_new[batch_size // 2:, :, :] input_all = torch.cat([forw_input, back_input], 0) label_order = [0] * (batch_size // 2) + [1] * (batch_size - batch_size // 2) label_order = torch.tensor(label_order).long().cuda() out = model(input_all, clip_order=True) loss_clip_order = order_clip_criterion(out, label_order) loss_all = loss[0] + consistency_loss + consistency_loss_ema + loss_recons + 0.01 * loss_clip_order + consistency_loss_ema_flip optimizer.zero_grad() loss_all.backward() optimizer.step() global_step += 1 update_ema_variables(model, model_ema, 0.999, float(global_step/20)) # //5 //25 epoch_pemreg_loss += loss[2].cpu().detach().numpy() epoch_pemclr_loss += loss[3].cpu().detach().numpy() epoch_tem_loss += loss[1].cpu().detach().numpy() epoch_loss += loss[0].cpu().detach().numpy() consistency_loss_all += consistency_loss.cpu().detach().numpy() consistency_loss_ema_all += consistency_loss_ema.cpu().detach().numpy() if n_iter % 10 == 0: print( "training %d (epoch %d): tem_loss: %.03f, pem class_loss: %.03f, pem reg_loss: %.03f, consistency_loss: %.05f, consistency_loss_ema: %.05f, total_loss: %.03f" % (global_step, epoch, epoch_tem_loss / (n_iter + 1), epoch_pemclr_loss / (n_iter + 1), epoch_pemreg_loss / (n_iter + 1), consistency_loss_all / (n_iter + 1), consistency_loss_ema_all / (n_iter + 1), epoch_loss / (n_iter + 1))) print( blue("BMN training loss(epoch %d): tem_loss: %.03f, pem class_loss: %.03f, pem reg_loss: %.03f, total_loss: %.03f" % ( epoch, epoch_tem_loss / (n_iter + 1), epoch_pemclr_loss / (n_iter + 1), epoch_pemreg_loss / (n_iter + 1), epoch_loss / (n_iter + 1)))) def train_BMN_Semi_Full(data_loader, model, model_ema, optimizer, epoch, bm_mask): global global_step model.train() epoch_pemreg_loss = 0 epoch_pemclr_loss = 0 epoch_tem_loss = 0 epoch_loss = 0 consistency_loss_all = 0 consistency_loss_ema_all = 0 consistency_criterion = softmax_mse_loss # softmax_kl_loss # perturbance = nn.dropout(0.3) temporal_perb = TemporalShift_random(400, 64) # TemporalShift(400, 8) 16 order_clip_criterion = nn.CrossEntropyLoss() consistency = True clip_order = True dropout2d = True temporal_re = True # unlabeled_train_iter = iter(train_loader_unlabel) for n_iter, (input_data, label_confidence, label_start, label_end) in enumerate(data_loader): input_data = input_data.cuda() label_start = label_start.cuda() label_end = label_end.cuda() label_confidence = label_confidence.cuda() input_data_student = temporal_perb(input_data) if dropout2d: input_data_student = F.dropout2d(input_data_student, 0.2) else: input_data_student = F.dropout(input_data_student, 0.2) confidence_map, start, end = model(input_data_student) # [B, 2, 100, 100], [B,100],[B,100] loss = bmn_loss_func(confidence_map, start, end, label_confidence, label_start, label_end, bm_mask.cuda()) confidence_map = confidence_map * bm_mask.cuda() if temporal_re: input_recons = F.dropout2d(input_data.permute(0, 2, 1), 0.2).permute(0, 2, 1) else: input_recons = F.dropout2d(input_data, 0.2) recons_feature = model(input_recons, recons=True) # try: # input_data_unlabel= unlabeled_train_iter.next() # input_data_unlabel = input_data_unlabel.cuda() # except: # unlabeled_train_iter = iter(train_loader_unlabel) # input_data_unlabel = unlabeled_train_iter.next() # input_data_unlabel = input_data_unlabel.cuda() # input_data_unlabel = F.dropout2d(input_data_unlabel.cuda(), 0.2) # input_data_unlabel_student = temporal_perb(input_data_unlabel) # if dropout2d: # input_data_unlabel_student = F.dropout2d(input_data_unlabel_student, 0.2) # else: # input_data_unlabel_student = F.dropout(input_data_unlabel_student, 0.2) # confidence_map_unlabel_student, start_unlabel_student, end_unlabel_student = model(input_data_unlabel_student) # confidence_map_unlabel_student = confidence_map_unlabel_student * bm_mask.cuda() input_data_label_student_flip = F.dropout2d(input_data.flip(2).contiguous(), 0.1) confidence_map_label_student_flip, start_label_student_flip, end_label_student_flip = model( input_data_label_student_flip) confidence_map_label_student_flip = confidence_map_label_student_flip * bm_mask.cuda() # recons_input_student = F.dropout2d(input_data_unlabel.cuda(), 0.2) # recons_feature_unlabel_student = model(recons_input_student, recons=True) # set_trace() loss_recons = 0.0005 * ( Motion_MSEloss(recons_feature, input_data)) # 0.0001 with torch.no_grad(): # input_data_unlabel = input_data_unlabel.cuda() input_data_ema = F.dropout(input_data, 0.05) # 0.3 confidence_map_teacher, start_teacher, end_teacher = model_ema(input_data_ema) confidence_map_teacher = confidence_map_teacher * bm_mask.cuda() # input_data_unlabel_teacher = F.dropout(input_data_unlabel, 0.05) # 0.3 # confidence_map_unlabel_teacher, start_unlabel_teacher, end_unlabel_teacher = model_ema( # input_data_unlabel_teacher) # confidence_map_unlabel_teacher = confidence_map_unlabel_teacher * bm_mask.cuda() # flip out = torch.zeros_like(confidence_map_teacher) out_m = confidence_map_teacher.flip(3).contiguous() for i in range(100): out[:, :, i, :100 - i] = out_m[:, :, i, i:] confidence_map_label_teacher = out # start_unlabel_teacher_flip = start_unlabel_teacher.flip(1).contiguous() # end_unlabel_teacher_flip = end_unlabel_teacher.flip(1).contiguous() # add mask # start_label_teacher[start_label_teacher >= 0.9] = 1.0 # start_label_teacher[start_label_teacher <= 0.1] = 0.0 # 2_add # end_unlabel_teacher[end_unlabel_teacher >= 0.9] = 1.0 # end_unlabel_teacher[end_unlabel_teacher <= 0.1] = 0.0 # flip start_label_teacher_flip = label_start.flip(1).contiguous() end_label_teacher_flip = label_end.flip(1).contiguous() # mask = torch.eq( # (start_unlabel_teacher.max(1)[0] > 0.6).float() + (end_unlabel_teacher.max(1)[0] > 0.6).float(), 2.) # confidence_map_unlabel_teacher = confidence_map_unlabel_teacher[mask] # start_unlabel_teacher = start_unlabel_teacher[mask] # end_unlabel_teacher = end_unlabel_teacher[mask] # flip # confidence_map_unlabel_teacher_flip = confidence_map_unlabel_teacher_flip[mask] # start_unlabel_teacher_flip = start_unlabel_teacher_flip[mask] # end_unlabel_teacher_flip = end_unlabel_teacher_flip[mask] # add mask # confidence_map_unlabel_student = confidence_map_unlabel_student[mask] # start_unlabel_student = start_unlabel_student[mask] # end_unlabel_student = end_unlabel_student[mask] # flip add mask # confidence_map_unlabel_student_flip = confidence_map_label_student_flip[mask] # start_unlabel_student_flip = start_label_student_flip[mask] # end_unlabel_student_flip = end_label_student_flip[mask] if consistency: consistency_weight = get_current_consistency_weight(epoch) # meters.update('cons_weight', consistency_weight) # set_trace() consistency_loss = consistency_weight * (consistency_criterion(confidence_map, confidence_map_teacher) + consistency_criterion(start, start_teacher) + consistency_criterion(end, end_teacher)) consistency_loss_ema_flip = 0.1 * consistency_weight * ( consistency_criterion(confidence_map_label_student_flip, confidence_map_label_teacher) + consistency_criterion(start_label_student_flip, start_label_teacher_flip) + consistency_criterion(end_label_student_flip, end_label_teacher_flip)) # consistency_loss_ema_flip = 0.1 * consistency_weight * ( # consistency_criterion(confidence_map_label_teacher, confidence_map_label_student_flip) + # consistency_criterion(start_label_teacher_flip, start_label_student_flip) + # consistency_criterion(end_label_teacher_flip, end_label_student_flip)) # meters.update('cons_loss', consistency_loss.item()) else: consistency_loss = torch.tensor(0).cuda() consistency_loss_ema = torch.tensor(0).cuda() consistency_loss_ema_flip = torch.tensor(0).cuda() # meters.update('cons_loss', 0) if clip_order: input_data_all = input_data # torch.cat([input_data, input_data_unlabel], 0) batch_size, C, T = input_data_all.size() idx = torch.randperm(batch_size) input_data_all_new = input_data_all[idx] forw_input = torch.cat( [input_data_all_new[:batch_size // 2, :, T // 2:], input_data_all_new[:batch_size // 2, :, :T // 2]], 2) back_input = input_data_all_new[batch_size // 2:, :, :] input_all = torch.cat([forw_input, back_input], 0) label_order = [0] * (batch_size // 2) + [1] * (batch_size - batch_size // 2) label_order = torch.tensor(label_order).long().cuda() out = model(input_all, clip_order=True) loss_clip_order = order_clip_criterion(out, label_order) loss_all = loss[0] + consistency_loss + loss_recons + 0.01 * loss_clip_order + consistency_loss_ema_flip optimizer.zero_grad() loss_all.backward() optimizer.step() global_step += 1 update_ema_variables(model, model_ema, 0.999, float(global_step/20)) # //5 //25 epoch_pemreg_loss += loss[2].cpu().detach().numpy() epoch_pemclr_loss += loss[3].cpu().detach().numpy() epoch_tem_loss += loss[1].cpu().detach().numpy() epoch_loss += loss[0].cpu().detach().numpy() consistency_loss_all += consistency_loss.cpu().detach().numpy() # consistency_loss_ema_all += consistency_loss_ema.cpu().detach().numpy() if n_iter % 10 == 0: print( "training %d (epoch %d): tem_loss: %.03f, pem class_loss: %.03f, pem reg_loss: %.03f, consistency_loss: %.05f, total_loss: %.03f" % (global_step, epoch, epoch_tem_loss / (n_iter + 1), epoch_pemclr_loss / (n_iter + 1), epoch_pemreg_loss / (n_iter + 1), consistency_loss_all / (n_iter + 1), # consistency_loss_ema_all / (n_iter + 1), epoch_loss / (n_iter + 1))) print( blue("BMN training loss(epoch %d): tem_loss: %.03f, pem class_loss: %.03f, pem reg_loss: %.03f, total_loss: %.03f" % ( epoch, epoch_tem_loss / (n_iter + 1), epoch_pemclr_loss / (n_iter + 1), epoch_pemreg_loss / (n_iter + 1), epoch_loss / (n_iter + 1)))) def test_BMN(data_loader, model, epoch, bm_mask): global eval_loss model.eval() best_loss = 1e10 epoch_pemreg_loss = 0 epoch_pemclr_loss = 0 epoch_tem_loss = 0 epoch_loss = 0 for n_iter, (input_data, label_confidence, label_start, label_end) in enumerate(data_loader): input_data = input_data.cuda() label_start = label_start.cuda() label_end = label_end.cuda() label_confidence = label_confidence.cuda() confidence_map, start, end = model(input_data) loss = bmn_loss_func(confidence_map, start, end, label_confidence, label_start, label_end, bm_mask.cuda()) epoch_pemreg_loss += loss[2].cpu().detach().numpy() epoch_pemclr_loss += loss[3].cpu().detach().numpy() epoch_tem_loss += loss[1].cpu().detach().numpy() epoch_loss += loss[0].cpu().detach().numpy() print( blue("BMN val loss(epoch %d): tem_loss: %.03f, pem class_loss: %.03f, pem reg_loss: %.03f, total_loss: %.03f" % ( epoch, epoch_tem_loss / (n_iter + 1), epoch_pemclr_loss / (n_iter + 1), epoch_pemreg_loss / (n_iter + 1), epoch_loss / (n_iter + 1)))) eval_loss.append(epoch_loss / (n_iter + 1)) state = {'epoch': epoch + 1, 'state_dict': model.state_dict()} torch.save(state, opt["checkpoint_path"] + "/BMN_checkpoint.pth.tar") # ./checkpoint if epoch_loss < model.module.tem_best_loss: model.module.tem_best_loss = epoch_loss torch.save(state, opt["checkpoint_path"] + "/BMN_best.pth.tar") # eval_loss.append(epoch_loss / (n_iter + 1)) opt_file = open(opt["checkpoint_path"] + "/output_eval_loss.json", "w") json.dump(eval_loss, opt_file) opt_file.close() def test_BMN_ema(data_loader, model, epoch, bm_mask): model.eval() best_loss = 1e10 epoch_pemreg_loss = 0 epoch_pemclr_loss = 0 epoch_tem_loss = 0 epoch_loss = 0 for n_iter, (input_data, label_confidence, label_start, label_end) in enumerate(data_loader): input_data = input_data.cuda() label_start = label_start.cuda() label_end = label_end.cuda() label_confidence = label_confidence.cuda() confidence_map, start, end = model(input_data) loss = bmn_loss_func(confidence_map, start, end, label_confidence, label_start, label_end, bm_mask.cuda()) epoch_pemreg_loss += loss[2].cpu().detach().numpy() epoch_pemclr_loss += loss[3].cpu().detach().numpy() epoch_tem_loss += loss[1].cpu().detach().numpy() epoch_loss += loss[0].cpu().detach().numpy() print( blue("BMN val_ema loss(epoch %d): tem_loss: %.03f, pem class_loss: %.03f, pem reg_loss: %.03f, total_loss: %.03f" % ( epoch, epoch_tem_loss / (n_iter + 1), epoch_pemclr_loss / (n_iter + 1), epoch_pemreg_loss / (n_iter + 1), epoch_loss / (n_iter + 1)))) state = {'epoch': epoch + 1, 'state_dict': model.state_dict()} torch.save(state, opt["checkpoint_path"] + "/BMN_checkpoint_ema.pth.tar") # ./checkpoint if epoch_loss < model.module.tem_best_loss: model.module.tem_best_loss = epoch_loss torch.save(state, opt["checkpoint_path"] + "/BMN_best_ema.pth.tar") def BMN_Train(opt): model = BMN(opt) model = torch.nn.DataParallel(model, device_ids=[0, 1, 2, 3]).cuda() model_ema = BMN(opt) model_ema = torch.nn.DataParallel(model_ema, device_ids=[0, 1, 2, 3]).cuda() for param in model_ema.parameters(): param.detach_() optimizer = optim.Adam(filter(lambda p: p.requires_grad, model.parameters()), lr=opt["training_lr"], weight_decay=opt["weight_decay"]) # 1e-4 train_loader = torch.utils.data.DataLoader(VideoDataSet(opt, subset="train"), # [16,400,100] batch_size=opt["batch_size"], shuffle=True, drop_last=True, num_workers=8, pin_memory=True) if opt['use_semi'] and opt['unlabel_percent'] > 0.: train_loader_unlabel = torch.utils.data.DataLoader(VideoDataSet_unlabel(opt, subset="unlabel"), # [16,400,100] batch_size=min(max(round(opt["batch_size"]*opt['unlabel_percent']/(4*(1.-opt['unlabel_percent'])))*4, 4), 24), shuffle=True,drop_last=True, num_workers=8, pin_memory=True) test_loader = torch.utils.data.DataLoader(VideoDataSet(opt, subset="validation"), batch_size=opt["batch_size"], shuffle=False, num_workers=8, pin_memory=True) scheduler = torch.optim.lr_scheduler.StepLR(optimizer, step_size=opt["step_size"], gamma=opt["step_gamma"]) # 7 0.1 bm_mask = get_mask(opt["temporal_scale"]) use_semi = opt['use_semi'] print('use {} label for training!!!'.format(1-opt['unlabel_percent'])) print('training batchsize : {}'.format(opt["batch_size"])) print('unlabel_training batchsize : {}'.format(min(max(round(opt["batch_size"]*opt['unlabel_percent']/(4*(1.-opt['unlabel_percent'])))*4, 4), 24))) for epoch in range(opt["train_epochs"]): # 9 # scheduler.step() if use_semi: if opt['unlabel_percent'] == 0.: print('use Semi !!! use all label !!!') train_BMN_Semi_Full(train_loader, model, model_ema, optimizer, epoch, bm_mask) test_BMN(test_loader, model, epoch, bm_mask) test_BMN_ema(test_loader, model_ema, epoch, bm_mask) else: print('use Semi !!!') train_BMN_Semi(train_loader, train_loader_unlabel, model, model_ema, optimizer, epoch, bm_mask) test_BMN(test_loader, model, epoch, bm_mask) test_BMN_ema(test_loader, model_ema, epoch, bm_mask) else: print('use Fewer label !!!') train_BMN(train_loader, model, optimizer, epoch, bm_mask) test_BMN(test_loader, model, epoch, bm_mask) scheduler.step() def BMN_inference(opt, eval_name): model = BMN(opt) model = torch.nn.DataParallel(model, device_ids=[0, 1, 2, 3]).cuda() model_checkpoint_dir = opt["checkpoint_path"] + eval_name # BMN_checkpoint.pth.tar BMN_best.pth.tar checkpoint = torch.load(model_checkpoint_dir) # BMN_best.pth.tar print('load :', model_checkpoint_dir, ' OK !') model.load_state_dict(checkpoint['state_dict']) model.eval() test_loader = torch.utils.data.DataLoader(VideoDataSet(opt, subset="validation"), batch_size=8, shuffle=False, num_workers=8, pin_memory=True, drop_last=False) tscale = opt["temporal_scale"] with torch.no_grad(): for idx, input_data in test_loader: # set_trace() length = idx.shape[0] # for ii in range(length): video_name = [] for ii in range(length): video_name_video = test_loader.dataset.video_list[idx[ii]] video_name.append(video_name_video) input_data = input_data.cuda() confidence_map, start, end = model(input_data) # set_trace() for ii in range(length): start_scores = start[ii].detach().cpu().numpy() end_scores = end[ii].detach().cpu().numpy() clr_confidence = (confidence_map[ii][1]).detach().cpu().numpy() reg_confidence = (confidence_map[ii][0]).detach().cpu().numpy() max_start = max(start_scores) max_end = max(end_scores) #################################################################################################### # generate the set of start points and end points start_bins = np.zeros(len(start_scores)) start_bins[0] = 1 # [1,0,0...,0,1] for idx in range(1, tscale - 1): if start_scores[idx] > start_scores[idx + 1] and start_scores[idx] > start_scores[idx - 1]: start_bins[idx] = 1 elif start_scores[idx] > (0.5 * max_start): start_bins[idx] = 1 end_bins = np.zeros(len(end_scores)) end_bins[-1] = 1 for idx in range(1, tscale - 1): if end_scores[idx] > end_scores[idx + 1] and end_scores[idx] > end_scores[idx - 1]: end_bins[idx] = 1 elif end_scores[idx] > (0.5 * max_end): end_bins[idx] = 1 ######################################################################################################## ######################################################################### # new_props = [] for idx in range(tscale): for jdx in range(tscale): start_index = jdx end_index = start_index + idx+1 if end_index < tscale and start_bins[start_index] == 1 and end_bins[end_index] == 1: xmin = start_index/tscale xmax = end_index/tscale xmin_score = start_scores[start_index] xmax_score = end_scores[end_index] clr_score = clr_confidence[idx, jdx] reg_score = reg_confidence[idx, jdx] score = xmin_score * xmax_score * clr_score*reg_score new_props.append([xmin, xmax, xmin_score, xmax_score, clr_score, reg_score, score]) new_props = np.stack(new_props) ######################################################################### col_name = ["xmin", "xmax", "xmin_score", "xmax_score", "clr_score", "reg_socre", "score"] new_df = pd.DataFrame(new_props, columns=col_name) new_df.to_csv("./output/BMN_results/" + video_name[ii] + ".csv", index=False) def BMN_inference_ema(opt, eval_name): model = BMN(opt) model = torch.nn.DataParallel(model, device_ids=[0, 1, 2, 3]).cuda() model_checkpoint_dir = opt["checkpoint_path"] + eval_name # BMN_checkpoint.pth.tar BMN_best.pth.tar checkpoint = torch.load(model_checkpoint_dir) # BMN_best.pth.tar print('load :', model_checkpoint_dir, ' OK !') model.load_state_dict(checkpoint['state_dict']) model.eval() test_loader = torch.utils.data.DataLoader(VideoDataSet(opt, subset="validation"), batch_size=8, shuffle=False, num_workers=8, pin_memory=True, drop_last=False) tscale = opt["temporal_scale"] with torch.no_grad(): for idx, input_data in test_loader: # set_trace() length = idx.shape[0] # for ii in range(length): video_name = [] for ii in range(length): video_name_video = test_loader.dataset.video_list[idx[ii]] video_name.append(video_name_video) input_data = input_data.cuda() confidence_map, start, end = model(input_data) # set_trace() for ii in range(length): start_scores = start[ii].detach().cpu().numpy() end_scores = end[ii].detach().cpu().numpy() clr_confidence = (confidence_map[ii][1]).detach().cpu().numpy() reg_confidence = (confidence_map[ii][0]).detach().cpu().numpy() max_start = max(start_scores) max_end = max(end_scores) #################################################################################################### # generate the set of start points and end points start_bins = np.zeros(len(start_scores)) start_bins[0] = 1 # [1,0,0...,0,1] for idx in range(1, tscale - 1): if start_scores[idx] > start_scores[idx + 1] and start_scores[idx] > start_scores[idx - 1]: start_bins[idx] = 1 elif start_scores[idx] > (0.5 * max_start): start_bins[idx] = 1 end_bins = np.zeros(len(end_scores)) end_bins[-1] = 1 for idx in range(1, tscale - 1): if end_scores[idx] > end_scores[idx + 1] and end_scores[idx] > end_scores[idx - 1]: end_bins[idx] = 1 elif end_scores[idx] > (0.5 * max_end): end_bins[idx] = 1 ######################################################################################################## ######################################################################### new_props = [] for idx in range(tscale): for jdx in range(tscale): start_index = jdx end_index = start_index + idx+1 if end_index < tscale and start_bins[start_index] == 1 and end_bins[end_index] == 1: xmin = start_index/tscale xmax = end_index/tscale xmin_score = start_scores[start_index] xmax_score = end_scores[end_index] clr_score = clr_confidence[idx, jdx] reg_score = reg_confidence[idx, jdx] score = xmin_score * xmax_score * clr_score*reg_score new_props.append([xmin, xmax, xmin_score, xmax_score, clr_score, reg_score, score]) new_props = np.stack(new_props) ######################################################################### col_name = ["xmin", "xmax", "xmin_score", "xmax_score", "clr_score", "reg_socre", "score"] new_df = pd.DataFrame(new_props, columns=col_name) new_df.to_csv("./output/BMN_results/" + video_name[ii] + ".csv", index=False) def main(opt): if opt["mode"] == "train": BMN_Train(opt) elif opt["mode"] == "inference": if not os.path.exists("output/BMN_results"): os.makedirs("output/BMN_results") print('unlabel percent: ', opt['unlabel_percent']) print('eval student model !!') for eval_name in ['/BMN_checkpoint.pth.tar', '/BMN_best.pth.tar']: BMN_inference(opt, eval_name) print("Post processing start") BMN_post_processing(opt) print("Post processing finished") evaluation_proposal(opt) print('eval teacher model !!') for eval_name in ['/BMN_checkpoint_ema.pth.tar', '/BMN_best_ema.pth.tar']: BMN_inference_ema(opt, eval_name) print("Post processing start") BMN_post_processing(opt) print("Post processing finished") evaluation_proposal(opt) if __name__ == '__main__': opt = opts.parse_opt() opt = vars(opt) if not os.path.exists(opt["checkpoint_path"]): os.makedirs(opt["checkpoint_path"]) if not os.path.exists('./output'): os.makedirs('./output') opt_file = open(opt["checkpoint_path"] + "/opts.json", "w") json.dump(opt, opt_file) opt_file.close() main(opt)
42,436
48.173812
190
py
SSTAP
SSTAP-main/dataset.py
# -*- coding: utf-8 -*- import numpy as np import pandas as pd import json import torch.utils.data as data import torch from utils import ioa_with_anchors, iou_with_anchors from ipdb import set_trace def load_json(file): with open(file) as json_file: json_data = json.load(json_file) return json_data class VideoDataSet(data.Dataset): def __init__(self, opt, subset="train"): self.temporal_scale = opt["temporal_scale"] # 100 self.temporal_gap = 1. / self.temporal_scale self.subset = subset self.mode = opt["mode"] self.feature_path = opt["feature_path"] self.video_info_path = "./data/activitynet_annotations/video_info_new_{}.csv".format(opt['unlabel_percent']) self.video_anno_path = opt["video_anno"] self._getDatasetDict() self._get_match_map() # set_trace() def _getDatasetDict(self): anno_df = pd.read_csv(self.video_info_path) anno_database = load_json(self.video_anno_path) self.video_dict = {} for i in range(len(anno_df)): video_name = anno_df.video.values[i] video_info = anno_database[video_name] video_subset = anno_df.subset.values[i] if self.subset in video_subset: if 'unlabel' not in video_subset: self.video_dict[video_name] = video_info self.video_list = list(self.video_dict.keys()) print("%s subset video numbers: %d" % (self.subset, len(self.video_list))) def __getitem__(self, index): video_data = self._load_file(index) if self.mode == "train": match_score_start, match_score_end, confidence_score = self._get_train_label(index, self.anchor_xmin, self.anchor_xmax) return video_data,confidence_score, match_score_start, match_score_end # [400,100],[100,100],[100] else: return index, video_data def _get_match_map(self): match_map = [] for idx in range(self.temporal_scale): tmp_match_window = [] xmin = self.temporal_gap * idx for jdx in range(1, self.temporal_scale + 1): xmax = xmin + self.temporal_gap * jdx tmp_match_window.append([xmin, xmax]) match_map.append(tmp_match_window) match_map = np.array(match_map) # 100x100x2 match_map = np.transpose(match_map, [1, 0, 2]) # [0,1] [1,2] [2,3].....[99,100] match_map = np.reshape(match_map, [-1, 2]) # [0,2] [1,3] [2,4].....[99,101] # duration x start self.match_map = match_map # duration is same in row, start is same in col [10000,2] self.anchor_xmin = [self.temporal_gap * (i-0.5) for i in range(self.temporal_scale)] # [-0.5/100,0.5/100,...98.5/100] self.anchor_xmax = [self.temporal_gap * (i+0.5) for i in range(1, self.temporal_scale + 1)] # [1.5/100,...,100.5/100] def _load_file(self, index): video_name = self.video_list[index] video_df = pd.read_csv(self.feature_path + "csv_mean_" + str(self.temporal_scale) + "/" + video_name + ".csv") video_data = video_df.values[:, :] video_data = torch.Tensor(video_data) video_data = torch.transpose(video_data, 0, 1) video_data.float() return video_data def _get_train_label(self, index, anchor_xmin, anchor_xmax): video_name = self.video_list[index] # video_name video_info = self.video_dict[video_name] video_frame = video_info['duration_frame'] video_second = video_info['duration_second'] feature_frame = video_info['feature_frame'] corrected_second = float(feature_frame) / video_frame * video_second # there are some frames not used video_labels = video_info['annotations'] # the measurement is second, not frame ############################################################################################## # change the measurement from second to percentage gt_bbox = [] gt_iou_map = [] for j in range(len(video_labels)): tmp_info = video_labels[j] tmp_start = max(min(1, tmp_info['segment'][0] / corrected_second), 0) tmp_end = max(min(1, tmp_info['segment'][1] / corrected_second), 0) gt_bbox.append([tmp_start, tmp_end]) # gt_bbox [0~1] tmp_gt_iou_map = iou_with_anchors( self.match_map[:, 0], self.match_map[:, 1], tmp_start, tmp_end) # [100*100] tmp_gt_iou_map = np.reshape(tmp_gt_iou_map, [self.temporal_scale, self.temporal_scale]) gt_iou_map.append(tmp_gt_iou_map) gt_iou_map = np.array(gt_iou_map) # gt [100*100] gt_iou_map = np.max(gt_iou_map, axis=0) gt_iou_map = torch.Tensor(gt_iou_map) # [100,100] ############################################################################################## #################################################################################################### # generate R_s and R_e gt_bbox = np.array(gt_bbox) # gt [start,end] gt_xmins = gt_bbox[:, 0] gt_xmaxs = gt_bbox[:, 1] gt_lens = gt_xmaxs - gt_xmins gt_len_small = 3 * self.temporal_gap # np.maximum(self.temporal_gap, self.boundary_ratio * gt_lens) gt_start_bboxs = np.stack((gt_xmins - gt_len_small / 2, gt_xmins + gt_len_small / 2), axis=1) gt_end_bboxs = np.stack((gt_xmaxs - gt_len_small / 2, gt_xmaxs + gt_len_small / 2), axis=1) ##################################################################################################### ########################################################################################################## # calculate the ioa for all timestamp match_score_start = [] for jdx in range(len(anchor_xmin)): match_score_start.append(np.max( ioa_with_anchors(anchor_xmin[jdx], anchor_xmax[jdx], gt_start_bboxs[:, 0], gt_start_bboxs[:, 1]))) match_score_end = [] for jdx in range(len(anchor_xmin)): match_score_end.append(np.max( ioa_with_anchors(anchor_xmin[jdx], anchor_xmax[jdx], gt_end_bboxs[:, 0], gt_end_bboxs[:, 1]))) match_score_start = torch.Tensor(match_score_start) match_score_end = torch.Tensor(match_score_end) ############################################################################################################ return match_score_start, match_score_end, gt_iou_map def __len__(self): return len(self.video_list) class VideoDataSet_unlabel(data.Dataset): def __init__(self, opt, subset="unlabel"): self.temporal_scale = opt["temporal_scale"] # 100 self.temporal_gap = 1. / self.temporal_scale self.subset = subset self.mode = opt["mode"] self.feature_path = opt["feature_path"] self.video_info_path = "./data/activitynet_annotations/video_info_new_{}.csv".format(opt['unlabel_percent']) self.video_anno_path = opt["video_anno"] self._getDatasetDict() self.unlabel_percent = opt['unlabel_percent'] self._get_match_map() def _getDatasetDict(self): anno_df = pd.read_csv(self.video_info_path) anno_database = load_json(self.video_anno_path) self.video_dict = {} for i in range(len(anno_df)): video_name = anno_df.video.values[i] video_info = anno_database[video_name] video_subset = anno_df.subset.values[i] if self.subset in video_subset: self.video_dict[video_name] = 'unseen' self.video_list = list(self.video_dict.keys()) print("%s unlabeled subset video numbers: %d" % (self.subset, len(self.video_list))) def __getitem__(self, index): video_data = self._load_file(index) if self.mode == "train": # match_score_start, match_score_end, confidence_score = self._get_train_label(index, self.anchor_xmin, # self.anchor_xmax) return video_data # ,confidence_score, match_score_start, match_score_end # [400,100],[100,100],[100] else: return index, video_data def _get_match_map(self): match_map = [] for idx in range(self.temporal_scale): tmp_match_window = [] xmin = self.temporal_gap * idx for jdx in range(1, self.temporal_scale + 1): xmax = xmin + self.temporal_gap * jdx tmp_match_window.append([xmin, xmax]) match_map.append(tmp_match_window) match_map = np.array(match_map) # 100x100x2 match_map = np.transpose(match_map, [1, 0, 2]) # [0,1] [1,2] [2,3].....[99,100] match_map = np.reshape(match_map, [-1, 2]) # [0,2] [1,3] [2,4].....[99,101] # duration x start self.match_map = match_map # duration is same in row, start is same in col [10000,2] self.anchor_xmin = [self.temporal_gap * (i-0.5) for i in range(self.temporal_scale)] # [-0.5/100,0.5/100,...98.5/100] self.anchor_xmax = [self.temporal_gap * (i+0.5) for i in range(1, self.temporal_scale + 1)] # [1.5/100,...,100.5/100] def _load_file(self, index): video_name = self.video_list[index] video_df = pd.read_csv(self.feature_path + "csv_mean_" + str(self.temporal_scale) + "/" + video_name + ".csv") video_data = video_df.values[:, :] video_data = torch.Tensor(video_data) video_data = torch.transpose(video_data, 0, 1) video_data.float() return video_data def _get_train_label(self, index, anchor_xmin, anchor_xmax): video_name = self.video_list[index] # video_name video_info = self.video_dict[video_name] video_frame = video_info['duration_frame'] video_second = video_info['duration_second'] feature_frame = video_info['feature_frame'] corrected_second = float(feature_frame) / video_frame * video_second # there are some frames not used video_labels = video_info['annotations'] # the measurement is second, not frame ############################################################################################## # change the measurement from second to percentage gt_bbox = [] gt_iou_map = [] for j in range(len(video_labels)): tmp_info = video_labels[j] tmp_start = max(min(1, tmp_info['segment'][0] / corrected_second), 0) tmp_end = max(min(1, tmp_info['segment'][1] / corrected_second), 0) gt_bbox.append([tmp_start, tmp_end]) # gt_bbox [0~1] tmp_gt_iou_map = iou_with_anchors( self.match_map[:, 0], self.match_map[:, 1], tmp_start, tmp_end) # [100*100] tmp_gt_iou_map = np.reshape(tmp_gt_iou_map, [self.temporal_scale, self.temporal_scale]) gt_iou_map.append(tmp_gt_iou_map) gt_iou_map = np.array(gt_iou_map) # gt个[100*100] gt_iou_map = np.max(gt_iou_map, axis=0) gt_iou_map = torch.Tensor(gt_iou_map) # [100,100] ############################################################################################## #################################################################################################### # generate R_s and R_e gt_bbox = np.array(gt_bbox) # gt个[start,end] gt_xmins = gt_bbox[:, 0] gt_xmaxs = gt_bbox[:, 1] gt_lens = gt_xmaxs - gt_xmins gt_len_small = 3 * self.temporal_gap # np.maximum(self.temporal_gap, self.boundary_ratio * gt_lens) gt_start_bboxs = np.stack((gt_xmins - gt_len_small / 2, gt_xmins + gt_len_small / 2), axis=1) gt_end_bboxs = np.stack((gt_xmaxs - gt_len_small / 2, gt_xmaxs + gt_len_small / 2), axis=1) ##################################################################################################### ########################################################################################################## # calculate the ioa for all timestamp match_score_start = [] for jdx in range(len(anchor_xmin)): match_score_start.append(np.max( ioa_with_anchors(anchor_xmin[jdx], anchor_xmax[jdx], gt_start_bboxs[:, 0], gt_start_bboxs[:, 1]))) match_score_end = [] for jdx in range(len(anchor_xmin)): match_score_end.append(np.max( ioa_with_anchors(anchor_xmin[jdx], anchor_xmax[jdx], gt_end_bboxs[:, 0], gt_end_bboxs[:, 1]))) match_score_start = torch.Tensor(match_score_start) match_score_end = torch.Tensor(match_score_end) ############################################################################################################ return match_score_start, match_score_end, gt_iou_map def __len__(self): return len(self.video_list) if __name__ == '__main__': import opts opt = opts.parse_opt() opt = vars(opt) train_loader = torch.utils.data.DataLoader(VideoDataSet(opt, subset="train"), batch_size=opt["batch_size"], shuffle=True, num_workers=8, pin_memory=True) for aaa,bbb,ccc,ddd in train_loader: # len(train_loader)=604 set_trace() print(aaa.shape,bbb.shape,ccc.shape,ddd.shape) # torch.Size([16, 400, 100]) torch.Size([16, 100, 100]) torch.Size([16, 100]) torch.Size([16, 100]) # set_trace() break
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SSTAP
SSTAP-main/loss_function.py
# -*- coding: utf-8 -*- import torch import numpy as np import torch.nn.functional as F def get_mask(tscale): bm_mask = [] for idx in range(tscale): mask_vector = [1 for i in range(tscale - idx) ] + [0 for i in range(idx)] bm_mask.append(mask_vector) bm_mask = np.array(bm_mask, dtype=np.float32) return torch.Tensor(bm_mask) ''' [1, 1, 1, 1, 1] [1, 1, 1, 1, 0] [1, 1, 1, 0, 0] [1, 1, 0, 0, 0] [1, 0, 0, 0, 0]''' def bmn_loss_func(pred_bm, pred_start, pred_end, gt_iou_map, gt_start, gt_end, bm_mask): pred_bm_reg = pred_bm[:, 0].contiguous() pred_bm_cls = pred_bm[:, 1].contiguous() gt_iou_map = gt_iou_map * bm_mask # [b,100,100]*[100,100] ->[B,100,100] pem_reg_loss = pem_reg_loss_func(pred_bm_reg, gt_iou_map, bm_mask) pem_cls_loss = pem_cls_loss_func(pred_bm_cls, gt_iou_map, bm_mask) tem_loss = tem_loss_func(pred_start, pred_end, gt_start, gt_end) loss = tem_loss + 10 * pem_reg_loss + pem_cls_loss return loss, tem_loss, pem_reg_loss, pem_cls_loss def tem_loss_func(pred_start, pred_end, gt_start, gt_end): def bi_loss(pred_score, gt_label): pred_score = pred_score.view(-1) gt_label = gt_label.view(-1) pmask = (gt_label > 0.5).float() num_entries = len(pmask) num_positive = torch.sum(pmask) ratio = num_entries / num_positive coef_0 = 0.5 * ratio / (ratio - 1) coef_1 = 0.5 * ratio epsilon = 0.000001 loss_pos = coef_1 * torch.log(pred_score + epsilon) * pmask loss_neg = coef_0 * torch.log(1.0 - pred_score + epsilon)*(1.0 - pmask) loss = -1 * torch.mean(loss_pos + loss_neg) return loss loss_start = bi_loss(pred_start, gt_start) loss_end = bi_loss(pred_end, gt_end) loss = loss_start + loss_end return loss def pem_reg_loss_func(pred_score, gt_iou_map, mask): u_hmask = (gt_iou_map > 0.7).float() u_mmask = ((gt_iou_map <= 0.7) & (gt_iou_map > 0.3)).float() u_lmask = ((gt_iou_map <= 0.3) & (gt_iou_map > 0.)).float() u_lmask = u_lmask * mask num_h = torch.sum(u_hmask) num_m = torch.sum(u_mmask) num_l = torch.sum(u_lmask) r_m = num_h / num_m u_smmask = torch.Tensor(np.random.rand(*gt_iou_map.shape)).cuda() u_smmask = u_mmask * u_smmask u_smmask = (u_smmask > (1. - r_m)).float() r_l = num_h / num_l u_slmask = torch.Tensor(np.random.rand(*gt_iou_map.shape)).cuda() u_slmask = u_lmask * u_slmask u_slmask = (u_slmask > (1. - r_l)).float() weights = u_hmask + u_smmask + u_slmask loss = F.mse_loss(pred_score* weights, gt_iou_map* weights) loss = 0.5 * torch.sum(loss*torch.ones(*weights.shape).cuda()) / torch.sum(weights) return loss def pem_cls_loss_func(pred_score, gt_iou_map, mask): pmask = (gt_iou_map > 0.9).float() nmask = (gt_iou_map <= 0.9).float() nmask = nmask * mask num_positive = torch.sum(pmask) num_entries = num_positive + torch.sum(nmask) ratio = num_entries / num_positive coef_0 = 0.5 * ratio / (ratio - 1) coef_1 = 0.5 * ratio epsilon = 0.000001 loss_pos = coef_1 * torch.log(pred_score + epsilon) * pmask loss_neg = coef_0 * torch.log(1.0 - pred_score + epsilon) * nmask loss = -1 * torch.sum(loss_pos + loss_neg) / num_entries return loss
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SSTAP
SSTAP-main/models.py
# -*- coding: utf-8 -*- import math import numpy as np import torch import torch.nn as nn from ipdb import set_trace import random import torch.nn.functional as F class TemporalShift(nn.Module): def __init__(self, n_segment=3, n_div=8, inplace=False): super(TemporalShift, self).__init__() # self.net = net self.n_segment = n_segment self.fold_div = n_div self.inplace = inplace self.channels_range = list(range(400)) # feature_channels if inplace: print('=> Using in-place shift...') # print('=> Using fold div: {}'.format(self.fold_div)) def forward(self, x): # self.fold_div = n_div x = self.shift(x, self.n_segment, fold_div=self.fold_div, inplace=self.inplace, channels_range =self.channels_range) return x @staticmethod def shift(x, n_segment, fold_div=8, inplace=False, channels_range=[1,2]): x = x.permute(0, 2, 1) # [B,C,T] --> [B, T, C] # set_trace() n_batch, T, c = x.size() # nt, c, h, w = x.size() # n_batch = nt // n_segment # x = x.view(n_batch, n_segment, c, h, w) # x = x.view(n_batch, T, c, h, w) fold = c // 2*fold_div # all = random.sample(channels_range, fold*2) # forward = sorted(all[:fold]) # backward = sorted(all[fold:]) # fixed = list(set(channels_range) - set(all)) # fold = c // fold_div if inplace: # Due to some out of order error when performing parallel computing. # May need to write a CUDA kernel. raise NotImplementedError # out = InplaceShift.apply(x, fold) else: out = torch.zeros_like(x) out[:, :-1, :fold] = x[:, 1:, :fold] # shift left out[:, 1:, fold: 2 * fold] = x[:, :-1, fold: 2 * fold] # shift right out[:, :, 2 * fold:200] = x[:, :, 2 * fold:200] # not shift out[:, :-1, 200:200+fold] = x[:, 1:, 200:200+fold] # shift left out[:, 1:, 200+fold: 200+2 * fold] = x[:, :-1, 200+fold: 200+2 * fold] # shift right out[:, :, 200+2 * fold:] = x[:, :, 200 + 2 * fold:] # not shift # out = torch.zeros_like(x) # out[:, :-1, forward] = x[:, 1:, forward] # shift left # out[:, 1:, backward] = x[:, :-1, backward] # shift right # out[:, :, fixed] = x[:, :, fixed] # not shift # return out.view(nt, c, h, w) return out.permute(0, 2, 1) class TemporalShift_random(nn.Module): def __init__(self, n_segment=3, n_div=8, inplace=False): super(TemporalShift_random, self).__init__() # self.net = net self.n_segment = n_segment self.fold_div = n_div self.inplace = inplace self.channels_range = list(range(400)) # feature_channels if inplace: print('=> Using in-place shift...') # print('=> Using fold div: {}'.format(self.fold_div)) def forward(self, x): # self.fold_div = n_div x = self.shift(x, self.n_segment, fold_div=self.fold_div, inplace=self.inplace, channels_range =self.channels_range) return x @staticmethod def shift(x, n_segment, fold_div=8, inplace=False, channels_range=[1,2]): x = x.permute(0, 2, 1) # [B,C,T] --> [B, T, C] # set_trace() n_batch, T, c = x.size() # nt, c, h, w = x.size() # n_batch = nt // n_segment # x = x.view(n_batch, n_segment, c, h, w) # x = x.view(n_batch, T, c, h, w) fold = c // fold_div all = random.sample(channels_range, fold*2) forward = sorted(all[:fold]) backward = sorted(all[fold:]) fixed = list(set(channels_range) - set(all)) # fold = c // fold_div if inplace: # Due to some out of order error when performing parallel computing. # May need to write a CUDA kernel. raise NotImplementedError # out = InplaceShift.apply(x, fold) else: # out = torch.zeros_like(x) # out[:, :-1, :fold] = x[:, 1:, :fold] # shift left # out[:, 1:, fold: 2 * fold] = x[:, :-1, fold: 2 * fold] # shift right # out[:, :, 2 * fold:] = x[:, :, 2 * fold:] # not shift out = torch.zeros_like(x) out[:, :-1, forward] = x[:, 1:, forward] # shift left out[:, 1:, backward] = x[:, :-1, backward] # shift right out[:, :, fixed] = x[:, :, fixed] # not shift # return out.view(nt, c, h, w) return out.permute(0, 2, 1) class InplaceShift(torch.autograd.Function): # Special thanks to @raoyongming for the help to this function @staticmethod def forward(ctx, input, fold): # not support higher order gradient # input = input.detach_() ctx.fold_ = fold n, t, c, h, w = input.size() buffer = input.data.new(n, t, fold, h, w).zero_() buffer[:, :-1] = input.data[:, 1:, :fold] input.data[:, :, :fold] = buffer buffer.zero_() buffer[:, 1:] = input.data[:, :-1, fold: 2 * fold] input.data[:, :, fold: 2 * fold] = buffer return input @staticmethod def backward(ctx, grad_output): # grad_output = grad_output.detach_() fold = ctx.fold_ n, t, c, h, w = grad_output.size() buffer = grad_output.data.new(n, t, fold, h, w).zero_() buffer[:, 1:] = grad_output.data[:, :-1, :fold] grad_output.data[:, :, :fold] = buffer buffer.zero_() buffer[:, :-1] = grad_output.data[:, 1:, fold: 2 * fold] grad_output.data[:, :, fold: 2 * fold] = buffer return grad_output, None class BMN(nn.Module): def __init__(self, opt): super(BMN, self).__init__() self.tscale = opt["temporal_scale"] # 100 self.prop_boundary_ratio = opt["prop_boundary_ratio"] # 0.5 self.num_sample = opt["num_sample"] # 32 self.num_sample_perbin = opt["num_sample_perbin"] # 3 self.feat_dim=opt["feat_dim"] # 400 self.tem_best_loss = 10000000 self.hidden_dim_1d = 256 self.hidden_dim_2d = 128 self.hidden_dim_3d = 512 self._get_interp1d_mask() # Base Module self.x_1d_b = nn.Sequential( nn.Conv1d(self.feat_dim, self.hidden_dim_1d, kernel_size=3, padding=1, groups=4), nn.ReLU(inplace=True), nn.Conv1d(self.hidden_dim_1d, self.hidden_dim_1d, kernel_size=3, padding=1, groups=4), # 256 nn.ReLU(inplace=True) ) self.recons = nn.Sequential( nn.Conv1d(self.hidden_dim_1d, self.hidden_dim_1d, kernel_size=3, padding=1, groups=4), nn.ReLU(inplace=True), nn.Conv1d(self.hidden_dim_1d, self.feat_dim, kernel_size=3, padding=1, groups=4), # 256 # nn.ReLU(inplace=True) ) self.clip_order = nn.Sequential( # nn.Conv1d(self.hidden_dim_1d, self.hidden_dim_1d, kernel_size=3, padding=1, groups=4), # nn.ReLU(inplace=True), nn.Conv1d(self.hidden_dim_1d, 1, kernel_size=3, padding=1), # 256 nn.ReLU(inplace=True) ) self.clip_order_drop = nn.Dropout(0.5) self.clip_order_linear = nn.Linear(100, 2) # Temporal Evaluation Module self.x_1d_s = nn.Sequential( nn.Conv1d(self.hidden_dim_1d, self.hidden_dim_1d, kernel_size=3, padding=1, groups=4), nn.ReLU(inplace=True), nn.Conv1d(self.hidden_dim_1d, 1, kernel_size=1), nn.Sigmoid() ) self.x_1d_e = nn.Sequential( nn.Conv1d(self.hidden_dim_1d, self.hidden_dim_1d, kernel_size=3, padding=1, groups=4), nn.ReLU(inplace=True), nn.Conv1d(self.hidden_dim_1d, 1, kernel_size=1), nn.Sigmoid() ) # Proposal Evaluation Module self.x_1d_p = nn.Sequential( nn.Conv1d(self.hidden_dim_1d, self.hidden_dim_1d, kernel_size=3, padding=1), nn.ReLU(inplace=True) ) self.x_3d_p = nn.Sequential( nn.Conv3d(self.hidden_dim_1d, self.hidden_dim_3d, kernel_size=(self.num_sample, 1, 1), stride=(self.num_sample, 1, 1)), # 512 nn.ReLU(inplace=True) ) self.x_2d_p = nn.Sequential( nn.Conv2d(self.hidden_dim_3d, self.hidden_dim_2d, kernel_size=1), nn.ReLU(inplace=True), nn.Conv2d(self.hidden_dim_2d, self.hidden_dim_2d, kernel_size=3, padding=1), nn.ReLU(inplace=True), nn.Conv2d(self.hidden_dim_2d, self.hidden_dim_2d, kernel_size=3, padding=1), nn.ReLU(inplace=True), nn.Conv2d(self.hidden_dim_2d, 2, kernel_size=1), nn.Sigmoid() ) def forward(self, x, recons=False, clip_order=False): # [B,400,100] base_feature = self.x_1d_b(x) # [B,256,100] recons_feature = self.recons(base_feature) if recons: return recons_feature batch_size, C, T = base_feature.size() if clip_order: return self.clip_order_linear(self.clip_order_drop(self.clip_order(base_feature).view(batch_size, T))) start = self.x_1d_s(base_feature).squeeze(1) # [B,1,100]->[B,100] sigmoid() end = self.x_1d_e(base_feature).squeeze(1) confidence_map = self.x_1d_p(base_feature) # [B,256,100]———>[B,256,100]+relu() confidence_map = self._boundary_matching_layer(confidence_map) # [B, 256, 32, 100, 100] # set_trace() confidence_map = self.x_3d_p(confidence_map).squeeze(2) confidence_map = self.x_2d_p(confidence_map) # [B, 2, 100, 100] return confidence_map, start, end # [B, 2, 100, 100], [B,100],[B,100] def _boundary_matching_layer(self, x): input_size = x.size() # [B,256,100] out = torch.matmul(x, self.sample_mask).reshape(input_size[0],input_size[1],self.num_sample,self.tscale,self.tscale) return out # sample_mask= [100, 320000] def _get_interp1d_bin_mask(self, seg_xmin, seg_xmax, tscale, num_sample, num_sample_perbin): # generate sample mask for a boundary-matching pair plen = float(seg_xmax - seg_xmin) # during plen_sample = plen / (num_sample * num_sample_perbin - 1.0) total_samples = [ seg_xmin + plen_sample * ii for ii in range(num_sample * num_sample_perbin) ] # num_sample * num_sample_perbin p_mask = [] for idx in range(num_sample): # 32 bin_samples = total_samples[idx * num_sample_perbin:(idx + 1) * num_sample_perbin] bin_vector = np.zeros([tscale]) for sample in bin_samples: sample_upper = math.ceil(sample) sample_decimal, sample_down = math.modf(sample) if int(sample_down) <= (tscale - 1) and int(sample_down) >= 0: bin_vector[int(sample_down)] += 1 - sample_decimal # down if int(sample_upper) <= (tscale - 1) and int(sample_upper) >= 0: bin_vector[int(sample_upper)] += sample_decimal # upper bin_vector = 1.0 / num_sample_perbin * bin_vector p_mask.append(bin_vector) p_mask = np.stack(p_mask, axis=1) # 100*32 return p_mask def _get_interp1d_mask(self): # generate sample mask for each point in Boundary-Matching Map mask_mat = [] for start_index in range(self.tscale): # 100 mask_mat_vector = [] for duration_index in range(self.tscale): # 100 if start_index + duration_index < self.tscale: # p_xmin = start_index # start p_xmax = start_index + duration_index # end center_len = float(p_xmax - p_xmin) + 1 # during sample_xmin = p_xmin - center_len * self.prop_boundary_ratio # sample_start sample_xmax = p_xmax + center_len * self.prop_boundary_ratio # sample_end p_mask = self._get_interp1d_bin_mask( sample_xmin, sample_xmax, self.tscale, self.num_sample, # 32 self.num_sample_perbin) else: p_mask = np.zeros([self.tscale, self.num_sample]) # [100,32] mask_mat_vector.append(p_mask) # mask_mat_vector = np.stack(mask_mat_vector, axis=2) # [100,32,100] mask_mat.append(mask_mat_vector) mask_mat = np.stack(mask_mat, axis=3) # [100,32,100,100] mask_mat = mask_mat.astype(np.float32) self.sample_mask = nn.Parameter(torch.Tensor(mask_mat).view(self.tscale, -1), requires_grad=False) # [100,32*100*100] if __name__ == '__main__': import opts opt = opts.parse_opt() opt = vars(opt) model=BMN(opt).cuda() input=torch.randn(2,400,100).cuda() a,b,c=model(input) print(a.shape,b.shape,c.shape)
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SSTAP
SSTAP-main/data/activitynet_feature_cuhk/ldb_process.py
# -*- coding: utf-8 -*- """ Created on Mon May 15 22:31:31 2017 @author: wzmsltw """ import caffe import leveldb import numpy as np from caffe.proto import caffe_pb2 import pandas as pd col_names=[] for i in range(200): col_names.append("f"+str(i)) df=pd.read_table("./input_spatial_list.txt",names=['image','frame','label'],sep=" ") db = leveldb.LevelDB('./LDB') datum = caffe_pb2.Datum() i=0 video_name="init" videoData=np.reshape([],[-1,200]) for key, value in db.RangeIter(): tmp_video_name=df.image.values[i].split('/')[-1] if tmp_video_name !=video_name: outDf=pd.DataFrame(videoData,columns=col_names) outDf.to_csv("./csv_raw/"+video_name+".csv",index=False) videoData=np.reshape([],[-1,200]) video_name=tmp_video_name i+=1 datum.ParseFromString(value) label = datum.label data = caffe.io.datum_to_array(datum) data=np.reshape(data,[1,200]) videoData=np.concatenate((videoData,data)) del db
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Graph-Unlearning
Graph-Unlearning-main/main.py
import logging import torch from exp.exp_graph_partition import ExpGraphPartition from exp.exp_node_edge_unlearning import ExpNodeEdgeUnlearning from exp.exp_unlearning import ExpUnlearning from exp.exp_attack_unlearning import ExpAttackUnlearning from parameter_parser import parameter_parser def config_logger(save_name): # create logger logger = logging.getLogger() logger.setLevel(logging.DEBUG) formatter = logging.Formatter('%(levelname)s:%(asctime)s: - %(name)s - : %(message)s') # create console handler ch = logging.StreamHandler() ch.setLevel(logging.DEBUG) ch.setFormatter(formatter) logger.addHandler(ch) def main(args, exp): # config the logger logger_name = "_".join((exp, args['dataset_name'], args['partition_method'], str(args['num_shards']), str(args['test_ratio']))) config_logger(logger_name) logging.info(logger_name) torch.set_num_threads(args["num_threads"]) torch.cuda.set_device(args["cuda"]) os.environ["CUDA_VISIBLE_DEVICES"] = str(args["cuda"]) # subroutine entry for different methods if exp == 'partition': ExpGraphPartition(args) elif exp == 'unlearning': ExpUnlearning(args) elif exp == 'node_edge_unlearning': ExpNodeEdgeUnlearning(args) elif exp == 'attack_unlearning': ExpAttackUnlearning(args) else: raise Exception('unsupported attack') if __name__ == "__main__": args = parameter_parser() main(args, args['exp'])
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Graph-Unlearning
Graph-Unlearning-main/lib_node_embedding/ge/models/sdne.py
# -*- coding:utf-8 -*- """ Author: Weichen Shen,[email protected] Reference: [1] Wang D, Cui P, Zhu W. Structural deep network embedding[C]//Proceedings of the 22nd ACM SIGKDD international conference on Knowledge discovery and data mining. ACM, 2016: 1225-1234.(https://www.kdd.org/kdd2016/papers/files/rfp0191-wangAemb.pdf) """ import time import numpy as np import scipy.sparse as sp import tensorflow as tf from tensorflow.python.keras import backend as K from tensorflow.python.keras.callbacks import History from tensorflow.python.keras.layers import Dense, Input from tensorflow.python.keras.models import Model from tensorflow.python.keras.regularizers import l1_l2 from ..utils import preprocess_nxgraph def l_2nd(beta): def loss_2nd(y_true, y_pred): b_ = np.ones_like(y_true) b_[y_true != 0] = beta x = K.square((y_true - y_pred) * b_) t = K.sum(x, axis=-1, ) return K.mean(t) return loss_2nd def l_1st(alpha): def loss_1st(y_true, y_pred): L = y_true Y = y_pred batch_size = tf.to_float(K.shape(L)[0]) return alpha * 2 * tf.linalg.trace(tf.matmul(tf.matmul(Y, L, transpose_a=True), Y)) / batch_size return loss_1st def create_model(node_size, hidden_size=[256, 128], l1=1e-5, l2=1e-4): A = Input(shape=(node_size,)) L = Input(shape=(None,)) fc = A for i in range(len(hidden_size)): if i == len(hidden_size) - 1: fc = Dense(hidden_size[i], activation='relu', kernel_regularizer=l1_l2(l1, l2), name='1st')(fc) else: fc = Dense(hidden_size[i], activation='relu', kernel_regularizer=l1_l2(l1, l2))(fc) Y = fc for i in reversed(range(len(hidden_size) - 1)): fc = Dense(hidden_size[i], activation='relu', kernel_regularizer=l1_l2(l1, l2))(fc) A_ = Dense(node_size, 'relu', name='2nd')(fc) model = Model(inputs=[A, L], outputs=[A_, Y]) emb = Model(inputs=A, outputs=Y) return model, emb class SDNE(object): def __init__(self, graph, hidden_size=[32, 16], alpha=1e-6, beta=5., nu1=1e-5, nu2=1e-4, ): self.graph = graph # self.g.remove_edges_from(self.g.selfloop_edges()) self.idx2node, self.node2idx = preprocess_nxgraph(self.graph) self.node_size = self.graph.number_of_nodes() self.hidden_size = hidden_size self.alpha = alpha self.beta = beta self.nu1 = nu1 self.nu2 = nu2 self.A, self.L = self._create_A_L( self.graph, self.node2idx) # Adj Matrix,L Matrix self.reset_model() self.inputs = [self.A, self.L] self._embeddings = {} def reset_model(self, opt='adam'): self.model, self.emb_model = create_model(self.node_size, hidden_size=self.hidden_size, l1=self.nu1, l2=self.nu2) self.model.compile(opt, [l_2nd(self.beta), l_1st(self.alpha)]) self.get_embeddings() def train(self, batch_size=1024, epochs=1, initial_epoch=0, verbose=1): if batch_size >= self.node_size: if batch_size > self.node_size: print('batch_size({0}) > node_size({1}),set batch_size = {1}'.format( batch_size, self.node_size)) batch_size = self.node_size return self.model.fit([self.A.todense(), self.L.todense()], [self.A.todense(), self.L.todense()], batch_size=batch_size, epochs=epochs, initial_epoch=initial_epoch, verbose=verbose, shuffle=False, ) else: steps_per_epoch = (self.node_size - 1) // batch_size + 1 hist = History() hist.on_train_begin() logs = {} for epoch in range(initial_epoch, epochs): start_time = time.time() losses = np.zeros(3) for i in range(steps_per_epoch): index = np.arange( i * batch_size, min((i + 1) * batch_size, self.node_size)) A_train = self.A[index, :].todense() L_mat_train = self.L[index][:, index].todense() inp = [A_train, L_mat_train] batch_losses = self.model.train_on_batch(inp, inp) losses += batch_losses losses = losses / steps_per_epoch logs['loss'] = losses[0] logs['2nd_loss'] = losses[1] logs['1st_loss'] = losses[2] epoch_time = int(time.time() - start_time) hist.on_epoch_end(epoch, logs) if verbose > 0: print('Epoch {0}/{1}'.format(epoch + 1, epochs)) print('{0}s - loss: {1: .4f} - 2nd_loss: {2: .4f} - 1st_loss: {3: .4f}'.format( epoch_time, losses[0], losses[1], losses[2])) return hist def evaluate(self, ): return self.model.evaluate(x=self.inputs, y=self.inputs, batch_size=self.node_size) def get_embeddings(self): self._embeddings = {} embeddings = self.emb_model.predict(self.A.todense(), batch_size=self.node_size) look_back = self.idx2node for i, embedding in enumerate(embeddings): self._embeddings[look_back[i]] = embedding return self._embeddings def _create_A_L(self, graph, node2idx): node_size = graph.number_of_nodes() A_data = [] A_row_index = [] A_col_index = [] for edge in graph.edges(): v1, v2 = edge edge_weight = graph[v1][v2].get('weight', 1) A_data.append(edge_weight) A_row_index.append(node2idx[v1]) A_col_index.append(node2idx[v2]) A = sp.csr_matrix((A_data, (A_row_index, A_col_index)), shape=(node_size, node_size)) A_ = sp.csr_matrix((A_data + A_data, (A_row_index + A_col_index, A_col_index + A_row_index)), shape=(node_size, node_size)) D = sp.diags(A_.sum(axis=1).flatten().tolist()[0]) L = D - A_ return A, L
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Graph-Unlearning
Graph-Unlearning-main/lib_node_embedding/ge/models/line.py
# -*- coding:utf-8 -*- """ Author: Weichen Shen,[email protected] Reference: [1] Tang J, Qu M, Wang M, et al. Line: Large-scale information network embedding[C]//Proceedings of the 24th International Conference on World Wide Web. International World Wide Web Conferences Steering Committee, 2015: 1067-1077.(https://arxiv.org/pdf/1503.03578.pdf) """ import math import random import numpy as np import tensorflow as tf from tensorflow.python.keras import backend as K from tensorflow.python.keras.layers import Embedding, Input, Lambda from tensorflow.python.keras.models import Model from ..alias import create_alias_table, alias_sample from ..utils import preprocess_nxgraph def line_loss(y_true, y_pred): return -K.mean(K.log(K.sigmoid(y_true*y_pred))) def create_model(numNodes, embedding_size, order='second'): v_i = Input(shape=(1,)) v_j = Input(shape=(1,)) first_emb = Embedding(numNodes, embedding_size, name='first_emb') second_emb = Embedding(numNodes, embedding_size, name='second_emb') context_emb = Embedding(numNodes, embedding_size, name='context_emb') v_i_emb = first_emb(v_i) v_j_emb = first_emb(v_j) v_i_emb_second = second_emb(v_i) v_j_context_emb = context_emb(v_j) first = Lambda(lambda x: tf.reduce_sum( x[0]*x[1], axis=-1, keep_dims=False), name='first_order')([v_i_emb, v_j_emb]) second = Lambda(lambda x: tf.reduce_sum( x[0]*x[1], axis=-1, keep_dims=False), name='second_order')([v_i_emb_second, v_j_context_emb]) if order == 'first': output_list = [first] elif order == 'second': output_list = [second] else: output_list = [first, second] model = Model(inputs=[v_i, v_j], outputs=output_list) return model, {'first': first_emb, 'second': second_emb} class LINE: def __init__(self, graph, embedding_size=8, negative_ratio=5, order='second',): """ :param graph: :param embedding_size: :param negative_ratio: :param order: 'first','second','all' """ if order not in ['first', 'second', 'all']: raise ValueError('mode must be fisrt,second,or all') self.graph = graph self.idx2node, self.node2idx = preprocess_nxgraph(graph) self.use_alias = True self.rep_size = embedding_size self.order = order self._embeddings = {} self.negative_ratio = negative_ratio self.order = order self.node_size = graph.number_of_nodes() self.edge_size = graph.number_of_edges() self.samples_per_epoch = self.edge_size*(1+negative_ratio) self._gen_sampling_table() self.reset_model() def reset_training_config(self, batch_size, times): self.batch_size = batch_size self.steps_per_epoch = ( (self.samples_per_epoch - 1) // self.batch_size + 1)*times def reset_model(self, opt='adam'): self.model, self.embedding_dict = create_model( self.node_size, self.rep_size, self.order) self.model.compile(opt, line_loss) self.batch_it = self.batch_iter(self.node2idx) def _gen_sampling_table(self): # create sampling table for vertex power = 0.75 numNodes = self.node_size node_degree = np.zeros(numNodes) # out degree node2idx = self.node2idx for edge in self.graph.edges(): node_degree[node2idx[edge[0]] ] += self.graph[edge[0]][edge[1]].get('weight', 1.0) total_sum = sum([math.pow(node_degree[i], power) for i in range(numNodes)]) norm_prob = [float(math.pow(node_degree[j], power)) / total_sum for j in range(numNodes)] self.node_accept, self.node_alias = create_alias_table(norm_prob) # create sampling table for edge numEdges = self.graph.number_of_edges() total_sum = sum([self.graph[edge[0]][edge[1]].get('weight', 1.0) for edge in self.graph.edges()]) norm_prob = [self.graph[edge[0]][edge[1]].get('weight', 1.0) * numEdges / total_sum for edge in self.graph.edges()] self.edge_accept, self.edge_alias = create_alias_table(norm_prob) def batch_iter(self, node2idx): edges = [(node2idx[x[0]], node2idx[x[1]]) for x in self.graph.edges()] data_size = self.graph.number_of_edges() shuffle_indices = np.random.permutation(np.arange(data_size)) # positive or negative mod mod = 0 mod_size = 1 + self.negative_ratio h = [] t = [] sign = 0 count = 0 start_index = 0 end_index = min(start_index + self.batch_size, data_size) while True: if mod == 0: h = [] t = [] for i in range(start_index, end_index): if random.random() >= self.edge_accept[shuffle_indices[i]]: shuffle_indices[i] = self.edge_alias[shuffle_indices[i]] cur_h = edges[shuffle_indices[i]][0] cur_t = edges[shuffle_indices[i]][1] h.append(cur_h) t.append(cur_t) sign = np.ones(len(h)) else: sign = np.ones(len(h))*-1 t = [] for i in range(len(h)): t.append(alias_sample( self.node_accept, self.node_alias)) if self.order == 'all': yield ([np.array(h), np.array(t)], [sign, sign]) else: yield ([np.array(h), np.array(t)], [sign]) mod += 1 mod %= mod_size if mod == 0: start_index = end_index end_index = min(start_index + self.batch_size, data_size) if start_index >= data_size: count += 1 mod = 0 h = [] shuffle_indices = np.random.permutation(np.arange(data_size)) start_index = 0 end_index = min(start_index + self.batch_size, data_size) def get_embeddings(self,): self._embeddings = {} if self.order == 'first': embeddings = self.embedding_dict['first'].get_weights()[0] elif self.order == 'second': embeddings = self.embedding_dict['second'].get_weights()[0] else: embeddings = np.hstack((self.embedding_dict['first'].get_weights()[ 0], self.embedding_dict['second'].get_weights()[0])) idx2node = self.idx2node for i, embedding in enumerate(embeddings): self._embeddings[idx2node[i]] = embedding return self._embeddings def train(self, batch_size=1024, epochs=1, initial_epoch=0, verbose=1, times=1): self.reset_training_config(batch_size, times) hist = self.model.fit_generator(self.batch_it, epochs=epochs, initial_epoch=initial_epoch, steps_per_epoch=self.steps_per_epoch, verbose=verbose) return hist
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Graph-Unlearning
Graph-Unlearning-main/lib_utils/utils.py
import os import errno import numpy as np import pandas as pd import networkx as nx import torch from scipy.sparse import coo_matrix from tqdm import tqdm def graph_reader(path): """ Function to read the graph from the path. :param path: Path to the edge list. :return graph: NetworkX object returned. """ graph = nx.from_edgelist(pd.read_csv(path).values.tolist()) return graph def feature_reader(path): """ Reading the sparse feature matrix stored as csv from the disk. :param path: Path to the csv file. :return features: Dense matrix of features. """ features = pd.read_csv(path) node_index = features["node_id"].values.tolist() feature_index = features["feature_id"].values.tolist() feature_values = features["value"].values.tolist() node_count = max(node_index) + 1 feature_count = max(feature_index) + 1 features = coo_matrix((feature_values, (node_index, feature_index)), shape=(node_count, feature_count)).toarray() return features def target_reader(path): """ Reading the target vector from disk. :param path: Path to the target. :return target: Target vector. """ target = np.array(pd.read_csv(path)["target"]).reshape(-1, 1) return target def make_adjacency(graph, max_degree, sel=None): all_nodes = np.array(graph.nodes()) # Initialize w/ links to a dummy node n_nodes = len(all_nodes) adj = (np.zeros((n_nodes + 1, max_degree)) + n_nodes).astype(int) if sel is not None: # only look at nodes in training set all_nodes = all_nodes[sel] for node in tqdm(all_nodes): neibs = np.array(list(graph.neighbors(node))) if sel is not None: neibs = neibs[sel[neibs]] if len(neibs) > 0: if len(neibs) > max_degree: neibs = np.random.choice(neibs, max_degree, replace=False) elif len(neibs) < max_degree: extra = np.random.choice(neibs, max_degree - neibs.shape[0], replace=True) neibs = np.concatenate([neibs, extra]) adj[node, :] = neibs return adj def connected_component_subgraphs(graph): """ Find all connected subgraphs in a networkx Graph Args: graph (Graph): A networkx Graph Yields: generator: A subgraph generator """ for c in nx.connected_components(graph): yield graph.subgraph(c) def check_exist(file_name): if not os.path.exists(os.path.dirname(file_name)): try: os.makedirs(os.path.dirname(file_name)) except OSError as exc: # Guard against race condition if exc.errno != errno.EEXIST: raise def filter_edge_index(edge_index, node_indices, reindex=True): assert np.all(np.diff(node_indices) >= 0), 'node_indices must be sorted' if isinstance(edge_index, torch.Tensor): edge_index = edge_index.cpu() node_index = np.isin(edge_index, node_indices) col_index = np.nonzero(np.logical_and(node_index[0], node_index[1]))[0] edge_index = edge_index[:, col_index] if reindex: return np.searchsorted(node_indices, edge_index) else: return edge_index def pyg_to_nx(data): """ Convert a torch geometric Data to networkx Graph. Args: data (Data): A torch geometric Data. Returns: Graph: A networkx Graph. """ graph = nx.Graph() graph.add_nodes_from(np.arange(data.num_nodes)) edge_index = data.edge_index.numpy() for u, v in np.transpose(edge_index): graph.add_edge(u, v) return graph def edge_index_to_nx(edge_index, num_nodes): """ Convert a torch geometric Data to networkx Graph by edge_index. Args: edge_index (Data.edge_index): A torch geometric Data. num_nodes (int): Number of nodes in a graph. Returns: Graph: networkx Graph """ graph = nx.Graph() graph.add_nodes_from(np.arange(num_nodes)) edge_index = edge_index.numpy() for u, v in np.transpose(edge_index): graph.add_edge(u, v) return graph def filter_edge_index_1(data, node_indices): """ Remove unnecessary edges from a torch geometric Data, only keep the edges between node_indices. Args: data (Data): A torch geometric Data. node_indices (list): A list of nodes to be deleted from data. Returns: data.edge_index: The new edge_index after removing the node_indices. """ if isinstance(data.edge_index, torch.Tensor): data.edge_index = data.edge_index.cpu() edge_index = data.edge_index node_index = np.isin(edge_index, node_indices) col_index = np.nonzero(np.logical_and(node_index[0], node_index[1]))[0] edge_index = data.edge_index[:, col_index] return np.searchsorted(node_indices, edge_index)
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Graph-Unlearning
Graph-Unlearning-main/lib_aggregator/opt_dataset.py
from torch.utils.data import Dataset class OptDataset(Dataset): def __init__(self, posteriors, labels): self.posteriors = posteriors self.labels = labels def __getitem__(self, index): ret_posterior = {} for shard, post in self.posteriors.items(): ret_posterior[shard] = post[index] return ret_posterior, self.labels[index] def __len__(self): return self.labels.shape[0]
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Graph-Unlearning
Graph-Unlearning-main/lib_aggregator/optimal_aggregator.py
import copy import logging import numpy as np import torch import torch.nn as nn import torch.nn.functional as F from torch import optim from torch.optim.lr_scheduler import MultiStepLR from torch.utils.data import DataLoader from torch_geometric.data import Data from lib_aggregator.opt_dataset import OptDataset from lib_dataset.data_store import DataStore from lib_utils import utils class OptimalAggregator: def __init__(self, run, target_model, data, args): self.logger = logging.getLogger('optimal_aggregator') self.args = args self.run = run self.target_model = target_model self.data = data self.device = torch.device('cuda' if torch.cuda.is_available() else 'cpu') self.num_shards = args['num_shards'] def generate_train_data(self): data_store = DataStore(self.args) train_indices, _ = data_store.load_train_test_split() # sample a set of nodes from train_indices if self.args["num_opt_samples"] == 1000: train_indices = np.random.choice(train_indices, size=1000, replace=False) elif self.args["num_opt_samples"] == 10000: train_indices = np.random.choice(train_indices, size=int(train_indices.shape[0] * 0.1), replace=False) elif self.args["num_opt_samples"] == 1: train_indices = np.random.choice(train_indices, size=int(train_indices.shape[0]), replace=False) train_indices = np.sort(train_indices) self.logger.info("Using %s samples for optimization" % (int(train_indices.shape[0]))) x = self.data.x[train_indices] y = self.data.y[train_indices] edge_index = utils.filter_edge_index(self.data.edge_index, train_indices) train_data = Data(x=x, edge_index=torch.from_numpy(edge_index), y=y) train_data.train_mask = torch.zeros(train_indices.shape[0], dtype=torch.bool) train_data.test_mask = torch.ones(train_indices.shape[0], dtype=torch.bool) self.true_labels = y self.posteriors = {} for shard in range(self.num_shards): self.target_model.data = train_data data_store.load_target_model(self.run, self.target_model, shard) self.posteriors[shard] = self.target_model.posterior().to(self.device) def optimization(self): weight_para = nn.Parameter(torch.full((self.num_shards,), fill_value=1.0 / self.num_shards), requires_grad=True) optimizer = optim.Adam([weight_para], lr=self.args['opt_lr']) scheduler = MultiStepLR(optimizer, milestones=[500, 1000], gamma=self.args['opt_lr']) train_dset = OptDataset(self.posteriors, self.true_labels) train_loader = DataLoader(train_dset, batch_size=32, shuffle=True, num_workers=0) min_loss = 1000.0 for epoch in range(self.args['opt_num_epochs']): loss_all = 0.0 for posteriors, labels in train_loader: labels = labels.to(self.device) optimizer.zero_grad() loss = self._loss_fn(posteriors, labels, weight_para) loss.backward() loss_all += loss optimizer.step() with torch.no_grad(): weight_para[:] = torch.clamp(weight_para, min=0.0) scheduler.step() if loss_all < min_loss: ret_weight_para = copy.deepcopy(weight_para) min_loss = loss_all self.logger.info('epoch: %s, loss: %s' % (epoch, loss_all)) return ret_weight_para / torch.sum(ret_weight_para) def _loss_fn(self, posteriors, labels, weight_para): aggregate_posteriors = torch.zeros_like(posteriors[0]) for shard in range(self.num_shards): aggregate_posteriors += weight_para[shard] * posteriors[shard] aggregate_posteriors = F.softmax(aggregate_posteriors, dim=1) loss_1 = F.cross_entropy(aggregate_posteriors, labels) loss_2 = torch.sqrt(torch.sum(weight_para ** 2)) return loss_1 + loss_2
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Graph-Unlearning
Graph-Unlearning-main/lib_aggregator/aggregator.py
import logging import torch torch.cuda.empty_cache() from sklearn.metrics import f1_score import numpy as np from lib_aggregator.optimal_aggregator import OptimalAggregator from lib_dataset.data_store import DataStore class Aggregator: def __init__(self, run, target_model, data, shard_data, args): self.logger = logging.getLogger('Aggregator') self.args = args self.data_store = DataStore(self.args) self.run = run self.target_model = target_model self.data = data self.shard_data = shard_data self.num_shards = args['num_shards'] def generate_posterior(self, suffix=""): self.true_label = self.shard_data[0].y[self.shard_data[0]['test_mask']].detach().cpu().numpy() self.posteriors = {} for shard in range(self.args['num_shards']): self.target_model.data = self.shard_data[shard] self.data_store.load_target_model(self.run, self.target_model, shard, suffix) self.posteriors[shard] = self.target_model.posterior() self.logger.info("Saving posteriors.") self.data_store.save_posteriors(self.posteriors, self.run, suffix) def aggregate(self): if self.args['aggregator'] == 'mean': aggregate_f1_score = self._mean_aggregator() elif self.args['aggregator'] == 'optimal': aggregate_f1_score = self._optimal_aggregator() elif self.args['aggregator'] == 'majority': aggregate_f1_score = self._majority_aggregator() else: raise Exception("unsupported aggregator.") return aggregate_f1_score def _mean_aggregator(self): posterior = self.posteriors[0] for shard in range(1, self.num_shards): posterior += self.posteriors[shard] posterior = posterior / self.num_shards return f1_score(self.true_label, posterior.argmax(axis=1).cpu().numpy(), average="micro") def _majority_aggregator(self): pred_labels = [] for shard in range(self.num_shards): pred_labels.append(self.posteriors[shard].argmax(axis=1).cpu().numpy()) pred_labels = np.stack(pred_labels) pred_label = np.argmax( np.apply_along_axis(np.bincount, axis=0, arr=pred_labels, minlength=self.posteriors[0].shape[1]), axis=0) return f1_score(self.true_label, pred_label, average="micro") def _optimal_aggregator(self): optimal = OptimalAggregator(self.run, self.target_model, self.data, self.args) optimal.generate_train_data() weight_para = optimal.optimization() self.data_store.save_optimal_weight(weight_para, run=self.run) posterior = self.posteriors[0] * weight_para[0] for shard in range(1, self.num_shards): posterior += self.posteriors[shard] * weight_para[shard] return f1_score(self.true_label, posterior.argmax(axis=1).cpu().numpy(), average="micro")
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Graph-Unlearning
Graph-Unlearning-main/lib_graph_partition/metis_partition.py
import numpy as np import networkx as nx import pymetis from torch_geometric.data import ClusterData from torch_geometric.utils import from_networkx from lib_graph_partition.partition import Partition class MetisPartition(Partition): def __init__(self, args, graph, dataset): super(MetisPartition, self).__init__(args, graph, dataset) self.graph = graph self.args = args self.data = dataset def partition(self, recursive=False): # recursive (bool, optional): If set to :obj:`True`, will use multilevel # recursive bisection instead of multilevel k-way partitioning. # (default: :obj:`False`) # only use train data, not the whole dataset self.train_data = from_networkx(self.graph) data = ClusterData(self.train_data, self.args['num_shards'], recursive=recursive) community_to_node = {} for i in range(self.args['num_shards']): community_to_node[i] = [*range(data.partptr[i], data.partptr[i+1], 1)] # map node back to original graph for com in range(self.args['num_shards']): community_to_node[com] = np.array(list(self.graph.nodes))[data.partptr.numpy()[com]:data.partptr.numpy()[com+1]] return community_to_node class PyMetisPartition(Partition): def __init__(self, args, graph, dataset): super(PyMetisPartition, self).__init__(args, graph, dataset) self.graph = graph self.args = args self.data = dataset def partition(self, recursive=False): # recursive (bool, optional): If set to :obj:`True`, will use multilevel # recursive bisection instead of multilevel k-way partitioning. # (default: :obj:`False`) # only use train data, not the whole dataset # map graph into new graph mapping = {} for i, node in enumerate(self.graph.nodes): mapping[node] = i partition_graph = nx.relabel_nodes(self.graph, mapping=mapping) adj_list = [] for line in nx.generate_adjlist(partition_graph): line_int = list(map(int, line.split())) adj_list.append(np.array(line_int)) n_cuts, membership = pymetis.part_graph(self.args['num_shards'], adjacency=adj_list) # map node back to original graph community_to_node = {} for shard_index in range(self.args['num_shards']): community_to_node[shard_index] = np.array([node_id for node_id, node_shard_index in zip(list(mapping.keys()), membership) if node_shard_index == shard_index]) return community_to_node
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Graph-Unlearning
Graph-Unlearning-main/lib_gnn_model/gnn_base.py
import logging import pickle import torch class GNNBase: def __init__(self): self.logger = logging.getLogger('gnn') self.device = torch.device('cuda' if torch.cuda.is_available() else 'cpu') # self.device = torch.device('cpu') self.model = None self.embedding_dim = 0 self.data = None self.subgraph_loader = None def save_model(self, save_path): self.logger.info('saving model') torch.save(self.model.state_dict(), save_path) def load_model(self, save_path): self.logger.info('loading model') device = torch.device('cpu') self.model.load_state_dict(torch.load(save_path, map_location=device)) def save_paras(self, save_path): self.logger.info('saving paras') self.paras = { 'embedding_dim': self.embedding_dim } pickle.dump(self.paras, open(save_path, 'wb')) def load_paras(self, save_path): self.logger.info('loading paras') return pickle.load(open(save_path, 'rb')) def count_parameters(self): return sum(p.numel() for p in self.model.parameters() if p.requires_grad) def posterior(self): self.model.eval() self.model = self.model.to(self.device) self.data = self.data.to(self.device) posteriors = self.model(self.data) for _, mask in self.data('test_mask'): posteriors = posteriors[mask] return posteriors.detach()
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Graph-Unlearning
Graph-Unlearning-main/lib_gnn_model/node_classifier.py
import logging import os import torch from sklearn.model_selection import train_test_split torch.cuda.empty_cache() import torch.nn.functional as F import torch_geometric.transforms as T from torch_geometric.datasets import Planetoid from torch_geometric.data import NeighborSampler from torch_geometric.nn.conv.gcn_conv import gcn_norm import numpy as np import config from lib_gnn_model.gat.gat_net_batch import GATNet from lib_gnn_model.gin.gin_net_batch import GINNet from lib_gnn_model.gcn.gcn_net_batch import GCNNet from lib_gnn_model.graphsage.graphsage_net import SageNet from lib_gnn_model.gnn_base import GNNBase from parameter_parser import parameter_parser from lib_utils import utils class NodeClassifier(GNNBase): def __init__(self, num_feats, num_classes, args, data=None): super(NodeClassifier, self).__init__() self.args = args self.logger = logging.getLogger('node_classifier') self.target_model = args['target_model'] self.device = torch.device('cuda' if torch.cuda.is_available() else 'cpu') # self.device = 'cpu' self.model = self.determine_model(num_feats, num_classes).to(self.device) self.data = data def determine_model(self, num_feats, num_classes): self.logger.info('target model: %s' % (self.args['target_model'],)) if self.target_model == 'SAGE': self.lr, self.decay = 0.01, 0.001 return SageNet(num_feats, 256, num_classes) elif self.target_model == 'GAT': self.lr, self.decay = 0.01, 0.001 return GATNet(num_feats, num_classes) elif self.target_model == 'GCN': self.lr, self.decay = 0.05, 0.0001 return GCNNet(num_feats, num_classes) elif self.target_model == 'GIN': self.lr, self.decay = 0.01, 0.0001 return GINNet(num_feats, num_classes) else: raise Exception('unsupported target model') def train_model(self): self.logger.info("training model") self.model.train() self.model.reset_parameters() self.model, self.data = self.model.to(self.device), self.data.to(self.device) self.data.y = self.data.y.squeeze().to(self.device) self._gen_train_loader() optimizer = torch.optim.Adam(self.model.parameters(), lr=self.lr, weight_decay=self.decay) for epoch in range(self.args['num_epochs']): self.logger.info('epoch %s' % (epoch,)) for batch_size, n_id, adjs in self.train_loader: # self.logger.info("batch size: %s"%(batch_size)) # `adjs` holds a list of `(edge_index, e_id, size)` tuples. adjs = [adj.to(self.device) for adj in adjs] test_node = np.nonzero(self.data.test_mask.cpu().numpy())[0] intersect = np.intersect1d(test_node, n_id.numpy()) optimizer.zero_grad() if self.target_model == 'GCN': out = self.model(self.data.x[n_id], adjs, self.edge_weight) else: out = self.model(self.data.x[n_id], adjs) loss = F.nll_loss(out, self.data.y[n_id[:batch_size]]) loss.backward() optimizer.step() train_acc, test_acc = self.evaluate_model() self.logger.info(f'Train: {train_acc:.4f}, Test: {test_acc:.4f}') @torch.no_grad() def evaluate_model(self): self.model.eval() self.model, self.data = self.model.to(self.device), self.data.to(self.device) self._gen_test_loader() if self.target_model == 'GCN': out = self.model.inference(self.data.x, self.test_loader, self.edge_weight, self.device) else: out = self.model.inference(self.data.x, self.test_loader, self.device) y_true = self.data.y.cpu().unsqueeze(-1) y_pred = out.argmax(dim=-1, keepdim=True) results = [] for mask in [self.data.train_mask, self.data.test_mask]: results += [int(y_pred[mask].eq(y_true[mask]).sum()) / int(mask.sum())] return results def posterior(self): self.logger.debug("generating posteriors") self.model, self.data = self.model.to(self.device), self.data.to(self.device) self.model.eval() self._gen_test_loader() if self.target_model == 'GCN': posteriors = self.model.inference(self.data.x, self.test_loader, self.edge_weight, self.device) else: posteriors = self.model.inference(self.data.x, self.test_loader, self.device) for _, mask in self.data('test_mask'): posteriors = F.log_softmax(posteriors[mask], dim=-1) return posteriors.detach() def generate_embeddings(self): self.model.eval() self.model, self.data = self.model.to(self.device), self.data.to(self.device) self._gen_test_loader() if self.target_model == 'GCN': logits = self.model.inference(self.data.x, self.test_loader, self.edge_weight, self.device) else: logits = self.model.inference(self.data.x, self.test_loader, self.device) return logits def _gen_train_loader(self): self.logger.info("generate train loader") train_indices = np.nonzero(self.data.train_mask.cpu().numpy())[0] edge_index = utils.filter_edge_index(self.data.edge_index, train_indices, reindex=False) if edge_index.shape[1] == 0: edge_index = torch.tensor([[1, 2], [2, 1]]) self.train_loader = NeighborSampler( edge_index, node_idx=self.data.train_mask, sizes=[5, 5], num_nodes=self.data.num_nodes, batch_size=self.args['batch_size'], shuffle=True, num_workers=0) if self.target_model == 'GCN': _, self.edge_weight = gcn_norm(self.data.edge_index, edge_weight=None, num_nodes=self.data.x.shape[0], add_self_loops=False) self.logger.info("generate train loader finish") def _gen_test_loader(self): test_indices = np.nonzero(self.data.train_mask.cpu().numpy())[0] if not self.args['use_test_neighbors']: edge_index = utils.filter_edge_index(self.data.edge_index, test_indices, reindex=False) else: edge_index = self.data.edge_index if edge_index.shape[1] == 0: edge_index = torch.tensor([[1, 3], [3, 1]]) self.test_loader = NeighborSampler( edge_index, node_idx=None, sizes=[-1], num_nodes=self.data.num_nodes, # sizes=[5], num_nodes=self.data.num_nodes, batch_size=self.args['test_batch_size'], shuffle=False, num_workers=0) if self.target_model == 'GCN': _, self.edge_weight = gcn_norm(self.data.edge_index, edge_weight=None, num_nodes=self.data.x.shape[0], add_self_loops=False) if __name__ == '__main__': os.chdir('../') args = parameter_parser() output_file = None logging.basicConfig(filename=output_file, format='%(levelname)s:%(asctime)s: - %(name)s - : %(message)s', level=logging.DEBUG) dataset_name = 'cora' dataset = Planetoid(config.RAW_DATA_PATH, dataset_name, transform=T.NormalizeFeatures()) data = dataset[0] train_indices, test_indices = train_test_split(np.arange((data.num_nodes)), test_size=0.2, random_state=100) data.train_mask, data.test_mask = torch.zeros(data.num_nodes, dtype=torch.bool), torch.zeros(data.num_nodes, dtype=torch.bool) data.train_mask[train_indices] = True data.test_mask[test_indices] = True graphsage = NodeClassifier(dataset.num_features, dataset.num_classes, args, data) graphsage.train_model()
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Graph-Unlearning
Graph-Unlearning-main/lib_gnn_model/gin/gin.py
import os import logging import torch import torch.nn.functional as F import torch_geometric.transforms as T from torch_geometric.datasets import Planetoid, Reddit from lib_gnn_model.gnn_base import GNNBase from lib_gnn_model.gin.gin_net import GINNet import config class GIN(GNNBase): def __init__(self, num_feats, num_classes, data=None): super(GIN, self).__init__() self.logger = logging.getLogger('gin') self.device = torch.device('cuda' if torch.cuda.is_available() else 'cpu') self.model = GINNet(num_feats, num_classes).to(self.device) self.data = data def train_model(self, num_epochs=100): self.model.train() self.model.reset_parameters() self.model, self.data = self.model.to(self.device), self.data.to(self.device) optimizer = torch.optim.Adam(self.model.parameters(), lr=0.01) for epoch in range(num_epochs): self.logger.info('epoch %s' % (epoch,)) optimizer.zero_grad() output = self.model(self.data)[self.data.train_mask] loss = F.nll_loss(output, self.data.y[self.data.train_mask]) # loss = F.nll_loss(output, self.data.y.squeeze(1)[self.data.train_mask]) loss.backward() optimizer.step() train_acc, test_acc = self.evaluate_model() self.logger.info('train acc: %s, test acc: %s' % (train_acc, test_acc)) def evaluate_model(self): self.model.eval() self.model, self.data = self.model.to(self.device), self.data.to(self.device) logits, accs = self.model(self.data), [] for _, mask in self.data('train_mask', 'test_mask'): pred = logits[mask].max(1)[1] acc = pred.eq(self.data.y[mask]).sum().item() / mask.sum().item() accs.append(acc) return accs if __name__ == '__main__': os.chdir('../../') output_file = None logging.basicConfig(filename=output_file, format='%(levelname)s:%(asctime)s: - %(name)s - : %(message)s', level=logging.DEBUG) dataset_name = 'citeseer' dataset = Planetoid(config.RAW_DATA_PATH, dataset_name, transform=T.NormalizeFeatures()) data = dataset[0] gin = GIN(dataset.num_features, dataset.num_classes, data) gin.train_model()
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Graph-Unlearning
Graph-Unlearning-main/lib_gnn_model/gin/gin_net.py
import torch import torch.nn.functional as F from torch.nn import Sequential, Linear, ReLU from torch_geometric.nn import GINConv class GINNet(torch.nn.Module): def __init__(self, num_feats, num_classes): super(GINNet, self).__init__() dim = 32 nn1 = Sequential(Linear(num_feats, dim), ReLU(), Linear(dim, dim)) self.conv1 = GINConv(nn1) self.bn1 = torch.nn.BatchNorm1d(dim) nn2 = Sequential(Linear(dim, dim), ReLU(), Linear(dim, dim)) self.conv2 = GINConv(nn2) self.bn2 = torch.nn.BatchNorm1d(dim) nn3 = Sequential(Linear(dim, dim), ReLU(), Linear(dim, dim)) self.conv3 = GINConv(nn3) self.bn3 = torch.nn.BatchNorm1d(dim) nn4 = Sequential(Linear(dim, dim), ReLU(), Linear(dim, dim)) self.conv4 = GINConv(nn4) self.bn4 = torch.nn.BatchNorm1d(dim) nn5 = Sequential(Linear(dim, dim), ReLU(), Linear(dim, dim)) self.conv5 = GINConv(nn5) self.bn5 = torch.nn.BatchNorm1d(dim) self.fc1 = Linear(dim, dim) self.fc2 = Linear(dim, num_classes) def forward(self, data, batch=None): x = F.relu(self.conv1(data.x, data.edge_index)) x = self.bn1(x) x = F.relu(self.conv2(x, data.edge_index)) x = self.bn2(x) x = F.relu(self.fc1(x)) x = F.dropout(x, p=0.5, training=self.training) x = self.fc2(x) return F.log_softmax(x, dim=1) def reset_parameters(self): self.conv1.reset_parameters() self.conv2.reset_parameters()
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Graph-Unlearning
Graph-Unlearning-main/lib_gnn_model/gat/gat_net.py
import torch import torch.nn.functional as F from torch_geometric.nn import GATConv class GATNet(torch.nn.Module): def __init__(self, num_feats, num_classes, dropout=0.6): super(GATNet, self).__init__() self.dropout = dropout self.conv1 = GATConv(num_feats, 8, heads=8, dropout=self.dropout, add_self_loops=False) # On the Pubmed dataset, use heads=8 in conv2. self.conv2 = GATConv(8 * 8, num_classes, heads=1, concat=False, dropout=self.dropout, add_self_loops=False) # self.conv2 = GATConv(8 * 8, num_classes, heads=8, concat=False, dropout=self.dropout, add_self_loops=False) self.reset_parameters() def forward(self, data): x = F.dropout(data.x, p=self.dropout, training=self.training) x = F.elu(self.conv1(x, data.edge_index)) x = F.dropout(x, p=self.dropout, training=self.training) x = self.conv2(x, data.edge_index) return F.log_softmax(x, dim=1) def reset_parameters(self): self.conv1.reset_parameters() self.conv2.reset_parameters()
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Graph-Unlearning
Graph-Unlearning-main/lib_gnn_model/gat/gat.py
import logging import os import torch import torch.nn.functional as F import torch_geometric.transforms as T from torch_geometric.datasets import Planetoid import config from lib_gnn_model.gnn_base import GNNBase from lib_gnn_model.gat.gat_net import GATNet class GAT(GNNBase): def __init__(self, num_feats, num_classes, data=None): super(GAT, self).__init__() self.logger = logging.getLogger('gat') self.device = torch.device('cuda' if torch.cuda.is_available() else 'cpu') self.model = GATNet(num_feats, num_classes) self.data = data def train_model(self, num_epoch=100): self.model.train() self.model.reset_parameters() self.model, self.data = self.model.to(self.device), self.data.to(self.device) optimizer = torch.optim.Adam(self.model.parameters(), lr=0.005, weight_decay=0.0001) for epoch in range(num_epoch): self.logger.info('epoch %s' % (epoch,)) optimizer.zero_grad() output = self.model(self.data)[self.data.train_mask] loss = F.nll_loss(output, self.data.y[self.data.train_mask]) loss.backward() optimizer.step() train_acc, test_acc = self.evaluate_model() self.logger.info('train acc: %s, test acc: %s' % (train_acc, test_acc)) def evaluate_model(self): self.model.eval() # self.model, self.data = self.model.to(self.device), self.data.to(self.device) logits, accs = self.model(self.data), [] for _, mask in self.data('train_mask', 'test_mask'): pred = logits[mask].max(1)[1] acc = pred.eq(self.data.y[mask]).sum().item() / mask.sum().item() accs.append(acc) return accs if __name__ == '__main__': os.chdir('../../') output_file = None logging.basicConfig(filename=output_file, format='%(levelname)s:%(asctime)s: - %(name)s - : %(message)s', level=logging.DEBUG) dataset_name = 'cora' dataset = Planetoid(config.RAW_DATA_PATH, dataset_name, transform=T.NormalizeFeatures()) data = dataset[0] gat = GAT(dataset.num_features, dataset.num_classes, data) gat.train_model() # gat.evaluate_model()
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Graph-Unlearning
Graph-Unlearning-main/lib_gnn_model/graphsage/graphsage.py
import os import logging import torch import torch.nn.functional as F import torch_geometric.transforms as T from torch_geometric.datasets import Planetoid from torch_geometric.data import NeighborSampler from lib_gnn_model.graphsage.graphsage_net import SageNet from lib_gnn_model.gnn_base import GNNBase import config class SAGE(GNNBase): def __init__(self, num_feats, num_classes, data=None): super(SAGE, self).__init__() self.logger = logging.getLogger('graphsage') self.device = torch.device('cuda' if torch.cuda.is_available() else 'cpu') # self.device = torch.device('cpu') self.model = SageNet(num_feats, 256, num_classes).to(self.device) self.data = data def train_model(self, num_epochs=100): self.model.train() self.model.reset_parameters() self.model, self.data = self.model.to(self.device), self.data.to(self.device) self.data.y = self.data.y.squeeze().to(self.device) self._gen_train_loader() optimizer = torch.optim.Adam(self.model.parameters(), lr=0.01, weight_decay=0.001) for epoch in range(num_epochs): self.logger.info('epoch %s' % (epoch,)) for batch_size, n_id, adjs in self.train_loader: # `adjs` holds a list of `(edge_index, e_id, size)` tuples. adjs = [adj.to(self.device) for adj in adjs] optimizer.zero_grad() out = self.model(self.data.x[n_id], adjs) loss = F.nll_loss(out, self.data.y[n_id[:batch_size]]) loss.backward() optimizer.step() train_acc, test_acc = self.evaluate_model() self.logger.info(f'Train: {train_acc:.4f}, Test: {test_acc:.4f}') @torch.no_grad() def evaluate_model(self): self.model.eval() self.model, self.data = self.model.to(self.device), self.data.to(self.device) self._gen_subgraph_loader() out = self.model.inference(self.data.x, self.subgraph_loader, self.device) y_true = self.data.y.cpu().unsqueeze(-1) y_pred = out.argmax(dim=-1, keepdim=True) results = [] for mask in [self.data.train_mask, self.data.test_mask]: results += [int(y_pred[mask].eq(y_true[mask]).sum()) / int(mask.sum())] return results def posterior(self): self.model.eval() self.model, self.data = self.model.to(self.device), self.data.to(self.device) self._gen_subgraph_loader() posteriors = self.model.inference(self.data.x, self.subgraph_loader, self.device) for _, mask in self.data('test_mask'): posteriors = F.log_softmax(posteriors[mask], dim=-1) return posteriors.detach() def generate_embeddings(self): self.model.eval() self.model, self.data = self.model.to(self.device), self.data.to(self.device) self._gen_subgraph_loader() logits = self.model.inference(self.data.x, self.subgraph_loader, self.device) return logits def _gen_train_loader(self): if self.data.edge_index.shape[1] == 0: self.data.edge_index = torch.tensor([[1, 2], [2, 1]]) self.train_loader = NeighborSampler(self.data.edge_index, node_idx=self.data.train_mask, # sizes=[25, 10], batch_size=128, shuffle=True, # sizes=[25, 10], num_nodes=self.data.num_nodes, sizes=[10, 10], num_nodes=self.data.num_nodes, # sizes=[5, 5], num_nodes=self.data.num_nodes, # batch_size=128, shuffle=True, batch_size=64, shuffle=True, num_workers=0) def _gen_subgraph_loader(self): self.subgraph_loader = NeighborSampler(self.data.edge_index, node_idx=None, # sizes=[-1], num_nodes=self.data.num_nodes, sizes=[10], num_nodes=self.data.num_nodes, # batch_size=128, shuffle=False, batch_size=64, shuffle=False, num_workers=0) if __name__ == '__main__': os.chdir('../../') output_file = None logging.basicConfig(filename=output_file, format='%(levelname)s:%(asctime)s: - %(name)s - : %(message)s', level=logging.DEBUG) dataset_name = 'cora' dataset = Planetoid(config.RAW_DATA_PATH, dataset_name, transform=T.NormalizeFeatures()) data = dataset[0] graphsage = SAGE(dataset.num_features, dataset.num_classes, data) graphsage.train_model()
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Graph-Unlearning
Graph-Unlearning-main/lib_gnn_model/graphsage/graphsage_net.py
import torch import torch.nn.functional as F from torch_geometric.nn import SAGEConv class SageNet(torch.nn.Module): def __init__(self, in_channels, hidden_channels, out_channels): super(SageNet, self).__init__() self.num_layers = 2 self.convs = torch.nn.ModuleList() self.convs.append(SAGEConv(in_channels, hidden_channels)) self.convs.append(SAGEConv(hidden_channels, out_channels)) def forward(self, x, adjs): # `train_loader` computes the k-hop neighborhood of a batch of nodes, # and returns, for each layer, a bipartite graph object, holding the # bipartite edges `edge_index`, the index `e_id` of the original edges, # and the size/shape `size` of the bipartite graph. # Target nodes are also included in the source nodes so that one can # easily apply skip-connections or add self-loops. for i, (edge_index, _, size) in enumerate(adjs): x_target = x[:size[1]] # Target nodes are always placed first. x = self.convs[i]((x, x_target), edge_index) if i != self.num_layers - 1: x = F.relu(x) x = F.dropout(x, p=0.5, training=self.training) return F.log_softmax(x, dim=-1) def inference(self, x_all, subgraph_loader, device): # Compute representations of nodes layer by layer, using *all* # available edges. This leads to faster computation in contrast to # immediately computing the final representations of each batch. for i in range(self.num_layers): xs = [] for batch_size, n_id, adj in subgraph_loader: edge_index, _, size = adj.to(device) x = x_all[n_id].to(device) x_target = x[:size[1]] x = self.convs[i]((x, x_target), edge_index) if i != self.num_layers - 1: x = F.relu(x) xs.append(x.cpu()) x_all = torch.cat(xs, dim=0) return x_all def reset_parameters(self): for i in range(self.num_layers): self.convs[i].reset_parameters()
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Graph-Unlearning
Graph-Unlearning-main/lib_gnn_model/gcn/gcn_net.py
import torch import torch.nn.functional as F from torch_geometric.nn import GCNConv class GCNNet(torch.nn.Module): def __init__(self, num_feats, num_classes): super(GCNNet, self).__init__() self.conv1 = GCNConv(num_feats, 16, cached=True, add_self_loops=False) self.conv2 = GCNConv(16, num_classes, cached=True, add_self_loops=False) def forward(self, data): x, edge_index, edge_weight = data.x, data.edge_index, data.edge_attr x = F.relu(self.conv1(x, edge_index, edge_weight)) x = F.dropout(x, training=self.training) x = self.conv2(x, edge_index, edge_weight) return F.log_softmax(x, dim=-1) def reset_parameters(self): self.conv1.reset_parameters() self.conv2.reset_parameters()
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Graph-Unlearning-main/lib_gnn_model/gcn/gcn.py
import os import logging import torch import torch.nn.functional as F import torch_geometric.transforms as T from torch_geometric.datasets import Planetoid from lib_gnn_model.gnn_base import GNNBase from lib_gnn_model.gcn.gcn_net import GCNNet import config class GCN(GNNBase): def __init__(self, num_feats, num_classes, data=None): super(GCN, self).__init__() self.logger = logging.getLogger('gcn') self.device = torch.device('cuda' if torch.cuda.is_available() else 'cpu') self.model = GCNNet(num_feats, num_classes) self.data = data def train_model(self, num_epoch=100): self.model.train() self.model.reset_parameters() self.model, self.data = self.model.to(self.device), self.data.to(self.device) optimizer = torch.optim.Adam(self.model.parameters(), lr=0.01) for epoch in range(num_epoch): self.logger.info('epoch %s' % (epoch,)) optimizer.zero_grad() output = self.model(self.data)[self.data.train_mask] loss = F.nll_loss(output, self.data.y[self.data.train_mask]) loss.backward() optimizer.step() train_acc, test_acc = self.evaluate_model() self.logger.info('train acc: %s, test acc: %s' % (train_acc, test_acc)) def evaluate_model(self): self.model.eval() self.model, self.data = self.model.to(self.device), self.data.to(self.device) logits, accs = self.model(self.data), [] for _, mask in self.data('train_mask', 'test_mask'): pred = logits[mask].max(1)[1] acc = pred.eq(self.data.y[mask]).sum().item() / mask.sum().item() accs.append(acc) return accs if __name__ == '__main__': os.chdir('../../') output_file = None logging.basicConfig(filename=output_file, format='%(levelname)s:%(asctime)s: - %(name)s - : %(message)s', level=logging.DEBUG) dataset_name = 'cora' dataset = Planetoid(config.RAW_DATA_PATH, dataset_name, transform=T.NormalizeFeatures()) data = dataset[0] gcn = GCN(dataset.num_features, dataset.num_classes, data) gcn.train_model()
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Graph-Unlearning
Graph-Unlearning-main/lib_gnn_model/mlp/mlp.py
import os import logging import torch import torch.nn.functional as F import torch_geometric.transforms as T from torch_geometric.datasets import Planetoid from lib_gnn_model.gnn_base import GNNBase from lib_gnn_model.mlp.mlpnet import MLPNet import config class MLP(GNNBase): def __init__(self, num_feats, num_classes, data=None): super(MLP, self).__init__() self.logger = logging.getLogger(__name__) self.device = torch.device('cuda' if torch.cuda.is_available() else 'cpu') self.model = MLPNet(num_feats, num_classes) self.data = data def train_model(self, num_epoch=100): self.model.train() self.model, self.data = self.model.to(self.device), self.data.to(self.device) optimizer = torch.optim.Adam(self.model.parameters(), lr=0.01) for epoch in range(num_epoch): self.logger.info('epoch %s' % (epoch,)) optimizer.zero_grad() output = self.model(self.data.x)[self.data.train_mask] # loss = F.nll_loss(output, self.data.y[self.data.train_mask]) loss = torch.nn.CrossEntropyLoss(output, self.data.y[self.data.train_mask].squeeze()) loss.backward() optimizer.step() train_acc, test_acc = self.evaluate_model() self.logger.info('train acc: %s, test acc: %s' % (train_acc, test_acc)) def evaluate_model(self): self.model.eval() self.model, self.data = self.model.to(self.device), self.data.to(self.device) logits, accs = self.model(self.data.x), [] for _, mask in self.data('train_mask', 'test_mask'): pred = logits[mask].max(1)[1] acc = pred.eq(self.data.y[mask]).sum().item() / mask.sum().item() accs.append(acc) return accs def posterior(self): self.model.eval() posteriors = self.model(self.data.x) for _, mask in self.data('test_mask'): posteriors = posteriors[mask] return posteriors if __name__ == '__main__': os.chdir('../../') output_file = None logging.basicConfig(filename=output_file, format='%(levelname)s:%(asctime)s: - %(name)s - : %(message)s', level=logging.DEBUG) dataset_name = 'Cora' dataset = Planetoid(config.RAW_DATA_PATH + dataset_name, dataset_name, transform=T.NormalizeFeatures()) data = dataset[0] gcn = MLP(dataset.num_features, dataset.num_classes, data) gcn.train_model()
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Graph-Unlearning
Graph-Unlearning-main/lib_gnn_model/mlp/mlpnet.py
from torch import nn import torch.nn.functional as F class MLPNet(nn.Module): def __init__(self, input_size, num_classes): super(MLPNet, self).__init__() self.xent = nn.CrossEntropyLoss() self.layers = nn.Sequential( nn.Linear(input_size, 250), nn.Linear(250, 100), nn.Linear(100, num_classes) ) def forward(self, x): x = x.view(x.size(0), -1) x = self.layers(x) return F.softmax(x, dim=1) def loss(self, nodes, labels): scores = self.forward(nodes) return self.xent(scores, labels.squeeze()) def reset_parameters(self): return 0
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py
Graph-Unlearning
Graph-Unlearning-main/exp/exp_graph_partition.py
import logging import time import torch from sklearn.model_selection import train_test_split import numpy as np from torch_geometric.data import Data import torch_geometric as tg import networkx as nx from exp.exp import Exp from lib_utils.utils import connected_component_subgraphs from lib_graph_partition.graph_partition import GraphPartition from lib_utils import utils class ExpGraphPartition(Exp): def __init__(self, args): super(ExpGraphPartition, self).__init__(args) self.logger = logging.getLogger('exp_graph_partition') self.load_data() self.train_test_split() self.gen_train_graph() self.graph_partition() self.generate_shard_data() def load_data(self): self.data = self.data_store.load_raw_data() def train_test_split(self): if self.args['is_split']: self.logger.info('splitting train/test data') self.train_indices, self.test_indices = train_test_split(np.arange((self.data.num_nodes)), test_size=self.args['test_ratio'], random_state=100) self.data_store.save_train_test_split(self.train_indices, self.test_indices) self.data.train_mask = torch.from_numpy(np.isin(np.arange(self.data.num_nodes), self.train_indices)) self.data.test_mask = torch.from_numpy(np.isin(np.arange(self.data.num_nodes), self.test_indices)) else: self.train_indices, self.test_indices = self.data_store.load_train_test_split() self.data.train_mask = torch.from_numpy(np.isin(np.arange(self.data.num_nodes), self.train_indices)) self.data.test_mask = torch.from_numpy(np.isin(np.arange(self.data.num_nodes), self.test_indices)) def gen_train_graph(self): # delete ratio of edges and update the train graph if self.args['ratio_deleted_edges'] != 0: self.logger.debug("Before edge deletion. train data #.Nodes: %f, #.Edges: %f" % ( self.data.num_nodes, self.data.num_edges)) # self._ratio_delete_edges() self.data.edge_index = self._ratio_delete_edges(self.data.edge_index) # decouple train test edges. edge_index = self.data.edge_index.numpy() test_edge_indices = np.logical_or(np.isin(edge_index[0], self.test_indices), np.isin(edge_index[1], self.test_indices)) train_edge_indices = np.logical_not(test_edge_indices) edge_index_train = edge_index[:, train_edge_indices] self.train_graph = nx.Graph() self.train_graph.add_nodes_from(self.train_indices) # use largest connected graph as train graph if self.args['is_prune']: self._prune_train_set() # reconstruct a networkx train graph for u, v in np.transpose(edge_index_train): self.train_graph.add_edge(u, v) self.logger.debug("After edge deletion. train graph #.Nodes: %f, #.Edges: %f" % ( self.train_graph.number_of_nodes(), self.train_graph.number_of_edges())) self.logger.debug("After edge deletion. train data #.Nodes: %f, #.Edges: %f" % ( self.data.num_nodes, self.data.num_edges)) self.data_store.save_train_data(self.data) self.data_store.save_train_graph(self.train_graph) def graph_partition(self): if self.args['is_partition']: self.logger.info('graph partitioning') start_time = time.time() partition = GraphPartition(self.args, self.train_graph, self.data) self.community_to_node = partition.graph_partition() partition_time = time.time() - start_time self.logger.info("Partition cost %s seconds." % partition_time) self.data_store.save_community_data(self.community_to_node) else: self.community_to_node = self.data_store.load_community_data() def generate_shard_data(self): self.logger.info('generating shard data') self.shard_data = {} for shard in range(self.args['num_shards']): train_shard_indices = list(self.community_to_node[shard]) shard_indices = np.union1d(train_shard_indices, self.test_indices) x = self.data.x[shard_indices] y = self.data.y[shard_indices] edge_index = utils.filter_edge_index_1(self.data, shard_indices) data = Data(x=x, edge_index=torch.from_numpy(edge_index), y=y) data.train_mask = torch.from_numpy(np.isin(shard_indices, train_shard_indices)) data.test_mask = torch.from_numpy(np.isin(shard_indices, self.test_indices)) self.shard_data[shard] = data self.data_store.save_shard_data(self.shard_data) def _prune_train_set(self): # extract the the maximum connected component self.logger.debug("Before Prune... #. of Nodes: %f, #. of Edges: %f" % ( self.train_graph.number_of_nodes(), self.train_graph.number_of_edges())) self.train_graph = max(connected_component_subgraphs(self.train_graph), key=len) self.logger.debug("After Prune... #. of Nodes: %f, #. of Edges: %f" % ( self.train_graph.number_of_nodes(), self.train_graph.number_of_edges())) # self.train_indices = np.array(self.train_graph.nodes) def _ratio_delete_edges(self, edge_index): edge_index = edge_index.numpy() unique_indices = np.where(edge_index[0] < edge_index[1])[0] unique_indices_not = np.where(edge_index[0] > edge_index[1])[0] remain_indices = np.random.choice(unique_indices, int(unique_indices.shape[0] * (1.0 - self.args['ratio_deleted_edges'])), replace=False) remain_encode = edge_index[0, remain_indices] * edge_index.shape[1] * 2 + edge_index[1, remain_indices] unique_encode_not = edge_index[1, unique_indices_not] * edge_index.shape[1] * 2 + edge_index[0, unique_indices_not] sort_indices = np.argsort(unique_encode_not) remain_indices_not = unique_indices_not[sort_indices[np.searchsorted(unique_encode_not, remain_encode, sorter=sort_indices)]] remain_indices = np.union1d(remain_indices, remain_indices_not) # self.data.edge_index = torch.from_numpy(edge_index[:, remain_indices]) return torch.from_numpy(edge_index[:, remain_indices])
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py
Graph-Unlearning
Graph-Unlearning-main/exp/exp_attack_unlearning.py
import logging import time from collections import defaultdict import numpy as np import torch import torch_geometric as tg from torch_geometric.data import Data from scipy.spatial import distance import config from exp.exp import Exp from lib_graph_partition.graph_partition import GraphPartition from lib_gnn_model.node_classifier import NodeClassifier from lib_aggregator.aggregator import Aggregator from lib_utils import utils class ExpAttackUnlearning(Exp): def __init__(self, args): super(ExpAttackUnlearning, self).__init__(args) self.logger = logging.getLogger('exp_attack_unlearning') # 1. respond to the unlearning requests self.load_preprocessed_data() # self.graph_unlearning_request_respond() if self.args['repartition']: with open(config.MODEL_PATH + self.args['dataset_name'] + '/' + self.args['target_model']+"_unlearned_indices") as file: node_unlearning_indices = [line.rstrip() for line in file] for unlearned_node in node_unlearning_indices: self.graph_unlearning_request_respond(int(unlearned_node)) else: self.graph_unlearning_request_respond() # 2. evalute the attack performance self.attack_graph_unlearning() def load_preprocessed_data(self): self.shard_data = self.data_store.load_shard_data() self.raw_data = self.data_store.load_raw_data() self.train_data = self.data_store.load_train_data() self.train_graph = self.data_store.load_train_graph() self.train_indices, self.test_indices = self.data_store.load_train_test_split() self.community_to_node = self.data_store.load_community_data() num_feats = self.train_data.num_features num_classes = len(self.train_data.y.unique()) self.target_model = NodeClassifier(num_feats, num_classes, self.args) def graph_unlearning_request_respond(self, node_unlearning_request=None): # reindex the node ids node_to_com = self.data_store.c2n_to_n2c(self.community_to_node) train_indices_prune = list(node_to_com.keys()) if node_unlearning_request==None: # generate node unlearning requests node_unlearning_indices = np.random.choice(train_indices_prune, self.args['num_unlearned_nodes']) else: node_unlearning_indices = np.array([node_unlearning_request]) self.num_unlearned_edges =0 unlearning_indices = defaultdict(list) for node in node_unlearning_indices: unlearning_indices[node_to_com[node]].append(node) # delete a list of revoked nodes from train_graph self.train_graph.remove_nodes_from(node_unlearning_indices) # delete the revoked nodes from train_data # by building unlearned data from unlearned train_graph self.train_data.train_mask = torch.from_numpy(np.isin(np.arange(self.train_data.num_nodes), self.train_indices)) self.train_data.test_mask = torch.from_numpy(np.isin(np.arange(self.train_data.num_nodes), np.append(self.test_indices, node_unlearning_indices))) # delete the revoked nodes from shard_data self.shard_data_after_unlearning = {} self.affected_shard=[] for shard in range(self.args["num_shards"]): train_shard_indices = list(self.community_to_node[shard]) # node unlearning train_shard_indices = np.setdiff1d(train_shard_indices, unlearning_indices[shard]) shard_indices = np.union1d(train_shard_indices, self.test_indices) x = self.train_data.x[shard_indices] y = self.train_data.y[shard_indices] edge_index = utils.filter_edge_index_1(self.train_data, shard_indices) data = Data(x=x, edge_index=torch.from_numpy(edge_index), y=y) data.train_mask = torch.from_numpy(np.isin(shard_indices, train_shard_indices)) data.test_mask = torch.from_numpy(np.isin(shard_indices, self.test_indices)) self.shard_data_after_unlearning[shard] = data self.num_unlearned_edges += self.shard_data[shard].num_edges - self.shard_data_after_unlearning[shard].num_edges # find the affected shard model if self.shard_data_after_unlearning[shard].num_nodes != self.shard_data[shard].num_nodes: self.affected_shard.append(shard) self.data_store.save_unlearned_data(self.train_graph, 'train_graph') self.data_store.save_unlearned_data(self.train_data, 'train_data') self.data_store.save_unlearned_data(self.shard_data_after_unlearning, 'shard_data') # retrain the correponding shard model if not self.args['repartition']: for shard in self.affected_shard: suffix = "unlearned_"+str(node_unlearning_indices[0]) self._train_shard_model(shard, suffix) # (if re-partition, re-partition the remaining graph) # re-train the shard model, save model and optimal weight score if self.args['repartition']: suffix="_repartition_unlearned_" + str(node_unlearning_indices[0]) self._repartition(suffix) for shard in range(self.args["num_shards"]): self._train_shard_model(shard, suffix) def _repartition(self, suffix): # load unlearned train_graph and train_data train_graph = self.data_store.load_unlearned_data('train_graph') train_data = self.data_store.load_unlearned_data('train_data') # repartition start_time = time.time() partition = GraphPartition(self.args, train_graph, train_data) community_to_node = partition.graph_partition() partition_time = time.time() - start_time self.logger.info("Partition cost %s seconds." % partition_time) # save the new partition and shard self.data_store.save_community_data(community_to_node, suffix) self._generate_unlearned_repartitioned_shard_data(train_data, community_to_node, self.test_indices) def _generate_unlearned_repartitioned_shard_data(self, train_data, community_to_node, test_indices): self.logger.info('generating shard data') shard_data = {} for shard in range(self.args['num_shards']): train_shard_indices = list(community_to_node[shard]) shard_indices = np.union1d(train_shard_indices, test_indices) x = self.train_data.x[shard_indices] y = self.train_data.y[shard_indices] edge_index = utils.filter_edge_index_1(train_data, shard_indices) data = Data(x=x, edge_index=torch.from_numpy(edge_index), y=y) data.train_mask = torch.from_numpy(np.isin(shard_indices, train_shard_indices)) data.test_mask = torch.from_numpy(np.isin(shard_indices, test_indices)) shard_data[shard] = data # self.data_store.save_unlearned_data(shard_data, 'shard_data_repartition') return shard_data def _train_shard_model(self, shard, suffix="unlearned"): self.logger.info('training target models, shard %s' % shard) # load shard data self.target_model.data = self.shard_data_after_unlearning[shard] # retrain shard model self.target_model.train_model() # replace shard model device=torch.device("cpu") self.target_model.device = device self.data_store.save_target_model(0, self.target_model, shard, suffix) # self.data_store.save_unlearned_target_model(0, self.target_model, shard, suffix) def attack_graph_unlearning(self): # load unlearned indices with open(config.MODEL_PATH + self.args['dataset_name'] + "/" + self.args['target_model'] +"_unlearned_indices") as file: unlearned_indices = [line.rstrip() for line in file] # member sample query, label as 1 positive_posteriors = self._query_target_model(unlearned_indices, unlearned_indices) # non-member sample query, label as 0 negative_posteriors = self._query_target_model(unlearned_indices, self.test_indices) # evaluate attack performance, train multiple shadow models, or calculate posterior entropy, or directly calculate AUC. self.evaluate_attack_performance(positive_posteriors, negative_posteriors) def _query_target_model(self, unlearned_indices, test_indices): # load unlearned data train_data = self.data_store.load_unlearned_data('train_data') # load optimal weight score # optimal_weight=self.data_store.load_optimal_weight(0) # calculate the final posterior, save as attack feature self.logger.info('aggregating submodels') posteriors_a, posteriors_b, posteriors_c =[],[],[] for i in unlearned_indices: community_to_node = self.data_store.load_community_data('') shard_data = self._generate_unlearned_repartitioned_shard_data(train_data, community_to_node, int(i)) posteriors_a.append(self._generate_posteriors(shard_data, '')) suffix="unlearned_" + str(i) posteriors_b.append(self._generate_posteriors_unlearned(shard_data, suffix, i)) if self.args['repartition']: suffix = "_repartition_unlearned_" + str(i) community_to_node = self.data_store.load_community_data(suffix) shard_data = self._generate_unlearned_repartitioned_shard_data(train_data, community_to_node, int(i)) suffix = "__repartition_unlearned_" + str(i) posteriors_c.append(self._generate_posteriors(shard_data, suffix)) return posteriors_a, posteriors_b, posteriors_c def _generate_posteriors_unlearned(self, shard_data, suffix, unlearned_indice): import glob model_path=glob.glob(config.MODEL_PATH+self.args['dataset_name']+"/*_1unlearned_"+str(unlearned_indice)) if not model_path: self.logger.info("No corresponding unlearned shard model for node %s" % str(unlearned_indice)) return torch.tensor([0]*6) else: affected_shard = int(model_path[0].split('/')[-1].split('_')[-4]) posteriors = [] for shard in range(self.args['num_shards']): if shard == affected_shard: # load the retrained the shard model self.data_store.load_target_model(0, self.target_model, shard, suffix) else: # self.target_model.model.reset_parameters() # load unaffected shard model self.data_store.load_target_model(0, self.target_model, shard, '') self.device = torch.device('cuda:3' if torch.cuda.is_available() else 'cpu') self.target_model.model = self.target_model.model.to(self.device) self.target_model.data = shard_data[shard].to(self.device) posteriors.append(self.target_model.posterior()) return torch.mean(torch.cat(posteriors, dim=0), dim=0) def _generate_posteriors(self, shard_data, suffix): posteriors = [] for shard in range(self.args['num_shards']): # self.target_model.model.reset_parameters() self.data_store.load_target_model(0, self.target_model, shard, suffix) self.device = torch.device('cuda:3' if torch.cuda.is_available() else 'cpu') self.target_model.model = self.target_model.model.to(self.device) self.target_model.data = shard_data[shard].to(self.device) posteriors.append(self.target_model.posterior()) return torch.mean(torch.cat(posteriors, dim=0), dim=0) def evaluate_attack_performance(self, positive_posteriors, negative_posteriors): # constrcut attack data label = torch.cat((torch.ones(len(positive_posteriors[0])), torch.zeros(len(negative_posteriors[0])))) data={} for i in range(2): data[i] = torch.cat((torch.stack(positive_posteriors[i]), torch.stack(negative_posteriors[i])),0) # calculate l2 distance model_b_distance = self._calculate_distance(data[0], data[1]) # directly calculate AUC with feature and labels attack_auc_b = self.evaluate_attack_with_AUC(model_b_distance, label) if self.args['repartition']: model_c_distance = self._calculate_distance(data[0], data[2]) attack_auc_c = self.evaluate_attack_with_AUC(model_c_distance, label) self.logger.info("Attack_Model_B AUC: %s | Attack_Model_C AUC: %s" % (attack_auc_b, attack_auc_c)) def evaluate_attack_with_AUC(self, data, label): from sklearn.metrics import roc_auc_score self.logger.info("Directly calculate the attack AUC") return roc_auc_score(label, data.reshape(-1, 1)) def _calculate_distance(self, data0, data1, distance='l2_norm' ): if distance == 'l2_norm': return np.array([np.linalg.norm(data0[i]-data1[i]) for i in range(len(data0))]) elif distance =='direct_diff': return data0 - data1 else: raise Exception("Unsupported distance")
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Graph-Unlearning
Graph-Unlearning-main/exp/exp_node_edge_unlearning.py
import logging import pickle import time from collections import defaultdict import numpy as np import torch from torch_geometric.data import Data import config from exp.exp import Exp from lib_gnn_model.graphsage.graphsage import SAGE from lib_gnn_model.gat.gat import GAT from lib_gnn_model.gin.gin import GIN from lib_gnn_model.gcn.gcn import GCN from lib_gnn_model.mlp.mlp import MLP from lib_gnn_model.node_classifier import NodeClassifier from lib_aggregator.aggregator import Aggregator from lib_utils import utils class ExpNodeEdgeUnlearning(Exp): def __init__(self, args): super(ExpNodeEdgeUnlearning, self).__init__(args) self.logger = logging.getLogger('exp_node_edge_unlearning') self.target_model_name = self.args['target_model'] self.load_data() self.determine_target_model() self.run_exp() def run_exp(self): # unlearning efficiency run_f1 = np.empty((0)) unlearning_time = np.empty((0)) for run in range(self.args['num_runs']): self.logger.info("Run %f" % run) self.train_target_models(run) aggregate_f1_score = self.aggregate(run) # node_unlearning_time = self.unlearning_time_statistic() node_unlearning_time = 0 run_f1 = np.append(run_f1, aggregate_f1_score) unlearning_time = np.append(unlearning_time, node_unlearning_time) self.num_unlearned_edges = 0 # model utility self.f1_score_avg = np.average(run_f1) self.f1_score_std = np.std(run_f1) self.unlearning_time_avg = np.average(unlearning_time) self.unlearning_time_std = np.std(unlearning_time) self.logger.info( "%s %s %s %s" % (self.f1_score_avg, self.f1_score_std, self.unlearning_time_avg, self.unlearning_time_std)) def load_data(self): self.shard_data = self.data_store.load_shard_data() self.raw_data = self.data_store.load_raw_data() self.train_data = self.data_store.load_train_data() self.unlearned_shard_data = self.shard_data def determine_target_model(self): num_feats = self.train_data.num_features num_classes = len(self.train_data.y.unique()) if not self.args['is_use_batch']: if self.target_model_name == 'SAGE': self.target_model = SAGE(num_feats, num_classes) elif self.target_model_name == 'GCN': self.target_model = GCN(num_feats, num_classes) elif self.target_model_name == 'GAT': self.target_model = GAT(num_feats, num_classes) elif self.target_model_name == 'GIN': self.target_model = GIN(num_feats, num_classes) else: raise Exception('unsupported target model') else: if self.target_model_name == 'MLP': self.target_model = MLP(num_feats, num_classes) else: self.target_model = NodeClassifier(num_feats, num_classes, self.args) def train_target_models(self, run): if self.args['is_train_target_model']: self.logger.info('training target models') self.time = {} for shard in range(self.args['num_shards']): self.time[shard] = self._train_model(run, shard) def aggregate(self, run): self.logger.info('aggregating submodels') # posteriors, true_label = self.generate_posterior() aggregator = Aggregator(run, self.target_model, self.train_data, self.unlearned_shard_data, self.args) aggregator.generate_posterior() self.aggregate_f1_score = aggregator.aggregate() self.logger.info("Final Test F1: %s" % (self.aggregate_f1_score,)) return self.aggregate_f1_score def _generate_unlearning_request(self, num_unlearned="assign"): node_list = [] for key, value in self.community_to_node.items(): # node_list.extend(value.tolist()) node_list.extend(value) if num_unlearned == "assign": num_of_unlearned_nodes = self.args['num_unlearned_nodes'] elif num_unlearned == "ratio": num_of_unlearned_nodes = int(self.args['ratio_unlearned_nodes'] * len(node_list)) if self.args['unlearning_request'] == 'random': unlearned_nodes_indices = np.random.choice(node_list, num_of_unlearned_nodes, replace=False) elif self.args['unlearning_request'] == 'top1': sorted_shards = sorted(self.community_to_node.items(), key=lambda x: len(x[1]), reverse=True) unlearned_nodes_indices = np.random.choice(sorted_shards[0][1], num_of_unlearned_nodes, replace=False) elif self.args['unlearning_request'] == 'adaptive': sorted_shards = sorted(self.community_to_node.items(), key=lambda x: len(x[1]), reverse=True) candidate_list = np.concatenate([sorted_shards[i][1] for i in range(int(self.args['num_shards']/2)+1)], axis=0) unlearned_nodes_indices = np.random.choice(candidate_list, num_of_unlearned_nodes, replace=False) elif self.args['unlearning_request'] == 'last5': sorted_shards = sorted(self.community_to_node.items(), key=lambda x: len(x[1]), reverse=False) candidate_list = np.concatenate([sorted_shards[i][1] for i in range(int(self.args['num_shards']/2)+1)], axis=0) unlearned_nodes_indices = np.random.choice(candidate_list, num_of_unlearned_nodes, replace=False) return unlearned_nodes_indices def unlearning_time_statistic(self): if self.args['is_train_target_model'] and self.args['num_shards'] != 1: # random sample 5% nodes, find their belonging communities unlearned_nodes = self._generate_unlearning_request(num_unlearned="ratio") belong_community = [] for sample_node in range(len(unlearned_nodes)): for community, node in self.community_to_node.items(): if np.in1d(unlearned_nodes[sample_node], node).any(): belong_community.append(community) # calculate the total unlearning time and group unlearning time group_unlearning_time = [] node_unlearning_time = [] for shard in range(self.args['num_shards']): if belong_community.count(shard) != 0: group_unlearning_time.append(self.time[shard]) node_unlearning_time.extend([float(self.time[shard]) for j in range(belong_community.count(shard))]) return node_unlearning_time elif self.args['is_train_target_model'] and self.args['num_shards'] == 1: return self.time[0] else: return 0 def _train_model(self, run, shard): self.logger.info('training target models, run %s, shard %s' % (run, shard)) start_time = time.time() self.target_model.data = self.unlearned_shard_data[shard] self.target_model.train_model() train_time = time.time() - start_time self.data_store.save_target_model(run, self.target_model, shard) return train_time
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42.606061
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py
Graph-Unlearning
Graph-Unlearning-main/lib_dataset/data_store.py
import os import pickle import logging import shutil import numpy as np import torch from torch_geometric.datasets import Planetoid, Coauthor import torch_geometric.transforms as T import config class DataStore: def __init__(self, args): self.logger = logging.getLogger('data_store') self.args = args self.dataset_name = self.args['dataset_name'] self.num_features = { "cora": 1433, "pubmed": 500, "citeseer": 3703, "Coauthor_CS": 6805, "Coauthor_Phys": 8415 } self.partition_method = self.args['partition_method'] self.num_shards = self.args['num_shards'] self.target_model = self.args['target_model'] self.determine_data_path() def determine_data_path(self): embedding_name = '_'.join(('embedding', self._extract_embedding_method(self.partition_method), str(self.args['ratio_deleted_edges']))) community_name = '_'.join(('community', self.partition_method, str(self.num_shards), str(self.args['ratio_deleted_edges']))) shard_name = '_'.join(('shard_data', self.partition_method, str(self.num_shards), str(self.args['shard_size_delta']), str(self.args['ratio_deleted_edges']))) target_model_name = '_'.join((self.target_model, self.partition_method, str(self.num_shards), str(self.args['shard_size_delta']), str(self.args['ratio_deleted_edges']))) optimal_weight_name = '_'.join((self.target_model, self.partition_method, str(self.num_shards), str(self.args['shard_size_delta']), str(self.args['ratio_deleted_edges']))) processed_data_prefix = config.PROCESSED_DATA_PATH + self.dataset_name + "/" self.train_test_split_file = processed_data_prefix + "train_test_split" + str(self.args['test_ratio']) self.train_data_file = processed_data_prefix + "train_data" self.train_graph_file = processed_data_prefix + "train_graph" self.embedding_file = processed_data_prefix + embedding_name self.community_file = processed_data_prefix + community_name self.shard_file = processed_data_prefix + shard_name self.unlearned_file = processed_data_prefix+ '_'.join(('unlearned', str(self.args['num_unlearned_nodes']))) self.target_model_file = config.MODEL_PATH + self.dataset_name + '/' + target_model_name self.optimal_weight_file = config.ANALYSIS_PATH + 'optimal/' + self.dataset_name + '/' + optimal_weight_name self.posteriors_file = config.ANALYSIS_PATH + 'posteriors/' + self.dataset_name + '/' + target_model_name dir_lists = [s + self.dataset_name for s in [config.PROCESSED_DATA_PATH, config.MODEL_PATH, config.ANALYSIS_PATH + 'optimal/', config.ANALYSIS_PATH + 'posteriors/']] for dir in dir_lists: self._check_and_create_dirs(dir) def _check_and_create_dirs(self, folder): if not os.path.exists(folder): try: self.logger.info("checking directory %s", folder) os.makedirs(folder, exist_ok=True) self.logger.info("new directory %s created", folder) except OSError as error: self.logger.info("deleting old and creating new empty %s", folder) shutil.rmtree(folder) os.mkdir(folder) self.logger.info("new empty directory %s created", folder) else: self.logger.info("folder %s exists, do not need to create again.", folder) def load_raw_data(self): self.logger.info('loading raw data') if not self.args['is_use_node_feature']: self.transform = T.Compose([ T.OneHotDegree(-2, cat=False) # use only node degree as node feature. ]) else: self.transform = None if self.dataset_name in ["cora", "pubmed", "citeseer"]: dataset = Planetoid(config.RAW_DATA_PATH, self.dataset_name, transform=T.NormalizeFeatures()) labels = np.unique(dataset.data.y.numpy()) elif self.dataset_name in ["Coauthor_CS", "Coauthor_Phys"]: if self.dataset_name == "Coauthor_Phys": dataset = Coauthor(config.RAW_DATA_PATH, name="Physics", pre_transform=self.transform) else: dataset = Coauthor(config.RAW_DATA_PATH, name="CS", pre_transform=self.transform) else: raise Exception('unsupported dataset') data = dataset[0] return data def save_train_data(self, train_data): self.logger.info('saving train data') pickle.dump(train_data, open(self.train_data_file, 'wb')) def load_train_data(self): self.logger.info('loading train data') return pickle.load(open(self.train_data_file, 'rb')) def save_train_graph(self, train_data): self.logger.info('saving train graph') pickle.dump(train_data, open(self.train_graph_file, 'wb')) def load_train_graph(self): self.logger.info('loading train graph') return pickle.load(open(self.train_graph_file, 'rb')) def save_train_test_split(self, train_indices, test_indices): self.logger.info('saving train test split data') pickle.dump((train_indices, test_indices), open(self.train_test_split_file, 'wb')) def load_train_test_split(self): self.logger.info('loading train test split data') return pickle.load(open(self.train_test_split_file, 'rb')) def save_embeddings(self, embeddings): self.logger.info('saving embedding data') pickle.dump(embeddings, open(self.embedding_file, 'wb')) def load_embeddings(self): self.logger.info('loading embedding data') return pickle.load(open(self.embedding_file, 'rb')) def save_community_data(self, community_to_node, suffix=''): self.logger.info('saving community data') pickle.dump(community_to_node, open(self.community_file + suffix, 'wb')) def load_community_data(self, suffix=''): self.logger.info('loading community data from: %s'%(self.community_file + suffix)) return pickle.load(open(self.community_file + suffix, 'rb')) def c2n_to_n2c(self, community_to_node): node_list = [] for i in range(self.num_shards): node_list.extend(list(community_to_node.values())[i]) node_to_community = {} for comm, nodes in dict(community_to_node).items(): for node in nodes: # Map node id back to original graph # node_to_community[node_list[node]] = comm node_to_community[node] = comm return node_to_community def save_shard_data(self, shard_data): self.logger.info('saving shard data') pickle.dump(shard_data, open(self.shard_file, 'wb')) def load_shard_data(self): self.logger.info('loading shard data') return pickle.load(open(self.shard_file, 'rb')) def load_unlearned_data(self, suffix): file_path = '_'.join((self.unlearned_file, suffix)) self.logger.info('loading unlearned data from %s' % file_path) return pickle.load(open(file_path, 'rb')) def save_unlearned_data(self, data, suffix): self.logger.info('saving unlearned data %s' % suffix) pickle.dump(data, open('_'.join((self.unlearned_file, suffix)), 'wb')) def save_target_model(self, run, model, shard, suffix=''): if self.args["exp"] in ["node_edge_unlearning", "attack_unlearning"]: model_path = '_'.join((self.target_model_file, str(shard), str(run), str(self.args['num_unlearned_nodes']))) + suffix model.save_model(model_path) else: model.save_model(self.target_model_file + '_' + str(shard) + '_' + str(run)) # model.save_model(self.target_model_file + '_' + str(shard)) def load_target_model(self, run, model, shard, suffix=''): if self.args["exp"] == "node_edge_unlearning": model.load_model( '_'.join((self.target_model_file, str(shard), str(run), str(self.args['num_unlearned_nodes'])))) elif self.args["exp"] == "attack_unlearning": model_path = '_'.join((self.target_model_file, str(shard), str(run), str(self.args['num_unlearned_nodes']))) + suffix print("loading target model from:" + model_path) device = torch.device('cpu') model.load_model(model_path) model.device=device else: # model.load_model(self.target_model_file + '_' + str(shard) + '_' + str(run)) model.load_model(self.target_model_file + '_' + str(shard) + '_' + str(0)) def save_optimal_weight(self, weight, run): torch.save(weight, self.optimal_weight_file + '_' + str(run)) def load_optimal_weight(self, run): return torch.load(self.optimal_weight_file + '_' + str(run)) def save_posteriors(self, posteriors, run, suffix=''): torch.save(posteriors, self.posteriors_file + '_' + str(run) + suffix) def load_posteriors(self, run): return torch.load(self.posteriors_file + '_' + str(run)) def _extract_embedding_method(self, partition_method): return partition_method.split('_')[0]
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44.421801
129
py
ZINBAE
ZINBAE-master/ZINBAE.py
""" Implementation of ZINBAE model """ from time import time import numpy as np from keras.models import Model import keras.backend as K from keras.engine.topology import Layer, InputSpec from keras.layers import Dense, Input, GaussianNoise, Layer, Activation, Lambda, Multiply, BatchNormalization, Reshape, Concatenate, RepeatVector, Permute from keras.models import Model from keras.optimizers import SGD, Adam, RMSprop from keras.utils.vis_utils import plot_model from keras.callbacks import EarlyStopping from sklearn.cluster import KMeans from sklearn import metrics import h5py import scanpy.api as sc from layers import ConstantDispersionLayer, SliceLayer, ColWiseMultLayer from loss import poisson_loss, NB, ZINB, mse_loss_v2 from preprocess import read_dataset, normalize import tensorflow as tf from numpy.random import seed seed(2211) from tensorflow import set_random_seed set_random_seed(2211) MeanAct = lambda x: tf.clip_by_value(K.exp(x), 1e-5, 1e6) DispAct = lambda x: tf.clip_by_value(tf.nn.softplus(x), 1e-4, 1e4) def mean_MSE(x_impute, x_real): return np.mean(np.square(np.log(x_impute+1)-np.log(x_real+1))) def imputate_error(x_impute, x_real, x_raw): x_impute_log = np.log(x_impute[(x_raw-x_real)<0]+1) x_real_log = np.log(x_real[(x_raw-x_real)<0]+1) return np.sum(np.abs(x_impute_log-x_real_log))/np.sum(x_real_log>0) def autoencoder(dims, noise_sd=0, init='glorot_uniform', act='relu'): """ Fully connected auto-encoder model, symmetric. Arguments: dims: list of number of units in each layer of encoder. dims[0] is input dim, dims[-1] is units in hidden layer. The decoder is symmetric with encoder. So number of layers of the auto-encoder is 2*len(dims)-1 act: activation, not applied to Input, Hidden and Output layers return: Model of autoencoder """ n_stacks = len(dims) - 1 # input sf_layer = Input(shape=(1,), name='size_factors') x = Input(shape=(dims[0],), name='counts') h = x h = GaussianNoise(noise_sd, name='input_noise')(h) # internal layers in encoder for i in range(n_stacks-1): h = Dense(dims[i + 1], kernel_initializer=init, name='encoder_%d' % i)(h) h = BatchNormalization(center=True, scale=False, name='encoder_batchnorm_%d' % i)(h) h = Activation(act, name='encoder_act_%d' % i)(h) # hidden layer h = Dense(dims[-1], kernel_initializer=init, name='encoder_hidden')(h) # hidden layer, features are extracted from here h = BatchNormalization(center=True, scale=False, name='encoder_hidden_batchnorm_%d' % i)(h) h = Activation(act, name='encoder_hidden_act')(h) # internal layers in decoder for i in range(n_stacks-1, 0, -1): h = Dense(dims[i], kernel_initializer=init, name='decoder_%d' % i)(h) h = BatchNormalization(center=True, scale=False, name='decoder_batchnorm_%d' % i)(h) h = Activation(act, name='decoder_act_%d' % i)(h) # output pi = Dense(dims[0], activation='sigmoid', kernel_initializer=init, name='pi')(h) disp = Dense(dims[0], activation=DispAct, kernel_initializer=init, name='dispersion')(h) mean = Dense(dims[0], activation=MeanAct, kernel_initializer=init, name='mean')(h) output = ColWiseMultLayer(name='output')([mean, sf_layer]) output = SliceLayer(0, name='slice')([output, disp, pi]) return Model(inputs=[x, sf_layer], outputs=output) ### Gumbel-softmax layer ### def sampling_gumbel(shape, eps=1e-8): u = tf.random_uniform(shape, minval=0., maxval=1) return -tf.log(-tf.log(u+eps)+eps) def compute_softmax(logits,temp): z = logits + sampling_gumbel( K.shape(logits) ) return K.softmax( z / temp ) def gumbel_softmax(args): logits,temp = args y = compute_softmax(logits,temp) return y class ZINB_AE(object): def __init__(self, dims, noise_sd=0, ridge=0, debug=False, eps = 1e-20): self.dims = dims self.input_dim = dims[0] self.n_stacks = len(self.dims) - 1 self.noise_sd = noise_sd self.act = 'relu' self.ridge = ridge self.debug = debug self.eps = eps self.autoencoder = autoencoder(self.dims, noise_sd=self.noise_sd, act = self.act) pi = self.autoencoder.get_layer(name='pi').output disp = self.autoencoder.get_layer(name='dispersion').output zinb = ZINB(pi, theta=disp, ridge_lambda=self.ridge, debug=self.debug) self.zinb_loss = zinb.loss # zero-inflated outputs tau_input = Input(shape=(self.dims[0],), name='tau_input') pi_ = self.autoencoder.get_layer('pi').output mean_ = self.autoencoder.output pi_log_ = Lambda(lambda x:tf.log(x+self.eps))(pi_) nondrop_pi_log_ = Lambda(lambda x:tf.log(1-x+self.eps))(pi_) pi_log_ = Reshape( target_shape=(self.dims[0],1) )(pi_log_) nondrop_pi_log_ = Reshape( target_shape=(self.dims[0],1) )(nondrop_pi_log_) logits = Concatenate(axis=-1)([pi_log_,nondrop_pi_log_]) temp_ = RepeatVector( 2 )(tau_input) temp_ = Permute( (2,1) )(temp_) samples_ = Lambda( gumbel_softmax,output_shape=(self.dims[0],2,) )( [logits,temp_] ) samples_ = Lambda( lambda x:x[:,:,1] )(samples_) samples_ = Reshape( target_shape=(self.dims[0],) )(samples_) output_ = Multiply(name='ZI_output')([mean_, samples_]) self.model = Model(inputs=[self.autoencoder.input[0], self.autoencoder.input[1], tau_input], outputs=[output_, self.autoencoder.output]) def pretrain(self, x, x_count, batch_size=256, epochs=200, optimizer='adam', ae_file='ae_weights.h5'): print('...Pretraining autoencoder...') self.autoencoder.compile(loss=self.zinb_loss, optimizer=optimizer) es = EarlyStopping(monitor="loss", patience=50, verbose=1) self.autoencoder.fit(x=x, y=x_count, batch_size=batch_size, epochs=epochs, callbacks=[es], shuffle=True) self.autoencoder.save_weights(ae_file) print('Pretrained weights are saved to ./' + str(ae_file)) self.pretrained = True def fit(self, x, x_count, batch_size=256, maxiter=2e3, ae_weights=None, loss_weights=[0.01, 1], optimizer='adam', model_file='model_weight.h5'): self.model.compile(loss={'ZI_output': mse_loss_v2, 'slice': self.zinb_loss}, loss_weights=loss_weights, optimizer=optimizer) if not self.pretrained and ae_weights is None: print('...pretraining autoencoders using default hyper-parameters:') print(' optimizer=\'adam\'; epochs=200') self.pretrain(x, x_count, batch_size) self.pretrained = True elif ae_weights is not None: self.autoencoder.load_weights(ae_weights) print('ae_weights is loaded successfully.') # anneal tau tau0 = 1. min_tau = 0.5 anneal_rate = 0.0003 tau = tau0 # es = EarlyStopping(monitor="loss", patience=20, verbose=1) for e in range(maxiter): if e % 100 == 0: tau = max( tau0*np.exp( -anneal_rate * e),min_tau ) tau_in = np.ones( x[0].shape,dtype='float32' ) * tau print(tau) print("Epoch %d/%d" % (e, maxiter)) self.model.fit(x=[x[0], x[1], tau_in], y=x_count, batch_size=batch_size, epochs=1, shuffle=True) self.model.save_weights(model_file) if __name__ == "__main__": # setting the hyper parameters import argparse parser = argparse.ArgumentParser(description='train', formatter_class=argparse.ArgumentDefaultsHelpFormatter) parser.add_argument('--batch_size', default=256, type=int) parser.add_argument('--data_file', default='data.h5') parser.add_argument('--pretrain_epochs', default=300, type=int) parser.add_argument('--max_iters', default=2000, type=int) parser.add_argument('--gamma', default=.01, type=float) parser.add_argument('--ae_weights', default=None) parser.add_argument('--ae_weight_file', default='ae_weights.h5') parser.add_argument('--model_weight_file', default='model_weights.h5') args = parser.parse_args() # load dataset optimizer = Adam(amsgrad=True) data_mat = h5py.File(args.data_file) x = np.array(data_mat['X']) y = np.array(data_mat['Y']) true_count = np.array(data_mat['true_count']) data_mat.close() x = np.floor(x) # preprocessing scRNA-seq read counts matrix adata = sc.AnnData(x) adata.obs['Group'] = y adata = read_dataset(adata, transpose=False, test_split=False, copy=True) adata = normalize(adata, size_factors=True, normalize_input=True, logtrans_input=True) input_size = adata.n_vars print(adata.X.shape) print(y.shape) x_sd = adata.X.std(0) x_sd_median = np.median(x_sd) print("median of gene sd: %.5f" % x_sd_median) print(args) zinbae_model = ZINB_AE(dims=[input_size, 64, 32], noise_sd=2.5) zinbae_model.autoencoder.summary() zinbae_model.model.summary() # Pretrain autoencoders before clustering if args.ae_weights is None: zinbae_model.pretrain(x=[adata.X, adata.obs.size_factors], x_count=adata.raw.X, batch_size=args.batch_size, epochs=args.pretrain_epochs, optimizer=optimizer, ae_file=args.ae_weight_file) zinbae_model.fit(x=[adata.X, adata.obs.size_factors], x_count=[adata.raw.X, adata.raw.X], batch_size=args.batch_size, ae_weights=args.ae_weights, maxiter=args.max_iters, loss_weights=[args.gamma, 1], optimizer=optimizer, model_file=args.model_weight_file) # Impute error x_impute = zinbae_model.autoencoder.predict(x=[adata.X, adata.obs.size_factors]) raw_error = imputate_error(adata.raw.X, true_count, x_raw=adata.raw.X) imputation_error = imputate_error(x_impute, true_count, x_raw=adata.raw.X) print("Before imputation error: %.4f, after imputation error: %.4f" % (raw_error, imputation_error))
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39.636364
154
py
ZINBAE
ZINBAE-master/loss.py
import numpy as np import tensorflow as tf from keras import backend as K def _nan2zero(x): return tf.where(tf.is_nan(x), tf.zeros_like(x), x) def _nan2inf(x): return tf.where(tf.is_nan(x), tf.zeros_like(x)+np.inf, x) def _nelem(x): nelem = tf.reduce_sum(tf.cast(~tf.is_nan(x), tf.float32)) return tf.cast(tf.where(tf.equal(nelem, 0.), 1., nelem), x.dtype) def _reduce_mean(x): nelem = _nelem(x) x = _nan2zero(x) return tf.divide(tf.reduce_sum(x), nelem) def mse_loss(y_true, y_pred): ret = tf.square(y_pred - y_true) return _reduce_mean(ret) def mse_loss_v2(y_true, y_pred): y_true = tf.log(y_true+1) y_pred = tf.log(y_pred+1) ret = tf.square(y_pred - y_true) return _reduce_mean(ret) class NB(object): def __init__(self, theta=None, masking=False, scope='nbinom_loss/', scale_factor=1.0, debug=False): # for numerical stability self.eps = 1e-10 self.scale_factor = scale_factor self.debug = debug self.scope = scope self.masking = masking self.theta = theta def loss(self, y_true, y_pred, mean=True): scale_factor = self.scale_factor eps = self.eps with tf.name_scope(self.scope): y_true = tf.cast(y_true, tf.float32) y_pred = tf.cast(y_pred, tf.float32) * scale_factor if self.masking: nelem = _nelem(y_true) y_true = _nan2zero(y_true) # Clip theta theta = tf.minimum(self.theta, 1e6) t1 = tf.lgamma(theta+eps) + tf.lgamma(y_true+1.0) - tf.lgamma(y_true+theta+eps) t2 = (theta+y_true) * tf.log(1.0 + (y_pred/(theta+eps))) + (y_true * (tf.log(theta+eps) - tf.log(y_pred+eps))) if self.debug: assert_ops = [ tf.verify_tensor_all_finite(y_pred, 'y_pred has inf/nans'), tf.verify_tensor_all_finite(t1, 't1 has inf/nans'), tf.verify_tensor_all_finite(t2, 't2 has inf/nans')] tf.summary.histogram('t1', t1) tf.summary.histogram('t2', t2) with tf.control_dependencies(assert_ops): final = t1 + t2 else: final = t1 + t2 final = _nan2inf(final) if mean: if self.masking: final = tf.divide(tf.reduce_sum(final), nelem) else: final = tf.reduce_mean(final) return final class ZINB(NB): def __init__(self, pi, ridge_lambda=0.0, scope='zinb_loss/', **kwargs): super().__init__(scope=scope, **kwargs) self.pi = pi self.ridge_lambda = ridge_lambda def loss(self, y_true, y_pred, mean=True): scale_factor = self.scale_factor eps = self.eps with tf.name_scope(self.scope): # reuse existing NB neg.log.lik. # mean is always False here, because everything is calculated # element-wise. we take the mean only in the end nb_case = super().loss(y_true, y_pred, mean=False) - tf.log(1.0-self.pi+eps) y_true = tf.cast(y_true, tf.float32) y_pred = tf.cast(y_pred, tf.float32) * scale_factor theta = tf.minimum(self.theta, 1e6) zero_nb = tf.pow(theta/(theta+y_pred+eps), theta) zero_case = -tf.log(self.pi + ((1.0-self.pi)*zero_nb)+eps) result = tf.where(tf.less(y_true, 1e-8), zero_case, nb_case) ridge = self.ridge_lambda*tf.square(self.pi) result += ridge if mean: if self.masking: result = _reduce_mean(result) else: result = tf.reduce_mean(result) result = _nan2inf(result) if self.debug: tf.summary.histogram('nb_case', nb_case) tf.summary.histogram('zero_nb', zero_nb) tf.summary.histogram('zero_case', zero_case) tf.summary.histogram('ridge', ridge) return result
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ZINBAE
ZINBAE-master/layers.py
from keras.engine.topology import Layer from keras.layers import Lambda from keras import backend as K import tensorflow as tf class ConstantDispersionLayer(Layer): ''' An identity layer which allows us to inject extra parameters such as dispersion to Keras models ''' def __init__(self, **kwargs): super().__init__(**kwargs) def build(self, input_shape): self.theta = self.add_weight(shape=(1, input_shape[1]), initializer='zeros', trainable=True, name='theta') self.theta_exp = tf.clip_by_value(K.exp(self.theta), 1e-3, 1e4) super().build(input_shape) def call(self, x): return tf.identity(x) def compute_output_shape(self, input_shape): return input_shape class SliceLayer(Layer): def __init__(self, index, **kwargs): self.index = index super().__init__(**kwargs) def build(self, input_shape): if not isinstance(input_shape, list): raise ValueError('Input should be a list') super().build(input_shape) def call(self, x): assert isinstance(x, list), 'SliceLayer input is not a list' return x[self.index] def compute_output_shape(self, input_shape): return input_shape[self.index] nan2zeroLayer = Lambda(lambda x: tf.where(tf.is_nan(x), tf.zeros_like(x), x)) ColWiseMultLayer = lambda name: Lambda(lambda l: l[0]*(tf.matmul(tf.reshape(l[1], (-1,1)), tf.ones((1, l[0].get_shape()[1]), dtype=l[1].dtype))), name=name)
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ZINBAE
ZINBAE-master/ZINBAE0.py
""" Implementation of scDeepCluster for scRNA-seq data """ from time import time import numpy as np from keras.models import Model import keras.backend as K from keras.engine.topology import Layer, InputSpec from keras.layers import Dense, Input, GaussianNoise, Layer, Activation, Lambda, Multiply, BatchNormalization, Reshape, Concatenate, RepeatVector, Permute from keras.models import Model from keras.optimizers import SGD, Adam, RMSprop from keras.utils.vis_utils import plot_model from keras.callbacks import EarlyStopping from sklearn.cluster import KMeans from sklearn import metrics import h5py import scanpy.api as sc from layers import ConstantDispersionLayer, SliceLayer, ColWiseMultLayer from loss import poisson_loss, NB, ZINB, mse_loss_v2 from preprocess import read_dataset, normalize import tensorflow as tf from numpy.random import seed seed(2211) from tensorflow import set_random_seed set_random_seed(2211) MeanAct = lambda x: tf.clip_by_value(K.exp(x), 1e-5, 1e6) DispAct = lambda x: tf.clip_by_value(tf.nn.softplus(x), 1e-4, 1e4) def mean_MSE(x_impute, x_real): return np.mean(np.square(np.log(x_impute+1)-np.log(x_real+1))) def imputate_error(x_impute, x_real, x_raw): x_impute_log = np.log(x_impute[(x_raw-x_real)<0]+1) x_real_log = np.log(x_real[(x_raw-x_real)<0]+1) return np.sum(np.abs(x_impute_log-x_real_log))/np.sum(x_real_log>0) def autoencoder(dims, noise_sd=0, init='glorot_uniform', act='relu'): """ Fully connected auto-encoder model, symmetric. Arguments: dims: list of number of units in each layer of encoder. dims[0] is input dim, dims[-1] is units in hidden layer. The decoder is symmetric with encoder. So number of layers of the auto-encoder is 2*len(dims)-1 act: activation, not applied to Input, Hidden and Output layers return: Model of autoencoder """ n_stacks = len(dims) - 1 # input sf_layer = Input(shape=(1,), name='size_factors') x = Input(shape=(dims[0],), name='counts') h = x h = GaussianNoise(noise_sd, name='input_noise')(h) # internal layers in encoder for i in range(n_stacks-1): h = Dense(dims[i + 1], kernel_initializer=init, name='encoder_%d' % i)(h) h = BatchNormalization(center=True, scale=False, name='encoder_batchnorm_%d' % i)(h) h = Activation(act, name='encoder_act_%d' % i)(h) # hidden layer h = Dense(dims[-1], kernel_initializer=init, name='encoder_hidden')(h) # hidden layer, features are extracted from here h = BatchNormalization(center=True, scale=False, name='encoder_hidden_batchnorm_%d' % i)(h) h = Activation(act, name='encoder_hidden_act')(h) # internal layers in decoder for i in range(n_stacks-1, 0, -1): h = Dense(dims[i], kernel_initializer=init, name='decoder_%d' % i)(h) h = BatchNormalization(center=True, scale=False, name='decoder_batchnorm_%d' % i)(h) h = Activation(act, name='decoder_act_%d' % i)(h) # output pi = Dense(dims[0], activation='sigmoid', kernel_initializer=init, name='pi')(h) disp = Dense(dims[0], activation=DispAct, kernel_initializer=init, name='dispersion')(h) mean = Dense(dims[0], activation=MeanAct, kernel_initializer=init, name='mean')(h) output = ColWiseMultLayer(name='output')([mean, sf_layer]) output = SliceLayer(0, name='slice')([output, disp, pi]) return Model(inputs=[x, sf_layer], outputs=output) class ZINB_AE0(object): def __init__(self, dims, noise_sd=0, ridge=0, debug=False, eps = 1e-20): self.dims = dims self.input_dim = dims[0] self.n_stacks = len(self.dims) - 1 self.noise_sd = noise_sd self.act = 'relu' self.ridge = ridge self.debug = debug self.eps = eps self.autoencoder = autoencoder(self.dims, noise_sd=self.noise_sd, act = self.act) self.pi = pi = self.autoencoder.get_layer(name='pi').output self.disp = disp = self.autoencoder.get_layer(name='dispersion').output zinb = ZINB(pi, theta=disp, ridge_lambda=self.ridge, debug=self.debug) self.zinb_loss = zinb.loss self.model = Model(inputs=[self.autoencoder.input[0], self.autoencoder.input[1]], outputs=self.autoencoder.output) def pretrain(self, x, x_count, batch_size=256, epochs=200, optimizer='adam', ae_file='ae_weights.h5'): print('...Pretraining autoencoder...') self.autoencoder.compile(loss=self.zinb_loss, optimizer=optimizer) es = EarlyStopping(monitor="loss", patience=50, verbose=1) self.autoencoder.fit(x=x, y=x_count, batch_size=batch_size, epochs=epochs, callbacks=[es], shuffle=True) self.autoencoder.save_weights(ae_file) print('Pretrained weights are saved to ./' + str(ae_file)) self.pretrained = True def fit(self, x, x_count, batch_size=256, maxiter=2e3, ae_weights=None, loss_weights=0.1, optimizer='adam', model_file='model_weight.h5'): class custom_loss(object): def __init__(self, pi=None, zinb_loss=None): self.pi = pi self.zinb_loss = zinb_loss def custom_loss(self, y_true, y_pred): loss1 = mse_loss_v2(y_true, (1-self.pi)*y_pred) loss2 = self.zinb_loss(y_true, y_pred) return loss1*loss_weights + loss2 loss = custom_loss(self.pi, self.zinb_loss) self.model.compile(loss=loss.custom_loss, optimizer=optimizer) if not self.pretrained and ae_weights is None: print('...pretraining autoencoders using default hyper-parameters:') print(' optimizer=\'adam\'; epochs=200') self.pretrain(x, x_count, batch_size) self.pretrained = True elif ae_weights is not None: self.autoencoder.load_weights(ae_weights) print('ae_weights is loaded successfully.') self.model.fit(x=[x[0], x[1]], y=x_count, batch_size=batch_size, epochs=maxiter, shuffle=True) self.model.save_weights(model_file) if __name__ == "__main__": # setting the hyper parameters import argparse parser = argparse.ArgumentParser(description='train', formatter_class=argparse.ArgumentDefaultsHelpFormatter) parser.add_argument('--batch_size', default=256, type=int) parser.add_argument('--data_file', default='data.h5') parser.add_argument('--pretrain_epochs', default=300, type=int) parser.add_argument('--max_iters', default=500, type=int) parser.add_argument('--gamma', default=.01, type=float) parser.add_argument('--ae_weights', default=None) parser.add_argument('--ae_weight_file', default='ae_weights.h5') parser.add_argument('--model_weight_file', default='model_weights.h5') args = parser.parse_args() # load dataset optimizer = Adam(amsgrad=True) data_mat = h5py.File(args.data_file) x = np.array(data_mat['X']) y = np.array(data_mat['Y']) true_count = np.array(data_mat['true_count']) data_mat.close() x = np.floor(x) # preprocessing scRNA-seq read counts matrix adata = sc.AnnData(x) adata.obs['Group'] = y adata = read_dataset(adata, transpose=False, test_split=False, copy=True) adata = normalize(adata, size_factors=True, normalize_input=True, logtrans_input=True) input_size = adata.n_vars print(adata.X.shape) print(y.shape) x_sd = adata.X.std(0) x_sd_median = np.median(x_sd) print("median of gene sd: %.5f" % x_sd_median) print(args) zinbae0_model = ZINB_AE(dims=[input_size, 64, 32], noise_sd=2.5) zinbae0_model.autoencoder.summary() zinbae0_model.model.summary() # Pretrain autoencoders before clustering if args.ae_weights is None: zinbae0_model.pretrain(x=[adata.X, adata.obs.size_factors], x_count=adata.raw.X, batch_size=args.batch_size, epochs=args.pretrain_epochs, optimizer=optimizer, ae_file=args.ae_weight_file) zinbae0_model.fit(x=[adata.X, adata.obs.size_factors], x_count=adata.raw.X, batch_size=args.batch_size, ae_weights=args.ae_weights, maxiter=args.max_iters, loss_weights=args.gamma, optimizer=optimizer, model_file=args.model_weight_file) # Impute error x_impute = zinbae0_model.autoencoder.predict(x=[adata.X, adata.obs.size_factors]) raw_error = imputate_error(adata.raw.X, true_count, x_raw=adata.raw.X) imputation_error = imputate_error(x_impute, true_count, x_raw=adata.raw.X) print("Before imputation error: %.4f, after imputation error: %.4f" % (raw_error, imputation_error))
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pyterpol
pyterpol-master/docs/conf.py
import os # -*- coding: utf-8 -*- # # Pyterpol documentation build configuration file, created by # sphinx-quickstart on Fri Aug 26 12:34:08 2016. # # This file is execfile()d with the current directory set to its # containing dir. # # Note that not all possible configuration values are present in this # autogenerated file. # # All configuration values have a default; values that are commented out # serve to show the default. # If extensions (or modules to document with autodoc) are in another directory, # add these directories to sys.path here. If the directory is relative to the # documentation root, use os.path.abspath to make it absolute, like shown here. # # import os # import sys # sys.path.insert(0, os.path.abspath('.')) # -- General configuration ------------------------------------------------ # If your documentation needs a minimal Sphinx version, state it here. # # needs_sphinx = '1.0' # Add any Sphinx extension module names here, as strings. They can be # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom # ones. extensions = [ 'sphinx.ext.autodoc', 'sphinx.ext.doctest', 'sphinx.ext.intersphinx', 'sphinx.ext.todo', 'sphinx.ext.mathjax', 'sphinx.ext.viewcode', 'sphinx.ext.githubpages', ] # Add any paths that contain templates here, relative to this directory. templates_path = ['_templates'] # The suffix(es) of source filenames. # You can specify multiple suffix as a list of string: # # source_suffix = ['.rst', '.md'] source_suffix = '.rst' # The encoding of source files. # # source_encoding = 'utf-8-sig' # The master toctree document. master_doc = 'index' # General information about the project. project = u'Pyterpol' copyright = u'2016, Nemravova Jana' author = u'Nemravova Jana' # The version info for the project you're documenting, acts as replacement for # |version| and |release|, also used in various other places throughout the # built documents. # # The short X.Y version. version = u'0.0.1' # The full version, including alpha/beta/rc tags. release = u'0.0.1' # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. # # This is also used if you do content translation via gettext catalogs. # Usually you set "language" from the command line for these cases. language = None # There are two options for replacing |today|: either, you set today to some # non-false value, then it is used: # # today = '' # # Else, today_fmt is used as the format for a strftime call. # # today_fmt = '%B %d, %Y' # List of patterns, relative to source directory, that match files and # directories to ignore when looking for source files. # This patterns also effect to html_static_path and html_extra_path exclude_patterns = ['_build', 'Thumbs.db', '.DS_Store'] # The reST default role (used for this markup: `text`) to use for all # documents. # # default_role = None # If true, '()' will be appended to :func: etc. cross-reference text. # # add_function_parentheses = True # If true, the current module name will be prepended to all description # unit titles (such as .. function::). # # add_module_names = True # If true, sectionauthor and moduleauthor directives will be shown in the # output. They are ignored by default. # # show_authors = False # The name of the Pygments (syntax highlighting) style to use. pygments_style = 'sphinx' # A list of ignored prefixes for module index sorting. # modindex_common_prefix = [] # If true, keep warnings as "system message" paragraphs in the built documents. # keep_warnings = False # If true, `todo` and `todoList` produce output, else they produce nothing. todo_include_todos = True # -- Options for HTML output ---------------------------------------------- # The theme to use for HTML and HTML Help pages. See the documentation for # a list of builtin themes. # html_theme = 'alabaster' # Theme options are theme-specific and customize the look and feel of a theme # further. For a list of options available for each theme, see the # documentation. # # html_theme_options = {} # Add any paths that contain custom themes here, relative to this directory. # html_theme_path = [] # The name for this set of Sphinx documents. # "<project> v<release> documentation" by default. # # html_title = u'Pyterpol v0.0.1' # A shorter title for the navigation bar. Default is the same as html_title. # # html_short_title = None # The name of an image file (relative to this directory) to place at the top # of the sidebar. # # html_logo = None # The name of an image file (relative to this directory) to use as a favicon of # the docs. This file should be a Windows icon file (.ico) being 16x16 or 32x32 # pixels large. # # html_favicon = None # Add any paths that contain custom static files (such as style sheets) here, # relative to this directory. They are copied after the builtin static files, # so a file named "default.css" will overwrite the builtin "default.css". html_static_path = ['_static'] # Add any extra paths that contain custom files (such as robots.txt or # .htaccess) here, relative to this directory. These files are copied # directly to the root of the documentation. # # html_extra_path = [] # If not None, a 'Last updated on:' timestamp is inserted at every page # bottom, using the given strftime format. # The empty string is equivalent to '%b %d, %Y'. # # html_last_updated_fmt = None # If true, SmartyPants will be used to convert quotes and dashes to # typographically correct entities. # # html_use_smartypants = True # Custom sidebar templates, maps document names to template names. # # html_sidebars = {} # Additional templates that should be rendered to pages, maps page names to # template names. # # html_additional_pages = {} # If false, no module index is generated. # # html_domain_indices = True # If false, no index is generated. # # html_use_index = True # If true, the index is split into individual pages for each letter. # # html_split_index = False # If true, links to the reST sources are added to the pages. # # html_show_sourcelink = True # If true, "Created using Sphinx" is shown in the HTML footer. Default is True. # # html_show_sphinx = True # If true, "(C) Copyright ..." is shown in the HTML footer. Default is True. # # html_show_copyright = True # If true, an OpenSearch description file will be output, and all pages will # contain a <link> tag referring to it. The value of this option must be the # base URL from which the finished HTML is served. # # html_use_opensearch = '' # This is the file name suffix for HTML files (e.g. ".xhtml"). # html_file_suffix = None # Language to be used for generating the HTML full-text search index. # Sphinx supports the following languages: # 'da', 'de', 'en', 'es', 'fi', 'fr', 'hu', 'it', 'ja' # 'nl', 'no', 'pt', 'ro', 'ru', 'sv', 'tr', 'zh' # # html_search_language = 'en' # A dictionary with options for the search language support, empty by default. # 'ja' uses this config value. # 'zh' user can custom change `jieba` dictionary path. # # html_search_options = {'type': 'default'} # The name of a javascript file (relative to the configuration directory) that # implements a search results scorer. If empty, the default will be used. # # html_search_scorer = 'scorer.js' # Output file base name for HTML help builder. htmlhelp_basename = 'Pyterpoldoc' # -- Options for LaTeX output --------------------------------------------- latex_elements = { # The paper size ('letterpaper' or 'a4paper'). # # 'papersize': 'letterpaper', # The font size ('10pt', '11pt' or '12pt'). # # 'pointsize': '10pt', # Additional stuff for the LaTeX preamble. # # 'preamble': '', # Latex figure (float) alignment # # 'figure_align': 'htbp', } # Grouping the document tree into LaTeX files. List of tuples # (source start file, target name, title, # author, documentclass [howto, manual, or own class]). latex_documents = [ (master_doc, 'Pyterpol.tex', u'Pyterpol Documentation', u'Nemravova Jana', 'manual'), ] # The name of an image file (relative to this directory) to place at the top of # the title page. # # latex_logo = None # For "manual" documents, if this is true, then toplevel headings are parts, # not chapters. # # latex_use_parts = False # If true, show page references after internal links. # # latex_show_pagerefs = False # If true, show URL addresses after external links. # # latex_show_urls = False # Documents to append as an appendix to all manuals. # # latex_appendices = [] # It false, will not define \strong, \code, itleref, \crossref ... but only # \sphinxstrong, ..., \sphinxtitleref, ... To help avoid clash with user added # packages. # # latex_keep_old_macro_names = True # If false, no module index is generated. # # latex_domain_indices = True # -- Options for manual page output --------------------------------------- # One entry per manual page. List of tuples # (source start file, name, description, authors, manual section). man_pages = [ (master_doc, 'pyterpol', u'Pyterpol Documentation', [author], 1) ] # If true, show URL addresses after external links. # # man_show_urls = False # -- Options for Texinfo output ------------------------------------------- # Grouping the document tree into Texinfo files. List of tuples # (source start file, target name, title, author, # dir menu entry, description, category) texinfo_documents = [ (master_doc, 'Pyterpol', u'Pyterpol Documentation', author, 'Pyterpol', 'One line description of project.', 'Miscellaneous'), ] # Documents to append as an appendix to all manuals. # # texinfo_appendices = [] # If false, no module index is generated. # # texinfo_domain_indices = True # How to display URL addresses: 'footnote', 'no', or 'inline'. # # texinfo_show_urls = 'footnote' # If true, do not generate a @detailmenu in the "Top" node's menu. # # texinfo_no_detailmenu = False # Example configuration for intersphinx: refer to the Python standard library. intersphinx_mapping = {'https://docs.python.org/': None} # add absolute path os.path.abspath('../')
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mapalignment
mapalignment-master/projects/mapalign/mapalign_multires/loss_utils.py
from __future__ import absolute_import from __future__ import division from __future__ import print_function import sys import numpy as np import tensorflow as tf sys.path.append("../../utils") import tf_utils def displacement_error(gt, preds, level_loss_coefs, polygon_map, disp_loss_params): """ :param gt: Groundtruth displacement map bounded between -1 and 1. Shape [batch, height, width, channels (3)] :param preds: Predicted displacement maps bounded between -1 and 1. Shape [batch, levels, height, width, channels (2)] :param level_loss_coefs: Loss coefficients to apply to each level :param polygon_map: Used as mask for fill, outline and vertex. Shape [batch, height, width, channels (3)] :return: error """ height, width, _ = gt.get_shape().as_list()[1:] with tf.name_scope("euclidean_error"): # Compute weight mask cropped_polygon_map = tf.image.resize_image_with_crop_or_pad(polygon_map, height, width) # TODO: normalize correction_weights correction_weights = 1 / ( tf.reduce_sum(tf.reduce_sum(cropped_polygon_map, axis=1), axis=1) + tf.keras.backend.epsilon()) weigths = tf.constant( [disp_loss_params["fill_coef"], disp_loss_params["edge_coef"], disp_loss_params["vertex_coef"]], dtype=tf.float32) corrected_weights = weigths * correction_weights corrected_weights = tf.expand_dims(tf.expand_dims(corrected_weights, axis=1), axis=1) weighted_mask = tf.reduce_sum(cropped_polygon_map * corrected_weights, axis=-1) weighted_mask = tf.expand_dims(weighted_mask, axis=1) # Add levels dimension # Compute errors gt = tf.expand_dims(gt, axis=1) # Add levels dimension pixelwise_euclidean_error = tf.reduce_sum(tf.square(gt - preds), axis=-1) masked_pixelwise_euclidean_error = pixelwise_euclidean_error * weighted_mask # Sum errors summed_error = tf.reduce_sum(masked_pixelwise_euclidean_error, axis=0) # Batch sum summed_error = tf.reduce_sum(summed_error, axis=-1) # Col/Width sum summed_error = tf.reduce_sum(summed_error, axis=-1) # Row/Height sum summed_error = summed_error * level_loss_coefs # Apply Level loss coefficients summed_error = tf.reduce_sum(summed_error) # Sum weights summed_weighted_mask = tf.reduce_sum(weighted_mask) loss = summed_error / (summed_weighted_mask + tf.keras.backend.epsilon()) return loss def segmentation_error(seg_gt, seg_pred_logits, level_loss_coefs, seg_loss_params): """ :param seg_gt: :param seg_pred_logits: :param level_loss_coefs: :return: """ # print("--- segmentation_error ---") _, levels, height, width, _ = seg_pred_logits.get_shape().as_list() # Crop seg_gt to match resolution of seg_pred_logits seg_gt = tf.image.resize_image_with_crop_or_pad(seg_gt, height, width) # Add background class to gt segmentation if tf_utils.get_tf_version() == "1.4.0": seg_gt_bg = tf.reduce_prod(1 - seg_gt, axis=-1, keep_dims=True) # Equals 0 if pixel is either fill, outline or vertex. Equals 1 otherwise else: seg_gt_bg = tf.reduce_prod(1 - seg_gt, axis=-1, keepdims=True) # Equals 0 if pixel is either fill, outline or vertex. Equals 1 otherwise seg_gt = tf.concat([seg_gt_bg, seg_gt], axis=-1) # Compute weight mask # class_sums = tf.reduce_sum(tf.reduce_sum(seg_gt, axis=1), axis=1) # seg_class_balance_weights = 1 / ( # class_sums + tf.keras.backend.epsilon()) seg_class_weights = tf.constant([[seg_loss_params["background_coef"], seg_loss_params["fill_coef"], seg_loss_params["edge_coef"], seg_loss_params["vertex_coef"]]], dtype=tf.float32) # balanced_class_weights = seg_class_balance_weights * seg_class_weights balanced_class_weights = seg_class_weights balanced_class_weights = tf.expand_dims(balanced_class_weights, axis=1) # Add levels dimension balanced_class_weights = tf.tile(balanced_class_weights, multiples=[1, levels, 1]) # Repeat on levels dimension level_loss_coefs = tf.expand_dims(level_loss_coefs, axis=-1) # Add channels dimension final_weights = balanced_class_weights * level_loss_coefs final_weights = tf.expand_dims(tf.expand_dims(final_weights, axis=2), axis=2) # Add spatial dimensions # Adapt seg_gt shape to seg_pred_logits seg_gt = tf.expand_dims(seg_gt, axis=1) # Add levels dimension seg_gt = tf.tile(seg_gt, multiples=[1, levels, 1, 1, 1]) # Add levels dimension loss = tf.nn.sigmoid_cross_entropy_with_logits(labels=seg_gt, logits=seg_pred_logits) # Now apply the various weights weighted_loss = loss * final_weights final_loss = tf.reduce_mean(weighted_loss) return final_loss def laplacian_penalty(preds, level_loss_coefs): in_channels = preds.shape[-1] with tf.name_scope("laplacian_penalty"): laplace_k = tf_utils.make_depthwise_kernel([[0.5, 1.0, 0.5], [1.0, -6., 1.0], [0.5, 1.0, 0.5]], in_channels) # Reshape preds to respect the input format of the depthwise_conv2d op shape = [preds.shape[0] * preds.shape[1]] + preds.get_shape().as_list()[2:] reshaped_preds = tf.reshape(preds, shape) laplacians = tf.nn.depthwise_conv2d(reshaped_preds, laplace_k, [1, 1, 1, 1], padding='SAME') penalty_map = tf.reduce_sum(tf.square(laplacians), axis=-1) # Reshape penalty_map to shape compatible with preds shape = preds.get_shape().as_list()[:-1] reshaped_penalty_map = tf.reshape(penalty_map, shape) # Compute mean penalty per level over spatial dimension as well as over batches level_penalties = tf.reduce_mean(reshaped_penalty_map, axis=0) # Batch mean level_penalties = tf.reduce_mean(level_penalties, axis=-1) # Col/Width mean level_penalties = tf.reduce_mean(level_penalties, axis=-1) # Row/Height mean # Apply level_loss_coefs weighted_penalties = level_penalties * level_loss_coefs penalty = tf.reduce_mean(weighted_penalties) # Levels mean return penalty def main(_): batch_size = 1 levels = 2 patch_inner_res = 3 patch_outer_res = 5 disp_ = tf.placeholder(tf.float32, [batch_size, patch_inner_res, patch_inner_res, 2]) disps = tf.placeholder(tf.float32, [batch_size, levels, patch_inner_res, patch_inner_res, 2]) seg_ = tf.placeholder(tf.float32, [batch_size, patch_inner_res, patch_inner_res, 3]) seg_logits = tf.placeholder(tf.float32, [batch_size, levels, patch_inner_res, patch_inner_res, 3]) level_loss_coefs = tf.placeholder(tf.float32, [levels]) mask = tf.placeholder(tf.float32, [batch_size, patch_outer_res, patch_outer_res, 3]) disp_loss = displacement_error(disp_, disps, level_loss_coefs, mask) seg_loss = segmentation_error(seg_, seg_logits, level_loss_coefs) penalty = laplacian_penalty(disps, level_loss_coefs) init_op = tf.group(tf.global_variables_initializer(), tf.local_variables_initializer()) with tf.Session() as sess: sess.run(init_op) disp_gt = np.zeros([batch_size, patch_inner_res, patch_inner_res, 2]) disp_gt[0, 0, 0, 0] = 1 disp_preds = np.zeros([batch_size, levels, patch_inner_res, patch_inner_res, 2]) disp_preds[0, 0, 0, 0, 0] = 1 disp_preds[0, 1, 0, 0, 0] = 1 seg_gt = np.zeros([batch_size, patch_inner_res, patch_inner_res, 3]) # seg_gt += 0.5 seg_gt[0, 0, 0, 0] = 1.0 seg_gt[0, 0, 1, 1] = 1.0 seg_gt[0, 0, 2, 2] = 1.0 seg_gt[0, 1, 0, 0] = 1.0 seg_gt[0, 1, 1, 1] = 1.0 seg_gt[0, 1, 2, 2] = 1.0 seg_pred_logits = np.zeros([batch_size, levels, patch_inner_res, patch_inner_res, 3]) seg_pred_logits += -100 seg_pred_logits[0, 0, 0, 0, 0] = 100 seg_pred_logits[0, 0, 0, 1, 1] = 100 seg_pred_logits[0, 0, 0, 2, 2] = -100 seg_pred_logits[0, 1, 0, 0, 0] = 100 seg_pred_logits[0, 1, 0, 1, 1] = 100 seg_pred_logits[0, 1, 0, 2, 2] = -100 seg_pred_logits[0, 0, 1, 0, 0] = 100 seg_pred_logits[0, 0, 1, 1, 1] = 100 seg_pred_logits[0, 0, 1, 2, 2] = -100 seg_pred_logits[0, 1, 1, 0, 0] = 100 seg_pred_logits[0, 1, 1, 1, 1] = 100 seg_pred_logits[0, 1, 1, 2, 2] = -100 coefs = np.array([1, 0.5]) poly_mask = np.zeros([batch_size, patch_outer_res, patch_outer_res, 3]) poly_mask[0, 1, 1, 0] = 1 computed_disp_loss, computed_seg_loss, computed_penalty = sess.run( [disp_loss, seg_loss, penalty], feed_dict={disp_: disp_gt, disps: disp_preds, seg_: seg_gt, seg_logits: seg_pred_logits, level_loss_coefs: coefs, mask: poly_mask}) print("computed_disp_loss:") print(computed_disp_loss) print("computed_seg_loss:") print(computed_seg_loss) print("computed_penalty:") print(computed_penalty) if __name__ == '__main__': tf.app.run(main=main)
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overcooked_ai
overcooked_ai-master/src/human_aware_rl/imitation/behavior_cloning_tf2.py
import copy import os import pickle import numpy as np import tensorflow as tf from ray.rllib.policy import Policy as RllibPolicy from tensorflow import keras from tensorflow.compat.v1.keras.backend import get_session, set_session from human_aware_rl.data_dir import DATA_DIR from human_aware_rl.human.process_dataframes import ( get_human_human_trajectories, get_trajs_from_data, ) from human_aware_rl.rllib.rllib import ( RlLibAgent, evaluate, get_base_ae, softmax, ) from human_aware_rl.static import CLEAN_2019_HUMAN_DATA_TRAIN from human_aware_rl.utils import get_flattened_keys, recursive_dict_update from overcooked_ai_py.mdp.actions import Action from overcooked_ai_py.mdp.overcooked_env import DEFAULT_ENV_PARAMS ################# # Configuration # ################# BC_SAVE_DIR = os.path.join(DATA_DIR, "bc_runs") DEFAULT_DATA_PARAMS = { "layouts": ["cramped_room"], "check_trajectories": False, "featurize_states": True, "data_path": CLEAN_2019_HUMAN_DATA_TRAIN, } DEFAULT_MLP_PARAMS = { # Number of fully connected layers to use in our network "num_layers": 2, # Each int represents a layer of that hidden size "net_arch": [64, 64], } DEFAULT_TRAINING_PARAMS = { "epochs": 100, "validation_split": 0.15, "batch_size": 64, "learning_rate": 1e-3, "use_class_weights": False, } DEFAULT_EVALUATION_PARAMS = { "ep_length": 400, "num_games": 1, "display": False, } DEFAULT_BC_PARAMS = { "eager": True, "use_lstm": False, "cell_size": 256, "data_params": DEFAULT_DATA_PARAMS, "mdp_params": {"layout_name": "cramped_room", "old_dynamics": False}, "env_params": DEFAULT_ENV_PARAMS, "mdp_fn_params": {}, "mlp_params": DEFAULT_MLP_PARAMS, "training_params": DEFAULT_TRAINING_PARAMS, "evaluation_params": DEFAULT_EVALUATION_PARAMS, "action_shape": (len(Action.ALL_ACTIONS),), } # Boolean indicating whether all param dependencies have been loaded. Used to prevent re-loading unceccesarily _params_initalized = False def _get_base_ae(bc_params): return get_base_ae(bc_params["mdp_params"], bc_params["env_params"]) def _get_observation_shape(bc_params): """ Helper function for creating a dummy environment from "mdp_params" and "env_params" specified in bc_params and returning the shape of the observation space """ base_ae = _get_base_ae(bc_params) base_env = base_ae.env dummy_state = base_env.mdp.get_standard_start_state() obs_shape = base_env.featurize_state_mdp(dummy_state)[0].shape return obs_shape # For lazily loading the default params. Prevents loading on every import of this module def get_bc_params(**args_to_override): """ Loads default bc params defined globally. For each key in args_to_override, overrides the default with the value specified for that key. Recursively checks all children. If key not found, creates new top level parameter. Note: Even though children can share keys, for simplicity, we enforce the condition that all keys at all levels must be distict """ global _params_initalized, DEFAULT_BC_PARAMS if not _params_initalized: DEFAULT_BC_PARAMS["observation_shape"] = _get_observation_shape( DEFAULT_BC_PARAMS ) _params_initalized = False params = copy.deepcopy(DEFAULT_BC_PARAMS) for arg, val in args_to_override.items(): updated = recursive_dict_update(params, arg, val) if not updated: print( "WARNING, no value for specified bc argument {} found in schema. Adding as top level parameter".format( arg ) ) all_keys = get_flattened_keys(params) if len(all_keys) != len(set(all_keys)): raise ValueError( "Every key at every level must be distict for BC params!" ) return params ############## # Model code # ############## class LstmStateResetCallback(keras.callbacks.Callback): def on_epoch_end(self, epoch, logs=None): self.model.reset_states() def _pad(sequences, maxlen=None, default=0): if not maxlen: maxlen = max([len(seq) for seq in sequences]) for seq in sequences: pad_len = maxlen - len(seq) seq.extend([default] * pad_len) return sequences def load_data(bc_params, verbose=False): processed_trajs = get_human_human_trajectories( **bc_params["data_params"], silent=not verbose ) inputs, targets = ( processed_trajs["ep_states"], processed_trajs["ep_actions"], ) if bc_params["use_lstm"]: seq_lens = np.array([len(seq) for seq in inputs]) seq_padded = _pad( inputs, default=np.zeros( ( len( inputs[0][0], ) ) ), ) targets_padded = _pad(targets, default=np.zeros(1)) seq_t = np.dstack(seq_padded).transpose((2, 0, 1)) targets_t = np.dstack(targets_padded).transpose((2, 0, 1)) return seq_t, seq_lens, targets_t else: return np.vstack(inputs), None, np.vstack(targets) def build_bc_model(use_lstm=True, eager=False, **kwargs): if not eager: tf.compat.v1.disable_eager_execution() if use_lstm: return _build_lstm_model(**kwargs) else: return _build_model(**kwargs) def train_bc_model(model_dir, bc_params, verbose=False): inputs, seq_lens, targets = load_data(bc_params, verbose) training_params = bc_params["training_params"] if training_params["use_class_weights"]: # Get class counts, and use these to compute balanced class weights classes, counts = np.unique(targets.flatten(), return_counts=True) weights = sum(counts) / counts class_weights = dict(zip(classes, weights)) else: # Default is uniform class weights class_weights = None # Retrieve un-initialized keras model model = build_bc_model( **bc_params, max_seq_len=np.max(seq_lens), verbose=verbose ) # Initialize the model # Note: have to use lists for multi-output model support and not dicts because of tensorlfow 2.0.0 bug if bc_params["use_lstm"]: loss = [ keras.losses.SparseCategoricalCrossentropy(from_logits=True), None, None, ] metrics = [["sparse_categorical_accuracy"], [], []] else: loss = keras.losses.SparseCategoricalCrossentropy(from_logits=True) metrics = ["sparse_categorical_accuracy"] model.compile( optimizer=keras.optimizers.Adam(training_params["learning_rate"]), loss=loss, metrics=metrics, ) # Customize our training loop with callbacks callbacks = [ # Early terminate training if loss doesn't improve for "patience" epochs keras.callbacks.EarlyStopping(monitor="loss", patience=20), # Reduce lr by "factor" after "patience" epochs of no improvement in loss keras.callbacks.ReduceLROnPlateau( monitor="loss", patience=3, factor=0.1 ), # Log all metrics model was compiled with to tensorboard every epoch keras.callbacks.TensorBoard( log_dir=os.path.join(model_dir, "logs"), write_graph=False ), # Save checkpoints of the models at the end of every epoch (saving only the best one so far) keras.callbacks.ModelCheckpoint( filepath=os.path.join(model_dir, "checkpoints"), monitor="loss", save_best_only=True, ), ] ## Actually train our model # Create input dict for both models N = inputs.shape[0] inputs = {"Overcooked_observation": inputs} targets = {"logits": targets} # Inputs unique to lstm model if bc_params["use_lstm"]: inputs["seq_in"] = seq_lens inputs["hidden_in"] = np.zeros((N, bc_params["cell_size"])) inputs["memory_in"] = np.zeros((N, bc_params["cell_size"])) # Batch size doesn't include time dimension (seq_len) so it should be smaller for rnn model batch_size = 1 if bc_params["use_lstm"] else training_params["batch_size"] model.fit( inputs, targets, callbacks=callbacks, batch_size=batch_size, epochs=training_params["epochs"], validation_split=training_params["validation_split"], class_weight=class_weights, verbose=2 if verbose else 0, ) # Save the model save_bc_model(model_dir, model, bc_params, verbose=verbose) return model def save_bc_model(model_dir, model, bc_params, verbose=False): """ Saves the specified model under the directory model_dir. This creates three items assets/ stores information essential to reconstructing the context and tf graph variables/ stores the model's trainable weights saved_model.pd the saved state of the model object Additionally, saves a pickled dictionary containing all the parameters used to construct this model at model_dir/metadata.pickle """ if verbose: print("Saving bc model at ", model_dir) model.save(model_dir, save_format="tf") with open(os.path.join(model_dir, "metadata.pickle"), "wb") as f: pickle.dump(bc_params, f) def load_bc_model(model_dir, verbose=False): """ Returns the model instance (including all compilation data like optimizer state) and a dictionary of parameters used to create the model """ if verbose: print("Loading bc model from ", model_dir) model = keras.models.load_model(model_dir, custom_objects={"tf": tf}) with open(os.path.join(model_dir, "metadata.pickle"), "rb") as f: bc_params = pickle.load(f) return model, bc_params def evaluate_bc_model(model, bc_params, verbose=False): """ Creates an AgentPair object containing two instances of BC Agents, whose policies are specified by `model`. Runs a rollout using AgentEvaluator class in an environment specified by bc_params Arguments - model (tf.keras.Model) A function that maps featurized overcooked states to action logits - bc_params (dict) Specifies the environemnt in which to evaluate the agent (i.e. layout, reward_shaping_param) as well as the configuration for the rollout (rollout_length) Returns - reward (int) Total sparse reward achieved by AgentPair during rollout """ evaluation_params = bc_params["evaluation_params"] mdp_params = bc_params["mdp_params"] # Get reference to state encoding function used by bc agents, with compatible signature base_ae = _get_base_ae(bc_params) base_env = base_ae.env def featurize_fn(state): return base_env.featurize_state_mdp(state) # Wrap Keras models in rllib policies agent_0_policy = BehaviorCloningPolicy.from_model( model, bc_params, stochastic=True ) agent_1_policy = BehaviorCloningPolicy.from_model( model, bc_params, stochastic=True ) # Compute the results of the rollout(s) results = evaluate( eval_params=evaluation_params, mdp_params=mdp_params, outer_shape=None, agent_0_policy=agent_0_policy, agent_1_policy=agent_1_policy, agent_0_featurize_fn=featurize_fn, agent_1_featurize_fn=featurize_fn, verbose=verbose, ) # Compute the average sparse return obtained in each rollout reward = np.mean(results["ep_returns"]) return reward def _build_model(observation_shape, action_shape, mlp_params, **kwargs): ## Inputs inputs = keras.Input( shape=observation_shape, name="Overcooked_observation" ) x = inputs ## Build fully connected layers assert ( len(mlp_params["net_arch"]) == mlp_params["num_layers"] ), "Invalid Fully Connected params" for i in range(mlp_params["num_layers"]): units = mlp_params["net_arch"][i] x = keras.layers.Dense( units, activation="relu", name="fc_{0}".format(i) )(x) ## output layer logits = keras.layers.Dense(action_shape[0], name="logits")(x) return keras.Model(inputs=inputs, outputs=logits) def _build_lstm_model( observation_shape, action_shape, mlp_params, cell_size, max_seq_len=20, **kwargs ): ## Inputs obs_in = keras.Input( shape=(None, *observation_shape), name="Overcooked_observation" ) seq_in = keras.Input(shape=(), name="seq_in", dtype=tf.int32) h_in = keras.Input(shape=(cell_size,), name="hidden_in") c_in = keras.Input(shape=(cell_size,), name="memory_in") x = obs_in ## Build fully connected layers assert ( len(mlp_params["net_arch"]) == mlp_params["num_layers"] ), "Invalid Fully Connected params" for i in range(mlp_params["num_layers"]): units = mlp_params["net_arch"][i] x = keras.layers.TimeDistributed( keras.layers.Dense( units, activation="relu", name="fc_{0}".format(i) ) )(x) mask = keras.layers.Lambda( lambda x: tf.sequence_mask(x, maxlen=max_seq_len) )(seq_in) ## LSTM layer lstm_out, h_out, c_out = keras.layers.LSTM( cell_size, return_sequences=True, return_state=True, stateful=False, name="lstm", )(inputs=x, mask=mask, initial_state=[h_in, c_in]) ## output layer logits = keras.layers.TimeDistributed( keras.layers.Dense(action_shape[0]), name="logits" )(lstm_out) return keras.Model( inputs=[obs_in, seq_in, h_in, c_in], outputs=[logits, h_out, c_out] ) ################ # Rllib Policy # ################ class NullContextManager: """ No-op context manager that does nothing """ def __init__(self): pass def __enter__(self): pass def __exit__(self, *args): pass class TfContextManager: """ Properly sets the execution graph and session of the keras backend given a "session" object as input Used for isolating tf execution in graph mode. Do not use with eager models or with eager mode on """ def __init__(self, session): self.session = session def __enter__(self): self.ctx = self.session.graph.as_default() self.ctx.__enter__() set_session(self.session) def __exit__(self, *args): self.ctx.__exit__(*args) class BehaviorCloningPolicy(RllibPolicy): def __init__(self, observation_space, action_space, config): """ RLLib compatible constructor for initializing a behavior cloning model observation_space (gym.Space|tuple) Shape of the featurized observations action_space (gym.space|tuple) Shape of the action space (len(Action.All_ACTIONS),) config (dict) Dictionary of relavant bc params - model_dir (str) Path to pickled keras.Model used to map observations to action logits - stochastic (bool) Whether action should return logit argmax or sample over distribution - bc_model (keras.Model) Pointer to loaded policy model. Overrides model_dir - bc_params (dict) Dictionary of parameters used to train model. Required if "model" is present - eager (bool) Whether the model should run in eager (or graph) mode. Overrides bc_params['eager'] if present """ super(BehaviorCloningPolicy, self).__init__( observation_space, action_space, config ) if "bc_model" in config and config["bc_model"]: assert ( "bc_params" in config ), "must specify params in addition to model" assert issubclass( type(config["bc_model"]), keras.Model ), "model must be of type keras.Model" model, bc_params = config["bc_model"], config["bc_params"] else: assert ( "model_dir" in config ), "must specify model directory if model not specified" model, bc_params = load_bc_model(config["model_dir"]) # Save the session that the model was loaded into so it is available at inference time if necessary self._sess = get_session() self._setup_shapes() # Basic check to make sure model dimensions match assert self.observation_shape == bc_params["observation_shape"] assert self.action_shape == bc_params["action_shape"] self.model = model self.stochastic = config["stochastic"] self.use_lstm = bc_params["use_lstm"] self.cell_size = bc_params["cell_size"] self.eager = ( config["eager"] if "eager" in config else bc_params["eager"] ) self.context = self._create_execution_context() def _setup_shapes(self): # This is here to make the class compatible with both tuples or gym.Space objs for the spaces # Note: action_space = (len(Action.ALL_ACTIONS,)) is technically NOT the action space shape, which would be () since actions are scalars self.observation_shape = ( self.observation_space if type(self.observation_space) == tuple else self.observation_space.shape ) self.action_shape = ( self.action_space if type(self.action_space) == tuple else (self.action_space.n,) ) @classmethod def from_model_dir(cls, model_dir, stochastic=True): model, bc_params = load_bc_model(model_dir) config = { "bc_model": model, "bc_params": bc_params, "stochastic": stochastic, } return cls( bc_params["observation_shape"], bc_params["action_shape"], config ) @classmethod def from_model(cls, model, bc_params, stochastic=True): config = { "bc_model": model, "bc_params": bc_params, "stochastic": stochastic, } return cls( bc_params["observation_shape"], bc_params["action_shape"], config ) def compute_actions( self, obs_batch, state_batches=None, prev_action_batch=None, prev_reward_batch=None, info_batch=None, episodes=None, **kwargs ): """ Computes sampled actions for each of the corresponding OvercookedEnv states in obs_batch Args: obs_batch (np.array): batch of pre-process (lossless state encoded) observations Returns: actions (list|np.array): batch of output actions shape [BATCH_SIZE, ACTION_SHAPE] state_outs (list): only necessary for rnn hidden states infos (dict): dictionary of extra feature batches { "action_dist_inputs" : [BATCH_SIZE, ...] } """ # Cast to np.array if list (no-op if already np.array) obs_batch = np.array(obs_batch) # Run the model with self.context: action_logits, states = self._forward(obs_batch, state_batches) # Softmax in numpy to convert logits to probabilities action_probs = softmax(action_logits) if self.stochastic: # Sample according to action_probs for each row in the output actions = np.array( [ np.random.choice(self.action_shape[0], p=action_probs[i]) for i in range(len(action_probs)) ] ) else: actions = np.argmax(action_logits, axis=1) return actions, states, {"action_dist_inputs": action_logits} def get_initial_state(self): """ Returns the initial hidden and memory states for the model if it is recursive Note, this shadows the rllib.Model.get_initial_state function, but had to be added here as keras does not allow mixins in custom model classes Also note, either this function or self.model.get_initial_state (if it exists) must be called at start of an episode """ if self.use_lstm: return [ np.zeros( self.cell_size, ), np.zeros( self.cell_size, ), ] return [] def get_weights(self): """ No-op to keep rllib from breaking, won't be necessary in future rllib releases """ pass def set_weights(self, weights): """ No-op to keep rllib from breaking """ pass def learn_on_batch(self, samples): """ Static policy requires no learning """ return {} def _forward(self, obs_batch, state_batches): if self.use_lstm: obs_batch = np.expand_dims(obs_batch, 1) seq_lens = np.ones(len(obs_batch)) model_out = self.model.predict( [obs_batch, seq_lens] + state_batches ) logits, states = model_out[0], model_out[1:] logits = logits.reshape((logits.shape[0], -1)) return logits, states else: return self.model.predict(obs_batch, verbose=0), [] def _create_execution_context(self): """ Creates a private execution context for the model Necessary if using with rllib in order to isolate this policy model from others """ if self.eager: return NullContextManager() return TfContextManager(self._sess) if __name__ == "__main__": params = get_bc_params() model = train_bc_model( os.path.join(BC_SAVE_DIR, "default"), params, verbose=True ) # Evaluate our model's performance in a rollout evaluate_bc_model(model, params)
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overcooked_ai
overcooked_ai-master/src/human_aware_rl/ppo/ppo_rllib.py
import numpy as np import tensorflow as tf from ray.rllib.models.tf.recurrent_net import RecurrentNetwork from ray.rllib.models.tf.tf_modelv2 import TFModelV2 class RllibPPOModel(TFModelV2): """ Model that will map environment states to action probabilities. Will be shared across agents """ def __init__( self, obs_space, action_space, num_outputs, model_config, name, **kwargs ): super(RllibPPOModel, self).__init__( obs_space, action_space, num_outputs, model_config, name ) # params we got to pass in from the call to "run" custom_params = model_config["custom_model_config"] ## Parse custom network params num_hidden_layers = custom_params["NUM_HIDDEN_LAYERS"] size_hidden_layers = custom_params["SIZE_HIDDEN_LAYERS"] num_filters = custom_params["NUM_FILTERS"] num_convs = custom_params["NUM_CONV_LAYERS"] d2rl = custom_params["D2RL"] assert type(d2rl) == bool ## Create graph of custom network. It will under a shared tf scope such that all agents ## use the same model self.inputs = tf.keras.Input( shape=obs_space.shape, name="observations" ) out = self.inputs # Apply initial conv layer with a larger kenel (why?) if num_convs > 0: y = tf.keras.layers.Conv2D( filters=num_filters, kernel_size=[5, 5], padding="same", activation=tf.nn.leaky_relu, name="conv_initial", ) out = y(out) # Apply remaining conv layers, if any for i in range(0, num_convs - 1): padding = "same" if i < num_convs - 2 else "valid" out = tf.keras.layers.Conv2D( filters=num_filters, kernel_size=[3, 3], padding=padding, activation=tf.nn.leaky_relu, name="conv_{}".format(i), )(out) # Apply dense hidden layers, if any conv_out = tf.keras.layers.Flatten()(out) out = conv_out for i in range(num_hidden_layers): if i > 0 and d2rl: out = tf.keras.layers.Concatenate()([out, conv_out]) out = tf.keras.layers.Dense(size_hidden_layers)(out) out = tf.keras.layers.LeakyReLU()(out) # Linear last layer for action distribution logits layer_out = tf.keras.layers.Dense(self.num_outputs)(out) # Linear last layer for value function branch of model value_out = tf.keras.layers.Dense(1)(out) self.base_model = tf.keras.Model(self.inputs, [layer_out, value_out]) def forward(self, input_dict, state=None, seq_lens=None): model_out, self._value_out = self.base_model(input_dict["obs"]) return model_out, state def value_function(self): return tf.reshape(self._value_out, [-1]) class RllibLSTMPPOModel(RecurrentNetwork): """ Model that will map encoded environment observations to action logits |_______| /-> | value | ___________ _________ ________ / |_______| state -> | conv_net | -> | fc_net | -> | lstm | |__________| |________| |______| \\ |_______________| / \\ \\-> | action_logits | h_in c_in |_______________| """ def __init__( self, obs_space, action_space, num_outputs, model_config, name, **kwargs ): super(RllibLSTMPPOModel, self).__init__( obs_space, action_space, num_outputs, model_config, name ) # params we passed in from rllib client custom_params = model_config["custom_model_config"] ## Parse custom network params num_hidden_layers = custom_params["NUM_HIDDEN_LAYERS"] size_hidden_layers = custom_params["SIZE_HIDDEN_LAYERS"] num_filters = custom_params["NUM_FILTERS"] num_convs = custom_params["NUM_CONV_LAYERS"] cell_size = custom_params["CELL_SIZE"] ### Create graph of the model ### flattened_dim = np.prod(obs_space.shape) # Need an extra batch dimension (None) for time dimension flattened_obs_inputs = tf.keras.Input( shape=(None, flattened_dim), name="input" ) lstm_h_in = tf.keras.Input(shape=(cell_size,), name="h_in") lstm_c_in = tf.keras.Input(shape=(cell_size,), name="c_in") seq_in = tf.keras.Input(shape=(), name="seq_in", dtype=tf.int32) # Restore initial observation shape obs_inputs = tf.keras.layers.Reshape( target_shape=(-1, *obs_space.shape) )(flattened_obs_inputs) out = obs_inputs ## Initial "vision" network # Apply initial conv layer with a larger kenel (why?) if num_convs > 0: out = tf.keras.layers.TimeDistributed( tf.keras.layers.Conv2D( filters=num_filters, kernel_size=[5, 5], padding="same", activation=tf.nn.leaky_relu, name="conv_initial", ) )(out) # Apply remaining conv layers, if any for i in range(0, num_convs - 1): padding = "same" if i < num_convs - 2 else "valid" out = tf.keras.layers.TimeDistributed( tf.keras.layers.Conv2D( filters=num_filters, kernel_size=[3, 3], padding=padding, activation=tf.nn.leaky_relu, name="conv_{}".format(i), ) )(out) # Flatten spatial features out = tf.keras.layers.TimeDistributed(tf.keras.layers.Flatten())(out) # Apply dense hidden layers, if any for i in range(num_hidden_layers): out = tf.keras.layers.TimeDistributed( tf.keras.layers.Dense( units=size_hidden_layers, activation=tf.nn.leaky_relu, name="fc_{0}".format(i), ) )(out) ## LSTM network lstm_out, h_out, c_out = tf.keras.layers.LSTM( cell_size, return_sequences=True, return_state=True, name="lstm" )( inputs=out, mask=tf.sequence_mask(seq_in), initial_state=[lstm_h_in, lstm_c_in], ) # Linear last layer for action distribution logits layer_out = tf.keras.layers.Dense(self.num_outputs, name="logits")( lstm_out ) # Linear last layer for value function branch of model value_out = tf.keras.layers.Dense(1, name="values")(lstm_out) self.cell_size = cell_size self.base_model = tf.keras.Model( inputs=[flattened_obs_inputs, seq_in, lstm_h_in, lstm_c_in], outputs=[layer_out, value_out, h_out, c_out], ) def forward_rnn(self, inputs, state, seq_lens): """ Run the forward pass of the model Arguments: inputs: np.array of shape [BATCH, T, obs_shape] state: list of np.arrays [h_in, c_in] each of shape [BATCH, self.cell_size] seq_lens: np.array of shape [BATCH] where the ith element is the length of the ith sequence Output: model_out: tensor of shape [BATCH, T, self.num_outputs] representing action logits state: list of tensors [h_out, c_out] each of shape [BATCH, self.cell_size] """ model_out, self._value_out, h_out, c_out = self.base_model( [inputs, seq_lens, state] ) return model_out, [h_out, c_out] def value_function(self): """ Returns a tensor of shape [BATCH * T] representing the value function for the most recent forward pass """ return tf.reshape(self._value_out, [-1]) def get_initial_state(self): """ Returns the initial hidden state for the LSTM """ return [ np.zeros(self.cell_size, np.float32), np.zeros(self.cell_size, np.float32), ]
8,450
34.508403
110
py
CBA
CBA-main/vignette.py
#this file is to teach you how to use CBA """ Created on Fri Mar 27 18:58:59 2020 @author: 17b90 """ import kBET import scipy import random import keras as K import numpy as np import pandas as pd import scanpy as sc import seaborn as sns import scipy.io as sio import tensorflow as tf from keras import layers from ywb_function import * import sklearn.metrics as sm from collections import Counter import matplotlib.pyplot as plt from keras.regularizers import l2 from sklearn import preprocessing from keras.layers.core import Lambda from keras.callbacks import TensorBoard from imblearn.over_sampling import SMOTE,ADASYN from keras.callbacks import LearningRateScheduler from sklearn.cluster import AgglomerativeClustering from sklearn.model_selection import train_test_split from imblearn.over_sampling import RandomOverSampler from mpl_toolkits.axes_grid1 import make_axes_locatable from scipy.cluster.hierarchy import dendrogram, linkage ############################################################################### #input the data RAWseries1= #batch one, gene * cell RAWseries2= #batch two, gene * cell #input the label choose_seriestype1= #cluster1, cell * 1, the element should be like 'gamma', not number choose_seriestype2= #cluster2, cell * 1, the element should be like 'gamma', not number #input the gene name genename= #gene name, (gene * none) fromname= #input your code name #we choose some parameters min_cells= #remove some genes, expressed in less than 50 cells pca_dim= #the number of PCs, you can choose as you like minnumberofcluster= #this parameter is used for doing Louvain clustering again #because sometimes obtained clusters by Louvain are quite big, you can do Louvain again for each obtained cluster #no rule, if you think the clusters are big, you can do it, judged by yourself #clusters with more than $minnumberofcluster$ cells will be clustered again to make them smaller #I think this hardly influence the result, just make it beautiful, so you can choose it! clusternumber= #the number of neighboors when doing the cluster matching, we choose one neighbor, but you can choose more chosen_cluster= #select your target cell types, like ['alpha','beta','ductal','acinar','delta','gamma','endothelial','epsilon'] cluster_index2= #give each cell type an index, like {'alpha':0,'beta':1,'ductal':2,'acinar':3,'delta':4,'gamma':5,'endothelial':6,'epsilon':7} ############################################################################### #merge them Alldata=np.concatenate([RAWseries1.T,RAWseries2.T]) Alllabel=np.concatenate([choose_seriestype1,choose_seriestype2]) Allbatch=np.concatenate([np.zeros(choose_seriestype1.shape[0]),np.zeros(choose_seriestype2.shape[0])+1]) ############################################################################### #ok, we select some interesting cell types chosen_index=np.arange(Alllabel.shape[0]) for i in range(Alllabel.shape[0]): if Alllabel[i] in chosen_cluster: chosen_index[i]=1 else: chosen_index[i]=0 Alldata=Alldata[chosen_index==1,:] Allbatch=Allbatch[chosen_index==1] Alllabel=Alllabel[chosen_index==1] ############################################################################### #and them, use numbers to replace the name of cell types Numlabel=np.zeros(Alllabel.shape[0]) for i in range(Alllabel.shape[0]): Numlabel[i]=cluster_index2[Alllabel[i][0]] ############################################################################### #use Scanpy!!! anndata=sc.AnnData(pd.DataFrame(Alldata,columns=genename)) sc.pp.filter_genes(anndata,min_cells=min_cells) sc.pp.normalize_per_cell(anndata,counts_per_cell_after=1e4) sc.pp.log1p(anndata) sc.pp.highly_variable_genes(anndata) sc.pl.highly_variable_genes(anndata) anndata=anndata[:,anndata.var['highly_variable']] sc.pl.highest_expr_genes(anndata,n_top=20) sc.tl.pca(anndata,n_comps=100,svd_solver='arpack') sc.pl.pca(anndata) sc.pl.pca_variance_ratio(anndata,log=True,n_pcs=100,save=[True,'pancreas']) #after prepossessing, we rename these datasets Alldata_aft=anndata.obsm['X_pca'][:,0:pca_dim] #this is for the preparation of deep learning training, the training is hard if you don't do that Alldata_aft=preprocessing.StandardScaler().fit_transform(Alldata_aft) Alldata_aft=preprocessing.MinMaxScaler().fit_transform(Alldata_aft) PCAseries1=Alldata_aft[Allbatch==0,:][Numlabel[Allbatch==0].argsort()] PCAseries2=Alldata_aft[Allbatch==1,:][Numlabel[Allbatch==1].argsort()] choose_seriestype1=Numlabel[Allbatch==0][Numlabel[Allbatch==0].argsort()].astype('int') choose_seriestype2=Numlabel[Allbatch==1][Numlabel[Allbatch==1].argsort()].astype('int') ############################################################################### #do Louvain clustering cluster_series1=sc.AnnData(PCAseries1) cluster_series2=sc.AnnData(PCAseries2) sc.pp.neighbors(cluster_series1,n_pcs=0) sc.pp.neighbors(cluster_series2,n_pcs=0) sc.tl.umap(cluster_series1) sc.tl.umap(cluster_series2) sc.tl.louvain(cluster_series1) sc.tl.louvain(cluster_series2) sc.pl.umap(cluster_series1,color='louvain',size=30) sc.pl.umap(cluster_series2,color='louvain',size=30) cluster1=np.array(list(map(int,cluster_series1.obs['louvain']))) cluster2=np.array(list(map(int,cluster_series2.obs['louvain']))) ############################################################################### #ok, as you like, you can do clustering for each cluster, or not recluster1=np.zeros(cluster1.shape[0]) recluster2=np.zeros(cluster2.shape[0]) palsecluster1=cluster1 count_cluster1=pd.value_counts(cluster_series1.obs['louvain']) for i in range(1000000000000000):#until there are no clusters with more than $minnumberofcluster$ cells if count_cluster1.max()<minnumberofcluster: break else: print(count_cluster1.max()) recluster1=np.zeros(cluster1.shape[0]) recluster1_number=0 for i in np.unique(palsecluster1): index=palsecluster1==i if index.sum()<minnumberofcluster: thisrecluster=np.zeros(index.sum()) recluster1[index]=thisrecluster+recluster1_number recluster1_number=len(np.unique(recluster1)) else: data=PCAseries1[index] anndata=sc.AnnData(data) sc.pp.neighbors(anndata,n_pcs=0) sc.tl.louvain(anndata) thisrecluster=np.array(list(map(int,anndata.obs['louvain']))) recluster1[index]=thisrecluster+recluster1_number recluster1_number=len(np.unique(recluster1)) palsecluster1=recluster1.astype('int') count_cluster1=pd.value_counts(palsecluster1) palsecluster2=cluster2 count_cluster2=pd.value_counts(cluster_series2.obs['louvain']) for i in range(1000000000000000): if count_cluster2.max()<minnumberofcluster: break else: print(count_cluster2.max()) recluster2=np.zeros(cluster2.shape[0]) recluster2_number=0 for i in np.unique(palsecluster2): index=palsecluster2==i if index.sum()<minnumberofcluster: thisrecluster=np.zeros(index.sum()) recluster2[index]=thisrecluster+recluster2_number recluster2_number=len(np.unique(recluster2)) else: data=PCAseries2[index] anndata=sc.AnnData(data) sc.pp.neighbors(anndata,n_pcs=0) sc.tl.louvain(anndata) thisrecluster=np.array(list(map(int,anndata.obs['louvain']))) recluster2[index]=thisrecluster+recluster2_number recluster2_number=len(np.unique(recluster2)) palsecluster2=recluster2.astype('int') count_cluster2=pd.value_counts(palsecluster2) recluster1=palsecluster1 recluster2=palsecluster2 ############################################################################### #show the Louvain results series1=sc.AnnData(PCAseries1) series2=sc.AnnData(PCAseries2) sc.pp.neighbors(series1,n_pcs=0) sc.pp.neighbors(series2,n_pcs=0) sc.tl.umap(series1) sc.tl.umap(series2) df1=pd.DataFrame(choose_seriestype1) df1=pd.Series(np.reshape(df1.values,df1.values.shape[0]), dtype="category") series1.obs['real']=df1.values df2=pd.DataFrame(choose_seriestype2) df2=pd.Series(np.reshape(df2.values,df2.values.shape[0]), dtype="category") series2.obs['real']=df2.values sc.pl.umap(series1,color='real',size=30) sc.pl.umap(series2,color='real',size=30) df1=pd.DataFrame(recluster1.astype('int')) df1=pd.Series(np.reshape(df1.values,df1.values.shape[0]), dtype="category") series1.obs['recluster']=df1.values df2=pd.DataFrame(recluster2.astype('int')) df2=pd.Series(np.reshape(df2.values,df2.values.shape[0]), dtype="category") series2.obs['recluster']=df2.values sc.pl.umap(series1,color='recluster',size=30) sc.pl.umap(series2,color='recluster',size=30) ############################################################################### #this is used to select the metric when selecting neighbor clusters def dis(P,Q,distance_method): if distance_method==0:#euclidean distance return np.sqrt(np.sum(np.square(P-Q))) if distance_method==1:#cos distance return 1-(np.multiply(P,Q).sum()/(np.sqrt(np.sum(np.square(P)))*np.sqrt(np.sum(np.square(Q))))) ############################################################################### #you can choose change their turn or not if len(np.unique(recluster1))>=len(np.unique(recluster2)): a=PCAseries1 PCAseries1=PCAseries2 PCAseries2=a b=choose_seriestype1 choose_seriestype1=choose_seriestype2 choose_seriestype2=b c=cluster1 cluster1=cluster2 cluster2=c d=recluster1 recluster1=recluster2 recluster2=d ############################################################################### #ok, let's calculate the similarity of cells/clusters correlation_recluster=np.zeros([len(np.unique(recluster1)),len(np.unique(recluster2))]) correlation_recluster_cell=np.zeros([recluster1.shape[0],recluster2.shape[0]]) for i in range(len(np.unique(recluster1))): for j in range(len(np.unique(recluster2))): print(i,j) index_series1=np.where(recluster1==i)[0] index_series2=np.where(recluster2==j)[0] cell_series1=PCAseries1[index_series1,:] cell_series2=PCAseries2[index_series2,:] mean1=0 for iq in range(cell_series1.shape[0]): for jq in range(cell_series2.shape[0]): mean1+=dis(cell_series1[iq,:],cell_series2[jq,:],1) correlation_recluster[i,j]=mean1/(cell_series1.shape[0]*cell_series2.shape[0]) for ii in range(cell_series1.shape[0]): for jj in range(cell_series2.shape[0]): mean2=dis(cell_series1[ii,:],cell_series2[jj,:],0) correlation_recluster_cell[index_series1[ii],index_series2[jj]]=mean2 plt.imshow(correlation_recluster) plt.imshow(correlation_recluster_cell) correlation_recluster_div=-np.log10(correlation_recluster) correlation_recluster_cell_div=-np.log10(correlation_recluster_cell) correlation_recluster_norm=(correlation_recluster_div-correlation_recluster_div.min())/(correlation_recluster_div.max()-correlation_recluster_div.min()) correlation_recluster_cell_norm=(correlation_recluster_cell_div-correlation_recluster_cell_div.min())/(correlation_recluster_cell_div.max()-correlation_recluster_cell_div.min()) #show them plt.imshow(correlation_recluster_norm) plt.imshow(correlation_recluster_cell_norm) ############################################################################### #remove bad parts, do the matching correlation_recluster_select=np.zeros(correlation_recluster_norm.shape) recluster_mid=np.zeros(recluster1.shape) for kk in range(correlation_recluster_norm.shape[0]): ind=np.sort(correlation_recluster_norm[kk,:]) select=correlation_recluster_norm[kk,:]<ind[-clusternumber] select=(select==False) recluster_mid[recluster1==kk]+=int(np.where(select==True)[0]) correlation_recluster_select[kk,:]=correlation_recluster_norm[kk,:]*select plt.imshow(correlation_recluster_select) correlation_recluster_cell_final=correlation_recluster_cell*0 for i in range(correlation_recluster_cell_norm.shape[0]): for j in range(correlation_recluster_cell_norm.shape[1]): label1=recluster1[i] label2=recluster2[j] mean1=correlation_recluster_select[label1,label2] mean2=correlation_recluster_cell_norm[i,j] if mean1==0: correlation_recluster_cell_final[i,j]=0 else: correlation_recluster_cell_final[i,j]=mean2 plt.imshow(correlation_recluster_select) plt.imshow(correlation_recluster_cell_final) recluster1=recluster_mid.astype('int') sort_correlation_recluster_cell_final=correlation_recluster_cell_final[recluster1.argsort(),:] sort_correlation_recluster_cell_final=sort_correlation_recluster_cell_final[:,recluster2.argsort()] ############################################################################### #heatmap heatmap(correlation_recluster_cell_final,choose_seriestype1,choose_seriestype2,save=False,name='pancreasmatrix') heatmap(sort_correlation_recluster_cell_final,np.sort(recluster1)+9,np.sort(recluster2)+9,save=False,name='ourpancreasmatrix') ############################################################################### #ok, I use keras, cells in each input are randomly selected, I don't know how to match cells with their similarity #I also don't know how to match the cell part with their distance, so I design the following inputs #It will waste some time, it's not easy and unclear for readers, but it works! x_input1=np.zeros([PCAseries1.shape[0],PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]+recluster2.max()+1]) x_input2=np.zeros([PCAseries2.shape[0],PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]+recluster2.max()+1]) for i in range(PCAseries1.shape[0]): print(i) x_input1[i,0:PCAseries1.shape[1]]=PCAseries1[i,:] x_input1[i,PCAseries1.shape[1]:PCAseries1.shape[1]+PCAseries1.shape[0]]=K.utils.np_utils.to_categorical(i,PCAseries1.shape[0]) x_input1[i,PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]=correlation_recluster_cell_final[i,:] x_input1[i,PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]:]=K.utils.np_utils.to_categorical(recluster1[i],recluster2.max()+1) for j in range(PCAseries2.shape[0]): print(j) x_input2[j,0:PCAseries2.shape[1]]=PCAseries2[j,:] x_input2[j,PCAseries2.shape[1]:PCAseries2.shape[1]+PCAseries2.shape[0]]=K.utils.np_utils.to_categorical(j,PCAseries2.shape[0]) x_input2[j,PCAseries2.shape[1]+PCAseries2.shape[0]:PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]]=correlation_recluster_cell_final[:,j] x_input2[j,PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]:]=K.utils.np_utils.to_categorical(recluster2[j],recluster2.max()+1) ############################################################################### #interesting, I need to make two batches have the same number of cells, so I have to copy cells again and again if x_input1.shape[0]>=x_input2.shape[0]: x_test1=x_input1 y_test1=recluster1 y_testreal1=choose_seriestype1 repeat_num=int(np.ceil(x_input1.shape[0]/x_input2.shape[0])) x_test2=np.tile(x_input2,(repeat_num,1)) y_test2=np.tile(recluster2,repeat_num) y_testreal2=np.tile(choose_seriestype2,repeat_num) x_test2=x_test2[0:x_test1.shape[0],:] y_test2=y_test2[0:x_test1.shape[0]] y_testreal2=y_testreal2[0:x_test1.shape[0]] elif x_input1.shape[0]<x_input2.shape[0]: x_test2=x_input2 y_test2=recluster2 y_testreal2=choose_seriestype2 repeat_num=int(np.ceil(x_input2.shape[0]/x_input1.shape[0])) x_test1=np.tile(x_input1,(repeat_num,1)) y_test1=np.tile(recluster1,repeat_num) y_testreal1=np.tile(choose_seriestype1,repeat_num) x_test1=x_test1[0:x_test2.shape[0],:] y_test1=y_test1[0:x_test2.shape[0]] y_testreal1=y_testreal1[0:x_test2.shape[0]] ############################################################################### def choose_info(x,info_number): return x[:,0:info_number] def choose_index(x,info_number,x_samplenumber): return x[:,info_number:info_number+x_samplenumber] def choose_corrlation(x,info_number,x_samplenumber,cor_number): return x[:,info_number+x_samplenumber:info_number+x_samplenumber+cor_number] def choose_relabel(x,info_number,x_samplenumber,cor_number): return x[:,info_number+x_samplenumber+cor_number:] def slic(input_): return input_[:,0] ############################################################################### activation='relu' info_number=PCAseries1.shape[1] layer=PCAseries1.shape[1] input1=K.Input(shape=(x_test1.shape[1],))#line1 species1 input2=K.Input(shape=(x_test2.shape[1],))#line1 species2 input3=K.Input(shape=(x_test1.shape[1],))#line2 species1 input4=K.Input(shape=(x_test2.shape[1],))#line2 species2 Data1=Lambda(choose_info,arguments={'info_number':info_number})(input1) Data2=Lambda(choose_info,arguments={'info_number':info_number})(input2) Data3=Lambda(choose_info,arguments={'info_number':info_number})(input3) Data4=Lambda(choose_info,arguments={'info_number':info_number})(input4) Index1=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0]})(input1) Index2=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0]})(input2) Index3=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0]})(input3) Index4=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0]})(input4) Cor1=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input1) Cor2=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input2) Cor3=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input3) Cor4=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input4) Relabel1=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input1) Relabel2=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input2) Relabel3=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input3) Relabel4=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input4) x_concat1=layers.concatenate([Data1,Data3])#batch1 x_concat2=layers.concatenate([Data2,Data4])#batch2 x1=layers.Dense(layer,activation=activation)(Data1) x2=layers.Dense(layer,activation=activation)(Data2) x3=layers.Dense(layer,activation=activation)(Data3) x4=layers.Dense(layer,activation=activation)(Data4) x1=layers.BatchNormalization()(x1) x2=layers.BatchNormalization()(x2) x3=layers.BatchNormalization()(x3) x4=layers.BatchNormalization()(x4) x1_mid1=layers.Dense(layer,activation=activation)(layers.concatenate([x1,x2])) x2_mid1=layers.Dense(layer,activation=activation)(layers.concatenate([x1,x2])) x1_mid2=layers.Dense(layer,activation=activation)(layers.concatenate([x3,x4])) x2_mid2=layers.Dense(layer,activation=activation)(layers.concatenate([x3,x4])) x1_mid1=layers.BatchNormalization()(x1_mid1) x2_mid1=layers.BatchNormalization()(x2_mid1) x1_mid2=layers.BatchNormalization()(x1_mid2) x2_mid2=layers.BatchNormalization()(x2_mid2) layer_classify=layers.Dense(recluster2.max()+1,activation='relu') y1=layer_classify(x1_mid1) y2=layer_classify(x2_mid1) y3=layer_classify(x1_mid2) y4=layer_classify(x2_mid2) x1=layers.concatenate([x1_mid1,x1_mid2])#batch1 x2=layers.concatenate([x2_mid1,x2_mid2])#batch2 output1=layers.Dense(2*layer,activation=activation)(x1) output2=layers.Dense(2*layer,activation=activation)(x2) output1=layers.BatchNormalization()(output1) output2=layers.BatchNormalization()(output2) def loss_weight(input_): return tf.reduce_sum(tf.multiply(input_[0],input_[1]),axis=-1) def MSE(input_): return tf.reduce_mean(tf.square(input_[0]-input_[1]),axis=-1) def multi_classification_loss(input_): return tf.keras.losses.categorical_crossentropy(input_[0],input_[1]) AE_loss_1=Lambda(MSE)([output1,x_concat1]) AE_loss_2=Lambda(MSE)([output2,x_concat2]) cls_loss_1=Lambda(MSE)([y1,Relabel1]) cls_loss_2=Lambda(MSE)([y2,Relabel2]) cls_loss_3=Lambda(MSE)([y3,Relabel3]) cls_loss_4=Lambda(MSE)([y4,Relabel4]) interweight1=Lambda(loss_weight)([Index1,Cor2]) interweight4=Lambda(loss_weight)([Index3,Cor4]) interloss_1=Lambda(MSE)([x1_mid1,x2_mid1]) interloss_4=Lambda(MSE)([x1_mid2,x2_mid2]) interloss_1=layers.Multiply()([interweight1,interloss_1]) interloss_4=layers.Multiply()([interweight4,interloss_4]) intraweight1=Lambda(loss_weight)([Relabel1,Relabel3]) intraweight2=Lambda(loss_weight)([Relabel2,Relabel4]) intraloss_1=Lambda(MSE)([x1_mid1,x1_mid2]) intraloss_2=Lambda(MSE)([x2_mid1,x2_mid2]) intraloss_1=layers.Multiply()([intraweight1,intraloss_1]) intraloss_2=layers.Multiply()([intraweight2,intraloss_2]) Loss1=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss1')([AE_loss_1,AE_loss_2]) Loss2=Lambda(lambda x:(x[0]*1+x[1]*1+x[2]*1+x[3]*1)/4,name='loss2')([cls_loss_1,cls_loss_2,cls_loss_3,cls_loss_4]) Loss3=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss3')([interloss_1,interloss_4]) Loss4=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss4')([intraloss_1,intraloss_2]) ############################################################################### network_train=K.models.Model([input1,input2,input3,input4],[Loss1,Loss2,Loss3,Loss4]) network_train.summary() ############################################################################### intra_data1={} inter_data1={} for i in range(x_test1.shape[0]): label_i=y_test1[i] intra_data1[i]=np.where(y_test1==label_i) inter_data1[i]=np.where(y_test1!=label_i) intra_data2={} inter_data2={} for i in range(x_test2.shape[0]): label_i=y_test2[i] intra_data2[i]=np.where(y_test2==label_i) inter_data2[i]=np.where(y_test2!=label_i) ############################################################################### batch_size=256 train_loss=[] loss1=[] loss2=[] loss3=[] loss4=[] ############################################################################### iterations=10000000 lr=1e-4 optimizer=K.optimizers.Adam(lr=lr) loss_weights=[1,1,1,1] #these four parts will not converge at the same speed, I don't know how to resolve it #so I choose a hard strategy, if either one is too small, stop the training, enlarge its weight, do training again #I think you can train this model better...or maybe you can teach me how to auto-balance the weight, thank you! network_train.compile(optimizer=optimizer, loss=[lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred], loss_weights=loss_weights) for i in range(iterations): x_input1_series1_train=np.zeros(x_test1.shape) index0=np.zeros(x_input1_series1_train.shape[0]) x_input1_series2_train=np.zeros(x_test2.shape) index1=np.zeros(x_input1_series2_train.shape[0]) x_input2_series1_train=np.zeros(x_test1.shape) index2=np.zeros(x_input2_series1_train.shape[0]) x_input2_series2_train=np.zeros(x_test2.shape) index3=np.zeros(x_input2_series2_train.shape[0]) for ii in range(x_test1.shape[0]): index0[ii]=random.choice(range(x_test1.shape[0])) rand1=random.random() in_rand1=np.where(x_test1[ii,:][PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]>0)[0] out_rand1=np.where(x_test1[ii,:][PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]<=0)[0] if rand1>=0.5: index1[ii]=random.choice(in_rand1) elif rand1<0.5: index1[ii]=random.choice(out_rand1) rand2=random.random() if rand2>=0.5: index2[ii]=random.choice(intra_data1[index0[ii]][0]) elif rand2<0.5: index2[ii]=random.choice(inter_data1[index0[ii]][0]) rand3=random.random() if rand3>=0.5: index3[ii]=random.choice(intra_data2[index1[ii]][0]) elif rand3<0.5: index3[ii]=random.choice(inter_data2[index1[ii]][0]) train1=x_test1[index0.astype('int'),:] train2=x_test2[index1.astype('int'),:] train3=x_test1[index2.astype('int'),:] train4=x_test2[index3.astype('int'),:] Train=network_train.fit([train1,train2,train3,train4], [np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1])], batch_size=batch_size,shuffle=True) train_loss.append(Train.history['loss'][:][0]) loss1.append(Train.history['loss1_loss'][:][0]*loss_weights[0]) loss2.append(Train.history['loss2_loss'][:][0]*loss_weights[1]) loss3.append(Train.history['loss3_loss'][:][0]*loss_weights[2]) loss4.append(Train.history['loss4_loss'][:][0]*loss_weights[3]) print(i,'loss=', Train.history['loss'][:][0], Train.history['loss1_loss'][:][0]*loss_weights[0], Train.history['loss2_loss'][:][0]*loss_weights[1], Train.history['loss3_loss'][:][0]*loss_weights[2], Train.history['loss4_loss'][:][0]*loss_weights[3]) if i>500: plt.plot(train_loss[:]) plt.plot(loss1[:]) plt.plot(loss2[:]) plt.plot(loss3[:]) plt.plot(loss4[:]) plt.title('Model loss') plt.ylabel('Loss') plt.ylim(0,max(max(train_loss[i-500:],loss1[i-500:],loss2[i-500:],loss3[i-500:],loss4[i-500:]))) plt.xlim(i-500,i) plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() plt.plot(train_loss[:]) plt.plot(loss1[:]) plt.plot(loss2[:]) plt.plot(loss3[:]) plt.plot(loss4[:]) plt.title('Model loss') plt.ylabel('Loss') plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() else: plt.plot(train_loss[500:]) plt.plot(loss1[500:]) plt.plot(loss2[500:]) plt.plot(loss3[500:]) plt.plot(loss4[500:]) plt.title('Model loss') plt.ylabel('Loss') plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() ############################################################################### network_predict=K.models.Model([input1,input2,input3,input4],[x1_mid1,x2_mid1,x1_mid2,x2_mid2]) [low_dim1,low_dim2,low_dim3,low_dim4]=network_predict.predict([x_test1,x_test2,x_test1,x_test2]) low_dim1=low_dim1[0:x_input1.shape[0]] low_dim2=low_dim2[0:x_input2.shape[0]] low_dim3=low_dim3[0:x_input1.shape[0]] low_dim4=low_dim4[0:x_input2.shape[0]] low_dim1=np.concatenate([low_dim1,low_dim3],axis=1) low_dim2=np.concatenate([low_dim2,low_dim4],axis=1) y_real_no1=y_testreal1[0:x_input1.shape[0]] y_recluster_no1=recluster1[0:x_input1.shape[0]] y_real_no2=y_testreal2[0:x_input2.shape[0]] y_recluster_no2=recluster2[0:x_input2.shape[0]] total_real_type=np.concatenate([y_real_no1,y_real_no2]) total_recluster_type=np.concatenate([y_recluster_no1,y_recluster_no2]) ############################################################################### series1=sc.AnnData(low_dim1) series2=sc.AnnData(low_dim2) mergedata=series1.concatenate(series2) mergedata.obsm['NN']=mergedata.X sc.pp.neighbors(mergedata,n_pcs=0) sc.tl.louvain(mergedata) sc.tl.leiden(mergedata) sc.tl.umap(mergedata) df=pd.DataFrame(total_real_type.astype('int')) df=pd.Series(np.reshape(df.values,df.values.shape[0]), dtype="category") mergedata.obs['real']=df.values sc.pl.umap(mergedata,color='louvain',size=30) sc.pl.umap(mergedata,color='leiden',size=30) sc.pl.umap(mergedata,color='batch',size=30) sc.pl.umap(mergedata,color='real',size=30) type_louvain=mergedata.obs['louvain'] type_leiden=mergedata.obs['leiden'] type_batch=mergedata.obs['batch'] type_real=mergedata.obs['real'] ############################################################################### umapdata=pd.DataFrame(mergedata.obsm['X_umap'].T,index=['tSNE1','tSNE2']) umapdata1=pd.DataFrame(mergedata.obsm['X_umap'][0:PCAseries1.shape[0],:].T,index=['tSNE1','tSNE2']) umapdata2=pd.DataFrame(mergedata.obsm['X_umap'][PCAseries1.shape[0]:,:].T,index=['tSNE1','tSNE2']) ############################################################################### plot_tSNE_batchclusters(umapdata1,umapdata2,choose_seriestype1,choose_seriestype2,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'batch1') plot_tSNE_batchclusters(umapdata2,umapdata1,choose_seriestype2,choose_seriestype1,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'batch2') plot_tSNE_clusters(umapdata,list(map(int,type_batch)), cluster_colors=cluster_colors,save=False,name=fromname+'batch') plot_tSNE_sepclusters(umapdata1,umapdata2,choose_seriestype1,choose_seriestype2,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'label1') plot_tSNE_sepclusters(umapdata2,umapdata1,choose_seriestype2,choose_seriestype1,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'label2') plot_tSNE_clusters(umapdata,list(map(int,type_real)), cluster_colors=cluster_colors,save=False, name=fromname+'label') #sio.savemat('pancreas_ourdata.mat',{'mergedata':mergedata.X,'umapdata':umapdata.values})#you need to see whether two batches are changed in turn, if so do changing again by yourself!!!
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CBA-main/evaluation/evaluation_pancreas.py
# -*- coding: utf-8 -*- """ Created on Fri Mar 27 18:58:59 2020 @author: 17b90 """ import keras as K import pandas as pd from keras import layers import numpy as np import matplotlib.pyplot as plt import tensorflow as tf from sklearn.decomposition import PCA import scanpy as sc import scipy import pickle from sklearn.manifold import TSNE from keras.layers.core import Lambda import scipy.io as sio import seaborn as sns import umap import numpy as np import metrics from ywb_function import * import scanorama import sklearn.metrics as sm import kBET we_use=[1,2]#we try to integrate pancreas1 and pancreas2 #input the data RAWseries1=pd.read_csv('RAWseries_'+str(we_use[0])+'.csv',header=None)[1:].values.astype('single') RAWseries2=pd.read_csv('RAWseries_'+str(we_use[1])+'.csv',header=None)[1:].values.astype('single') #input the label choose_seriestype1=pd.read_csv('realseries_'+str(we_use[0])+'.csv',header=None)[1:].values choose_seriestype2=pd.read_csv('realseries_'+str(we_use[1])+'.csv',header=None)[1:].values Alldata=np.concatenate([RAWseries1.T,RAWseries2.T]) Alllabel=np.concatenate([choose_seriestype1,choose_seriestype2]) Allbatch=np.concatenate([np.zeros(choose_seriestype1.shape[0]),np.zeros(choose_seriestype2.shape[0])+1]) ############################################################################### chosen_cluster=['alpha','beta','ductal','acinar','delta','gamma','endothelial','epsilon'] chosen_index=np.arange(Alllabel.shape[0]) for i in range(Alllabel.shape[0]): if Alllabel[i] in chosen_cluster: chosen_index[i]=1 else: chosen_index[i]=0 Alldata=Alldata[chosen_index==1,:] Allbatch=Allbatch[chosen_index==1] Alllabel=Alllabel[chosen_index==1] ############################################################################### Numlabel=np.zeros(Alllabel.shape[0]) cluster_index2={'alpha':0,'beta':1,'ductal':2,'acinar':3,'delta':4,'gamma':5,'endothelial':6,'epsilon':7} for i in range(Alllabel.shape[0]): Numlabel[i]=cluster_index2[Alllabel[i][0]] ############################################################################### choose_seriestype1=Numlabel[Allbatch==0][Numlabel[Allbatch==0].argsort()].astype('int') choose_seriestype2=Numlabel[Allbatch==1][Numlabel[Allbatch==1].argsort()].astype('int') Numlabel[Allbatch==0]=choose_seriestype1 Numlabel[Allbatch==1]=choose_seriestype2 total_given_type=Numlabel merge=sio.loadmat('pancreas_ourdata')['mergedata'] #here is hard, you need to check which one is batch1 and which one is batch2, I do that manually mergedata=sc.AnnData(merge) total_batch_type=np.concatenate([choose_seriestype1*0,choose_seriestype2*0+1]) total_batch_type=np.reshape(total_batch_type,total_batch_type.shape[0]) mergedata.obs['batch']=total_batch_type zero_type=np.concatenate([choose_seriestype1*0,choose_seriestype2*0]) zero_type=np.reshape(zero_type,zero_type.shape[0]) mergedata.obs['zero']=zero_type total_given_type=np.concatenate([choose_seriestype1,choose_seriestype2]) total_given_type=np.reshape(total_given_type,total_given_type.shape[0]) mergedata.obs['real']=total_given_type mergedata.obsm["embedding"]=mergedata.X sc.pp.neighbors(mergedata,n_pcs=0) mergedata.obsm['NN']=mergedata.X sc.tl.louvain(mergedata,resolution=0.5) sc.tl.umap(mergedata) sc.pl.umap(mergedata,color=['batch','louvain','real']) type_louvain=mergedata.obs['louvain'] type_batch=mergedata.obs['batch'] type_real=mergedata.obs['real'] type_batch=type_batch.replace('ref',0) type_batch=type_batch.replace('new',1) ############################################################################### kBET_score=kBET.kbet(mergedata,'batch','real',embed='embedding') for i in range(8): print(kBET_score['kBET'][i]) print(kBET_score.mean()[1]) kBET_score_whole=kBET.kbet(mergedata,'batch','zero',embed='embedding') print(kBET_score_whole.mean()[1]) S_score=kBET.silhouette(mergedata,'real',metric='euclidean',embed='embedding') print(S_score) NMI_louvain=kBET.nmi(mergedata,'louvain','real') print(NMI_louvain) ARI_louvain=kBET.ari(mergedata,'louvain','real') print(ARI_louvain) FMI_louvain=sm.fowlkes_mallows_score(type_real,type_louvain) print(FMI_louvain) ############################################################################### umapdata=pd.DataFrame(mergedata.obsm['X_umap'].T,index=['tSNE1','tSNE2']) umapdata1=pd.DataFrame(mergedata.obsm['X_umap'][0:(Allbatch==0).sum(),:].T,index=['tSNE1','tSNE2']) umapdata2=pd.DataFrame(mergedata.obsm['X_umap'][(Allbatch==0).sum():,:].T,index=['tSNE1','tSNE2']) ############################################################################## fromname='do' plot_tSNE_clusters(umapdata,list(map(int,type_real)), cluster_colors=cluster_colors,save=False, name=fromname+'label')
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CBA
CBA-main/lung/ywb_function.py
import scipy import random import keras as K import numpy as np import pandas as pd import scanpy as sc import seaborn as sns import scipy.io as sio import tensorflow as tf from keras import layers from ywb_function import * from collections import Counter import matplotlib.pyplot as plt from keras.regularizers import l2 from sklearn import preprocessing from keras.layers.core import Lambda from keras.callbacks import TensorBoard from keras.callbacks import LearningRateScheduler from sklearn.cluster import AgglomerativeClustering from sklearn.model_selection import train_test_split from imblearn.over_sampling import RandomOverSampler from mpl_toolkits.axes_grid1 import make_axes_locatable def color(value): digit = list(map(str, range(10))) + list("ABCDEF") if isinstance(value, tuple): string = '#' for i in value: a1 = i // 16 a2 = i % 16 string += digit[a1] + digit[a2] return string elif isinstance(value, str): a1 = digit.index(value[1]) * 16 + digit.index(value[2]) a2 = digit.index(value[3]) * 16 + digit.index(value[4]) a3 = digit.index(value[5]) * 16 + digit.index(value[6]) return (a1, a2, a3) cluster_colors=[ color((213,94,0)), color((0,114,178)), color((204,121,167)), color((0,158,115)), color((86,180,233)), color((230,159,0)), color((240,228,66)), color((0,0,0)), '#D3D3D3', '#FF00FF', '#aec470', '#b3ee3d', '#de4726', '#f69149', '#f81919', '#ff49b0', '#f05556', '#fadf0b', '#f8c495', '#ffc1c1', '#ffc125', '#ffc0cb', '#ffbbff', '#ffb90f', '#ffb6c1', '#ffb5c5', '#ff83fa', '#ff8c00', '#ff4040', '#ff3030', '#ff34b3', '#00fa9a', '#ca4479', '#eead0e', '#ff1493', '#0ab4e4', '#1e6a87', '#800080', '#00e5ee', '#c71585', '#027fd0', '#004dba', '#0a9fb4', '#004b71', '#285528', '#2f7449', '#21b183', '#3e4198', '#4e14a6', '#5dd73d', '#64a44e', '#6787d6', '#6c6b6b', '#6c6b6b', '#7759a4', '#78edff', '#762a14', '#9805cc', '#9b067d', '#af7efe', '#a7623d'] def plot_tSNE_clusters(df_tSNE,labels,cluster_colors=None,s=6,save=False,name=None): fig,ax=plt.subplots(figsize=(4, 4)) ax.scatter(df_tSNE.loc['tSNE1'], df_tSNE.loc['tSNE2'],s=s,alpha=0.8,lw=0,c=[cluster_colors[i] for i in labels]) ax.axis('equal') ax.set_axis_off() if save==True: plt.savefig('{}.eps'.format(name),dpi=600,format='eps') def plot_tSNE_batchclusters(df_tSNE1,df_tSNE2,labels1,labels2,cluster_colors=None,s=0.8,save=False,name=None): fig,ax=plt.subplots(figsize=(4, 4)) ax.scatter(df_tSNE2.loc['tSNE1'], df_tSNE2.loc['tSNE2'],s=s,alpha=0.8,lw=0,c='#D3D3D3') ax.scatter(df_tSNE1.loc['tSNE1'], df_tSNE1.loc['tSNE2'],s=s,alpha=0.8,lw=0,c=[cluster_colors[1] for i in labels1]) ax.axis('equal') ax.set_axis_off() if save==True: plt.savefig('{}.eps'.format(name),dpi=600,format='eps') def plot_tSNE_sepclusters(df_tSNE1,df_tSNE2,labels1,labels2,cluster_colors=None,s=0.8,save=False,name=None): fig,ax=plt.subplots(figsize=(4, 4)) ax.scatter(df_tSNE2.loc['tSNE1'], df_tSNE2.loc['tSNE2'],s=s,alpha=0.8,lw=0,c='#D3D3D3') ax.scatter(df_tSNE1.loc['tSNE1'], df_tSNE1.loc['tSNE2'],s=s,alpha=0.8,lw=0,c=[cluster_colors[i] for i in labels1]) ax.axis('equal') ax.set_axis_off() if save==True: plt.savefig('{}.eps'.format(name),dpi=600,format='eps') def plot_tSNE_cluster(df_tSNE,labels,cluster_colors=None,s=6,save=False,name=None): index=[[] for i in range(np.max(labels)+1)] for i in range(len(labels)): index[int(labels[i])].append(i) index=[i for i in index if i!=[]] for i in range(len(np.unique(labels))): color=np.array(labels)[index[i]][0] fig,ax=plt.subplots() ax.scatter(df_tSNE.loc['tSNE1'], df_tSNE.loc['tSNE2'],c='#D3D3D3',s=s,lw=0) ax.scatter(df_tSNE.loc['tSNE1'].iloc[index[i]],df_tSNE.loc['tSNE2'].iloc[index[i]],c=[cluster_colors[k] for k in np.array(labels)[index[i]]],s=s,lw=0) ax.axis('equal') ax.set_axis_off() if save == True: plt.savefig('{}.eps'.format(name+str(color)), dpi=600,format='eps') def gen_labels(df, model): if str(type(model)).startswith("<class 'sklearn.cluster"): cell_labels = dict(zip(df.columns, model.labels_)) label_cells = {} for l in np.unique(model.labels_): label_cells[l] = [] for i, label in enumerate(model.labels_): label_cells[label].append(df.columns[i]) cellID = list(df.columns) labels = list(model.labels_) labels_a = model.labels_ elif type(model) == np.ndarray: cell_labels = dict(zip(df.columns, model)) label_cells = {} for l in np.unique(model): label_cells[l] = [] for i, label in enumerate(model): label_cells[label].append(df.columns[i]) cellID = list(df.columns) labels = list(model) labels_a = model else: print('Error wrong input type') return cell_labels, label_cells, cellID, labels, labels_a def heatmap(correlation_recluster_cell_final,choose_seriestype1,choose_seriestype2,save=False,name=''): df=pd.DataFrame(correlation_recluster_cell_final) labels1=np.array(choose_seriestype1) labels2=np.array(choose_seriestype2) cell_labels1,label_cells1,cellID1,labels1,labels_a1=gen_labels(df.T,np.array(labels1)) cell_labels2,label_cells2,cellID2,labels2,labels_a2=gen_labels(df,np.array(labels2)) optimal_order=np.unique(np.concatenate([labels1,labels2])) cl,lc=gen_labels(df,np.array(labels2))[:2] optimal_sort_cells=sum([lc[i] for i in np.unique(labels2)],[]) optimal_sort_labels=[cl[i] for i in optimal_sort_cells] fig,axHM=plt.subplots(figsize=(9,5)) df_full=df.copy() z=df_full.values z=pd.DataFrame(z, index=df_full.index,columns=df_full.columns) z=z.loc[:,optimal_sort_cells].values im=axHM.pcolormesh(z,cmap='viridis',vmax=1) plt.gca().invert_yaxis() plt.xlim(xmax=len(labels2)) plt.xticks([]) plt.yticks([]) divider=make_axes_locatable(axHM) axLabel1=divider.append_axes("top",.3,pad=0,sharex=axHM) axLabel2=divider.append_axes("left",.3,pad=0,sharex=axHM) counter2=Counter(labels2) counter1=Counter(labels1) pos2=0 pos1=0 for l in optimal_order: axLabel1.barh(y=0,left=pos2,width=counter2[l],color=cluster_colors[l],linewidth=0.5,edgecolor=cluster_colors[l]) pos2+=counter2[l] optimal_order=np.flipud(optimal_order) for l in optimal_order: axLabel2.bar(x=0,bottom=pos1,height=counter1[l],color=cluster_colors[l],linewidth=50,edgecolor=cluster_colors[l]) pos1+=counter1[l] axLabel1.set_xlim(xmax=len(labels2)) axLabel1.axis('off') axLabel2.set_ylim(ymax=len(labels1)) axLabel2.axis('off') cax=fig.add_axes([.91,0.13,0.01,0.22]) colorbar=fig.colorbar(im,cax=cax,ticks=[0,1]) colorbar.set_ticklabels(['0','max']) plt.savefig('{}.jpg'.format(name),dpi=600,format='jpg')
7,512
33.782407
158
py
CBA
CBA-main/lung/lung_main.py
""" Created on Fri Mar 27 18:58:59 2020 @author: 17b90 """ import kBET import scipy import random import keras as K import numpy as np import pandas as pd import scanpy as sc import seaborn as sns import scipy.io as sio import tensorflow as tf from keras import layers from ywb_function import * import sklearn.metrics as sm from collections import Counter import matplotlib.pyplot as plt from keras.regularizers import l2 from sklearn import preprocessing from keras.layers.core import Lambda from keras.callbacks import TensorBoard from imblearn.over_sampling import SMOTE,ADASYN from keras.callbacks import LearningRateScheduler from sklearn.cluster import AgglomerativeClustering from sklearn.model_selection import train_test_split from imblearn.over_sampling import RandomOverSampler from mpl_toolkits.axes_grid1 import make_axes_locatable from scipy.cluster.hierarchy import dendrogram, linkage we_use=[1] RAWseries1=pd.read_csv('RAWlung_'+str(we_use[0])+'.csv',header=None)[1:].values.astype('single') choose_seriestype1=pd.read_csv('reallung_'+str(we_use[0])+'.csv',header=None)[1:].values row1=pd.read_csv('rowgenelung_'+str(we_use[0])+'.csv',header=None)[1:].values csv_data=pd.read_csv("Lung-countsFACS.csv",header=None) cellname=csv_data.iloc[0][1:] csv_data=csv_data[1:] csv_df=pd.DataFrame(csv_data) row2=csv_df[0].values RAWseries2=csv_df.drop(labels=0,axis=1).values.astype('int') batch2dict=pd.read_csv('annotations_FACS.csv',header=None)[1:] dictbatch=pd.DataFrame(batch2dict[2].values,index=batch2dict[0].values) choose_seriestype2=[] for i in cellname: if i in batch2dict[0].values: choose_seriestype2.append(dictbatch.loc[i][0]) else: choose_seriestype2.append('0') choose_seriestype2=np.array(choose_seriestype2) choose_seriestype2=np.reshape(choose_seriestype2,[choose_seriestype2.shape[0],1]) cob_gene=[] for i in row1: if i in row2: cob_gene.append(i) line1=np.zeros(len(cob_gene)) line2=np.zeros(len(cob_gene)) index=0 for i in cob_gene: line1[index]=np.where(row1==i[0])[0][0] line2[index]=np.where(row2==i[0])[0][0] index+=1 RAWseries1=RAWseries1[line1.astype('int'),:] RAWseries2=RAWseries2[line2.astype('int'),:] fromname='lung'+str(we_use[0]) Alldata=np.concatenate([RAWseries1.T,RAWseries2.T]) Alllabel=np.concatenate([choose_seriestype1,choose_seriestype2]) Allbatch=np.concatenate([np.zeros(choose_seriestype1.shape[0]),np.zeros(choose_seriestype2.shape[0])+1]) for i in np.unique(Alllabel): print(i,(choose_seriestype1==i).sum(),(choose_seriestype2==i).sum()) chosen_cluster=['269', '268', '275', '277', '265', '287', '266', '273', '282', 'B cell', 'T cell', 'dendritic cell', 'endothelial cell', 'stromal cell' ] chosen_index=np.arange(Alllabel.shape[0]) for i in range(Alllabel.shape[0]): if Alllabel[i] in chosen_cluster: chosen_index[i]=1 else: chosen_index[i]=0 Alldata=Alldata[chosen_index==1,:] Allbatch=Allbatch[chosen_index==1] Alllabel=Alllabel[chosen_index==1] ############################################################################### Numlabel=np.zeros(Alllabel.shape[0]) cluster_index2={'269':0, '268':1, '275':2, '277':3, '265':3, '287':3, '266':4, '273':4, '282':4, 'B cell':0, 'T cell':1, 'dendritic cell':2, 'endothelial cell':3, 'stromal cell':4 } for i in range(Alllabel.shape[0]): Numlabel[i]=cluster_index2[Alllabel[i][0]] ############################################################################### choose_seriestype1=Numlabel[Allbatch==0][Numlabel[Allbatch==0].argsort()].astype('int') choose_seriestype2=Numlabel[Allbatch==1][Numlabel[Allbatch==1].argsort()].astype('int') ############################################################################### min_cells=100 pca_dim=15 minnumberofcluster=10000000000 clusternumber=1 ############################################################################### anndata=sc.AnnData(pd.DataFrame(Alldata)) sc.pp.filter_genes(anndata,min_cells=min_cells) sc.pp.normalize_per_cell(anndata,counts_per_cell_after=1e4) sc.pp.log1p(anndata) sc.pp.highly_variable_genes(anndata) sc.pl.highly_variable_genes(anndata) anndata=anndata[:,anndata.var['highly_variable']] sc.pl.highest_expr_genes(anndata,n_top=20) sc.tl.pca(anndata,n_comps=100,svd_solver='arpack') sc.pl.pca(anndata) sc.pl.pca_variance_ratio(anndata,log=True,n_pcs=100,save=[True,'pancreas']) Alldata_aft=anndata.obsm['X_pca'][:,0:pca_dim] Alldata_aft=preprocessing.StandardScaler().fit_transform(Alldata_aft) Alldata_aft=preprocessing.MinMaxScaler().fit_transform(Alldata_aft) PCAseries1=Alldata_aft[Allbatch==0,:][Numlabel[Allbatch==0].argsort()] PCAseries2=Alldata_aft[Allbatch==1,:][Numlabel[Allbatch==1].argsort()] choose_seriestype1=Numlabel[Allbatch==0][Numlabel[Allbatch==0].argsort()].astype('int') choose_seriestype2=Numlabel[Allbatch==1][Numlabel[Allbatch==1].argsort()].astype('int') ############################################################################### cluster_series1=sc.AnnData(PCAseries1) cluster_series2=sc.AnnData(PCAseries2) sc.pp.neighbors(cluster_series1,n_pcs=0) sc.pp.neighbors(cluster_series2,n_pcs=0) sc.tl.umap(cluster_series1) sc.tl.umap(cluster_series2) sc.tl.louvain(cluster_series1,resolution=0.5) sc.pl.umap(cluster_series1,color='louvain',size=30) sc.tl.louvain(cluster_series2,resolution=0.5) sc.pl.umap(cluster_series2,color='louvain',size=30) cluster1=np.array(list(map(int,cluster_series1.obs['louvain']))) cluster2=np.array(list(map(int,cluster_series2.obs['louvain']))) ############################################################################### recluster1=np.zeros(cluster1.shape[0]) recluster2=np.zeros(cluster2.shape[0]) palsecluster1=cluster1 count_cluster1=pd.value_counts(cluster_series1.obs['louvain']) for i in range(1000000000000000): if count_cluster1.max()<minnumberofcluster: break else: print(count_cluster1.max()) recluster1=np.zeros(cluster1.shape[0]) recluster1_number=0 for i in np.unique(palsecluster1): index=palsecluster1==i if index.sum()<minnumberofcluster: thisrecluster=np.zeros(index.sum()) recluster1[index]=thisrecluster+recluster1_number recluster1_number=len(np.unique(recluster1)) else: data=PCAseries1[index] anndata=sc.AnnData(data) sc.pp.neighbors(anndata,n_pcs=0) sc.tl.louvain(anndata) thisrecluster=np.array(list(map(int,anndata.obs['louvain']))) recluster1[index]=thisrecluster+recluster1_number recluster1_number=len(np.unique(recluster1)) palsecluster1=recluster1.astype('int') count_cluster1=pd.value_counts(palsecluster1) palsecluster2=cluster2 count_cluster2=pd.value_counts(cluster_series2.obs['louvain']) for i in range(1000000000000000): if count_cluster2.max()<minnumberofcluster: break else: print(count_cluster2.max()) recluster2=np.zeros(cluster2.shape[0]) recluster2_number=0 for i in np.unique(palsecluster2): index=palsecluster2==i if index.sum()<minnumberofcluster: thisrecluster=np.zeros(index.sum()) recluster2[index]=thisrecluster+recluster2_number recluster2_number=len(np.unique(recluster2)) else: data=PCAseries2[index] anndata=sc.AnnData(data) sc.pp.neighbors(anndata,n_pcs=0) sc.tl.louvain(anndata) thisrecluster=np.array(list(map(int,anndata.obs['louvain']))) recluster2[index]=thisrecluster+recluster2_number recluster2_number=len(np.unique(recluster2)) palsecluster2=recluster2.astype('int') count_cluster2=pd.value_counts(palsecluster2) recluster1=palsecluster1 recluster2=palsecluster2 ############################################################################### series1=sc.AnnData(PCAseries1) series2=sc.AnnData(PCAseries2) sc.pp.neighbors(series1,n_pcs=0) sc.pp.neighbors(series2,n_pcs=0) sc.tl.umap(series1) sc.tl.umap(series2) df1=pd.DataFrame(choose_seriestype1) df1=pd.Series(np.reshape(df1.values,df1.values.shape[0]), dtype="category") series1.obs['real']=df1.values df2=pd.DataFrame(choose_seriestype2) df2=pd.Series(np.reshape(df2.values,df2.values.shape[0]), dtype="category") series2.obs['real']=df2.values sc.pl.umap(series1,color='real',size=30) sc.pl.umap(series2,color='real',size=30) df1=pd.DataFrame(recluster1.astype('int')) df1=pd.Series(np.reshape(df1.values,df1.values.shape[0]), dtype="category") series1.obs['recluster']=df1.values df2=pd.DataFrame(recluster2.astype('int')) df2=pd.Series(np.reshape(df2.values,df2.values.shape[0]), dtype="category") series2.obs['recluster']=df2.values sc.pl.umap(series1,color='recluster',size=30) sc.pl.umap(series2,color='recluster',size=30) ############################################################################### def dis(P,Q,distance_method): if distance_method==0: return np.sqrt(np.sum(np.square(P-Q))) if distance_method==1: return 1-(np.multiply(P,Q).sum()/(np.sqrt(np.sum(np.square(P)))*np.sqrt(np.sum(np.square(Q))))) ############################################################################### if len(np.unique(recluster1))<=len(np.unique(recluster2)): a=PCAseries1 PCAseries1=PCAseries2 PCAseries2=a b=choose_seriestype1 choose_seriestype1=choose_seriestype2 choose_seriestype2=b c=cluster1 cluster1=cluster2 cluster2=c d=recluster1 recluster1=recluster2 recluster2=d ############################################################################### correlation_recluster=np.zeros([len(np.unique(recluster1)),len(np.unique(recluster2))]) correlation_recluster_cell=np.zeros([recluster1.shape[0],recluster2.shape[0]]) for i in range(len(np.unique(recluster1))): for j in range(len(np.unique(recluster2))): print(i,j) index_series1=np.where(recluster1==i)[0] index_series2=np.where(recluster2==j)[0] cell_series1=PCAseries1[index_series1,:] cell_series2=PCAseries2[index_series2,:] mean1=0 for iq in range(cell_series1.shape[0]): for jq in range(cell_series2.shape[0]): mean1+=dis(cell_series1[iq,:],cell_series2[jq,:],1) correlation_recluster[i,j]=mean1/(cell_series1.shape[0]*cell_series2.shape[0]) for ii in range(cell_series1.shape[0]): for jj in range(cell_series2.shape[0]): mean2=dis(cell_series1[ii,:],cell_series2[jj,:],0) correlation_recluster_cell[index_series1[ii],index_series2[jj]]=mean2 plt.imshow(correlation_recluster) plt.imshow(correlation_recluster_cell) correlation_recluster_div=-np.log10(correlation_recluster) correlation_recluster_cell_div=-np.log10(correlation_recluster_cell) correlation_recluster_norm=(correlation_recluster_div-correlation_recluster_div.min())/(correlation_recluster_div.max()-correlation_recluster_div.min()) correlation_recluster_cell_norm=(correlation_recluster_cell_div-correlation_recluster_cell_div.min())/(correlation_recluster_cell_div.max()-correlation_recluster_cell_div.min()) plt.imshow(correlation_recluster_norm) plt.imshow(correlation_recluster_cell_norm) ############################################################################### correlation_recluster_select=np.zeros(correlation_recluster_norm.shape) recluster_mid=np.zeros(recluster1.shape) for kk in range(correlation_recluster_norm.shape[0]): ind=np.sort(correlation_recluster_norm[kk,:]) select=correlation_recluster_norm[kk,:]<ind[-clusternumber] select=(select==False) recluster_mid[recluster1==kk]+=int(np.where(select==True)[0]) correlation_recluster_select[kk,:]=correlation_recluster_norm[kk,:]*select plt.imshow(correlation_recluster_select) correlation_recluster_cell_final=correlation_recluster_cell*0 for i in range(correlation_recluster_cell_norm.shape[0]): for j in range(correlation_recluster_cell_norm.shape[1]): label1=recluster1[i] label2=recluster2[j] mean1=correlation_recluster_select[label1,label2] mean2=correlation_recluster_cell_norm[i,j] if mean1==0: correlation_recluster_cell_final[i,j]=0 else: correlation_recluster_cell_final[i,j]=mean2 plt.imshow(correlation_recluster_select) plt.imshow(correlation_recluster_cell_final) recluster1=recluster_mid.astype('int') sort_correlation_recluster_cell_final=correlation_recluster_cell_final[recluster1.argsort(),:] sort_correlation_recluster_cell_final=sort_correlation_recluster_cell_final[:,recluster2.argsort()] ############################################################################### heatmap(correlation_recluster_cell_final,choose_seriestype1,choose_seriestype2,save=False,name='pancreasmatrix') ################################################################################ x_input1=np.zeros([PCAseries1.shape[0],PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]+recluster2.max()+1]) x_input2=np.zeros([PCAseries2.shape[0],PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]+recluster2.max()+1]) for i in range(PCAseries1.shape[0]): print(i) x_input1[i,0:PCAseries1.shape[1]]=PCAseries1[i,:] x_input1[i,PCAseries1.shape[1]:PCAseries1.shape[1]+PCAseries1.shape[0]]=K.utils.np_utils.to_categorical(i,PCAseries1.shape[0]) x_input1[i,PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]=correlation_recluster_cell_final[i,:] x_input1[i,PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]:]=K.utils.np_utils.to_categorical(recluster1[i],recluster2.max()+1) for j in range(PCAseries2.shape[0]): print(j) x_input2[j,0:PCAseries2.shape[1]]=PCAseries2[j,:] x_input2[j,PCAseries2.shape[1]:PCAseries2.shape[1]+PCAseries2.shape[0]]=K.utils.np_utils.to_categorical(j,PCAseries2.shape[0]) x_input2[j,PCAseries2.shape[1]+PCAseries2.shape[0]:PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]]=correlation_recluster_cell_final[:,j] x_input2[j,PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]:]=K.utils.np_utils.to_categorical(recluster2[j],recluster2.max()+1) ############################################################################### x_input1_new=x_input1 recluster1_new=recluster1 x_input2_new=x_input2 recluster2_new=recluster2 ############################################################################### if x_input1_new.shape[0]>=x_input2_new.shape[0]: x_test1=x_input1_new y_test1=recluster1_new y_testreal1=choose_seriestype1 repeat_num=int(np.ceil(x_input1_new.shape[0]/x_input2_new.shape[0])) x_test2=np.tile(x_input2_new,(repeat_num,1)) y_test2=np.tile(recluster2_new,repeat_num) y_testreal2=np.tile(choose_seriestype2,repeat_num) x_test2=x_test2[0:x_test1.shape[0],:] y_test2=y_test2[0:x_test1.shape[0]] y_testreal2=y_testreal2[0:x_test1.shape[0]] elif x_input1_new.shape[0]<x_input2_new.shape[0]: x_test2=x_input2_new y_test2=recluster2_new y_testreal2=choose_seriestype2 repeat_num=int(np.ceil(x_input2_new.shape[0]/x_input1_new.shape[0])) x_test1=np.tile(x_input1_new,(repeat_num,1)) y_test1=np.tile(recluster1_new,repeat_num) y_testreal1=np.tile(choose_seriestype1,repeat_num) x_test1=x_test1[0:x_test2.shape[0],:] y_test1=y_test1[0:x_test2.shape[0]] y_testreal1=y_testreal1[0:x_test2.shape[0]] ############################################################################### def choose_info(x,info_number): return x[:,0:info_number] def choose_index(x,info_number,x_samplenumber): return x[:,info_number:info_number+x_samplenumber] def choose_corrlation(x,info_number,x_samplenumber,cor_number): return x[:,info_number+x_samplenumber:info_number+x_samplenumber+cor_number] def choose_relabel(x,info_number,x_samplenumber,cor_number): return x[:,info_number+x_samplenumber+cor_number:] def slic(input_): return input_[:,0] ############################################################################### activation='relu' info_number=PCAseries1.shape[1] layer=PCAseries1.shape[1] layer2=layer input1=K.Input(shape=(x_test1.shape[1],))#line1 species1 input2=K.Input(shape=(x_test2.shape[1],))#line1 species2 input3=K.Input(shape=(x_test1.shape[1],))#line2 species1 input4=K.Input(shape=(x_test2.shape[1],))#line2 species2 Data1=Lambda(choose_info,arguments={'info_number':info_number})(input1) Data2=Lambda(choose_info,arguments={'info_number':info_number})(input2) Data3=Lambda(choose_info,arguments={'info_number':info_number})(input3) Data4=Lambda(choose_info,arguments={'info_number':info_number})(input4) Index1=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0]})(input1) Index2=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0]})(input2) Index3=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0]})(input3) Index4=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0]})(input4) Cor1=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input1) Cor2=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input2) Cor3=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input3) Cor4=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input4) Relabel1=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input1) Relabel2=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input2) Relabel3=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input3) Relabel4=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input4) x_concat1=layers.concatenate([Data1,Data3])#batch1 x_concat2=layers.concatenate([Data2,Data4])#batch2 x1=layers.Dense(layer2,activation=activation)(Data1) x2=layers.Dense(layer2,activation=activation)(Data2) x3=layers.Dense(layer2,activation=activation)(Data3) x4=layers.Dense(layer2,activation=activation)(Data4) x1=layers.BatchNormalization()(x1) x2=layers.BatchNormalization()(x2) x3=layers.BatchNormalization()(x3) x4=layers.BatchNormalization()(x4) x1_mid1=layers.Dense(layer2,activation=activation)(layers.concatenate([x1,x2])) x2_mid1=layers.Dense(layer2,activation=activation)(layers.concatenate([x1,x2])) x1_mid2=layers.Dense(layer2,activation=activation)(layers.concatenate([x3,x4])) x2_mid2=layers.Dense(layer2,activation=activation)(layers.concatenate([x3,x4])) x1_mid1=layers.BatchNormalization()(x1_mid1) x2_mid1=layers.BatchNormalization()(x2_mid1) x1_mid2=layers.BatchNormalization()(x1_mid2) x2_mid2=layers.BatchNormalization()(x2_mid2) layer_classify=layers.Dense(recluster2_new.max()+1,activation='relu') y1=layer_classify(x1_mid1) y2=layer_classify(x2_mid1) y3=layer_classify(x1_mid2) y4=layer_classify(x2_mid2) x1=layers.concatenate([x1_mid1,x1_mid2])#batch1 x2=layers.concatenate([x2_mid1,x2_mid2])#batch2 output1=layers.Dense(2*layer,activation=activation)(x1) output2=layers.Dense(2*layer,activation=activation)(x2) output1=layers.BatchNormalization()(output1) output2=layers.BatchNormalization()(output2) def loss_weight(input_): return tf.reduce_sum(tf.multiply(input_[0],input_[1]),axis=-1) def MSE(input_): return tf.reduce_mean(tf.square(input_[0]-input_[1]),axis=-1) def multi_classification_loss(input_): return tf.keras.losses.categorical_crossentropy(input_[0],input_[1]) #loss1 AE_loss_1=Lambda(MSE)([output1,x_concat1]) AE_loss_2=Lambda(MSE)([output2,x_concat2]) #loss2 cls_loss_1=Lambda(MSE)([y1,Relabel1]) cls_loss_2=Lambda(MSE)([y2,Relabel2]) cls_loss_3=Lambda(MSE)([y3,Relabel3]) cls_loss_4=Lambda(MSE)([y4,Relabel4]) #loss3 interweight1=Lambda(loss_weight)([Index1,Cor2]) interweight4=Lambda(loss_weight)([Index3,Cor4]) interloss_1=Lambda(MSE)([x1_mid1,x2_mid1]) interloss_4=Lambda(MSE)([x1_mid2,x2_mid2]) interloss_1=layers.Multiply()([interweight1,interloss_1]) interloss_4=layers.Multiply()([interweight4,interloss_4]) #loss4 intraweight1=Lambda(loss_weight)([Relabel1,Relabel3]) intraweight2=Lambda(loss_weight)([Relabel2,Relabel4]) intraloss_1=Lambda(MSE)([x1_mid1,x1_mid2]) intraloss_2=Lambda(MSE)([x2_mid1,x2_mid2]) intraloss_1=layers.Multiply()([intraweight1,intraloss_1]) intraloss_2=layers.Multiply()([intraweight2,intraloss_2]) Loss1=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss1')([AE_loss_1,AE_loss_2]) Loss2=Lambda(lambda x:(x[0]*1+x[1]*1+x[2]*1+x[3]*1)/4,name='loss2')([cls_loss_1,cls_loss_2,cls_loss_3,cls_loss_4]) Loss3=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss3')([interloss_1,interloss_4]) Loss4=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss4')([intraloss_1,intraloss_2]) ############################################################################### network_train=K.models.Model([input1,input2,input3,input4], [Loss1,Loss2,Loss3,Loss4]) network_train.summary() ############################################################################### intra_data1={} inter_data1={} for i in range(x_test1.shape[0]): label_i=y_test1[i] intra_data1[i]=np.where(y_test1==label_i) inter_data1[i]=np.where(y_test1!=label_i) intra_data2={} inter_data2={} for i in range(x_test2.shape[0]): label_i=y_test2[i] intra_data2[i]=np.where(y_test2==label_i) inter_data2[i]=np.where(y_test2!=label_i) ############################################################################### batch_size=128 train_loss=[] loss1=[] loss2=[] loss3=[] loss4=[] ############################################################################### iterations=1000000000 lr=1e-3 optimizer=K.optimizers.Adam(lr=lr) loss_weights=[1,1,1,1] network_train.compile(optimizer=optimizer, loss=[lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred], loss_weights=loss_weights) for i in range(iterations): x_input1_series1_train=np.zeros(x_test1.shape) index0=np.zeros(x_input1_series1_train.shape[0]) x_input1_series2_train=np.zeros(x_test2.shape) index1=np.zeros(x_input1_series2_train.shape[0]) x_input2_series1_train=np.zeros(x_test1.shape) index2=np.zeros(x_input2_series1_train.shape[0]) x_input2_series2_train=np.zeros(x_test2.shape) index3=np.zeros(x_input2_series2_train.shape[0]) for ii in range(x_test1.shape[0]): index0[ii]=random.choice(range(x_test1.shape[0])) rand1=random.random() in_rand1=np.where(x_test1[ii,:][PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]>0)[0] out_rand1=np.where(x_test1[ii,:][PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]<=0)[0] if rand1>=0.5: index1[ii]=random.choice(in_rand1) elif rand1<0.5: index1[ii]=random.choice(out_rand1) rand2=random.random() if rand2>=0.5: index2[ii]=random.choice(intra_data1[index0[ii]][0]) elif rand2<0.5: index2[ii]=random.choice(inter_data1[index0[ii]][0]) rand3=random.random() if rand3>=0.5: index3[ii]=random.choice(intra_data2[index1[ii]][0]) elif rand3<0.5: index3[ii]=random.choice(inter_data2[index1[ii]][0]) train1=x_test1[index0.astype('int'),:] train2=x_test2[index1.astype('int'),:] train3=x_test1[index2.astype('int'),:] train4=x_test2[index3.astype('int'),:] Train=network_train.fit([train1,train2,train3,train4], [np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1])], batch_size=batch_size,shuffle=True) train_loss.append(Train.history['loss'][:][0]) loss1.append(Train.history['loss1_loss'][:][0]*loss_weights[0]) loss2.append(Train.history['loss2_loss'][:][0]*loss_weights[1]) loss3.append(Train.history['loss3_loss'][:][0]*loss_weights[2]) loss4.append(Train.history['loss4_loss'][:][0]*loss_weights[3]) print(i,'loss=', Train.history['loss'][:][0], Train.history['loss1_loss'][:][0]*loss_weights[0], Train.history['loss2_loss'][:][0]*loss_weights[1], Train.history['loss3_loss'][:][0]*loss_weights[2], Train.history['loss4_loss'][:][0]*loss_weights[3]) if i>100: plt.plot(train_loss[:]) plt.plot(loss1[:]) plt.plot(loss2[:]) plt.plot(loss3[:]) plt.plot(loss4[:]) plt.title('Model loss') plt.ylabel('Loss') plt.ylim(0,max(max(train_loss[i-100:],loss1[i-100:],loss2[i-100:],loss3[i-100:],loss4[i-100:]))) plt.xlim(i-100,i) plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() plt.plot(train_loss[:]) plt.plot(loss1[:]) plt.plot(loss2[:]) plt.plot(loss3[:]) plt.plot(loss4[:]) plt.title('Model loss') plt.ylabel('Loss') plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() else: plt.plot(train_loss[100:]) plt.plot(loss1[100:]) plt.plot(loss2[100:]) plt.plot(loss3[100:]) plt.plot(loss4[100:]) plt.title('Model loss') plt.ylabel('Loss') plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() ############################################################################### network_train.load_weights('lungweight.h5') network_predict=K.models.Model([input1,input2,input3,input4], [x1_mid1,x2_mid1,x1_mid2,x2_mid2]) [low_dim1,low_dim2,low_dim3,low_dim4]=network_predict.predict([x_test1,x_test2,x_test1,x_test2]) low_dim1=low_dim1[0:x_input1.shape[0]] low_dim2=low_dim2[0:x_input2.shape[0]] low_dim3=low_dim3[0:x_input1.shape[0]] low_dim4=low_dim4[0:x_input2.shape[0]] y_real_no1=y_testreal1[0:x_input1.shape[0]] y_recluster_no1=recluster1[0:x_input1.shape[0]] y_real_no2=y_testreal2[0:x_input2.shape[0]] y_recluster_no2=recluster2[0:x_input2.shape[0]] total_real_type=np.concatenate([y_real_no1,y_real_no2]) total_recluster_type=np.concatenate([y_recluster_no1,y_recluster_no2]) ############################################################################### series1=sc.AnnData(low_dim1) series2=sc.AnnData(low_dim2) mergedata=series1.concatenate(series2) mergedata.obsm['NN']=mergedata.X sc.pp.neighbors(mergedata,n_pcs=0) sc.tl.louvain(mergedata) sc.tl.leiden(mergedata) sc.tl.umap(mergedata) df=pd.DataFrame(total_real_type.astype('int')) df=pd.Series(np.reshape(df.values,df.values.shape[0]), dtype="category") mergedata.obs['real']=df.values sc.pl.umap(mergedata,color='louvain',size=30) sc.pl.umap(mergedata,color='leiden',size=30) sc.pl.umap(mergedata,color='batch',size=30) sc.pl.umap(mergedata,color='real',size=30) type_louvain=mergedata.obs['louvain'] type_leiden=mergedata.obs['leiden'] type_batch=mergedata.obs['batch'] type_real=mergedata.obs['real'] ############################################################################### umapdata=pd.DataFrame(mergedata.obsm['X_umap'].T,index=['tSNE1','tSNE2']) umapdata1=pd.DataFrame(mergedata.obsm['X_umap'][0:PCAseries1.shape[0],:].T,index=['tSNE1','tSNE2']) umapdata2=pd.DataFrame(mergedata.obsm['X_umap'][PCAseries1.shape[0]:,:].T,index=['tSNE1','tSNE2']) ############################################################################### plot_tSNE_batchclusters(umapdata1,umapdata2,choose_seriestype1,choose_seriestype2,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'batch1') plot_tSNE_batchclusters(umapdata2,umapdata1,choose_seriestype2,choose_seriestype1,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'batch2') plot_tSNE_clusters(umapdata,list(map(int,type_batch)), cluster_colors=cluster_colors,save=False,name=fromname+'batch') plot_tSNE_sepclusters(umapdata1,umapdata2,choose_seriestype1,choose_seriestype2,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'label1') plot_tSNE_sepclusters(umapdata2,umapdata1,choose_seriestype2,choose_seriestype1,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'label2') plot_tSNE_clusters(umapdata,list(map(int,type_real)), cluster_colors=cluster_colors,save=False, name=fromname+'label') #sio.savemat('lung_ourdata.mat',{'mergedata':mergedata.X,'umapdata':umapdata.values})
29,860
43.702096
177
py
CBA
CBA-main/pancreas/ywb_function.py
import scipy import random import keras as K import numpy as np import pandas as pd import scanpy as sc import seaborn as sns import scipy.io as sio import tensorflow as tf from keras import layers from ywb_function import * from collections import Counter import matplotlib.pyplot as plt from keras.regularizers import l2 from sklearn import preprocessing from keras.layers.core import Lambda from keras.callbacks import TensorBoard from keras.callbacks import LearningRateScheduler from sklearn.cluster import AgglomerativeClustering from sklearn.model_selection import train_test_split from imblearn.over_sampling import RandomOverSampler from mpl_toolkits.axes_grid1 import make_axes_locatable def color(value): digit = list(map(str, range(10))) + list("ABCDEF") if isinstance(value, tuple): string = '#' for i in value: a1 = i // 16 a2 = i % 16 string += digit[a1] + digit[a2] return string elif isinstance(value, str): a1 = digit.index(value[1]) * 16 + digit.index(value[2]) a2 = digit.index(value[3]) * 16 + digit.index(value[4]) a3 = digit.index(value[5]) * 16 + digit.index(value[6]) return (a1, a2, a3) cluster_colors=[ color((213,94,0)), color((0,114,178)), color((204,121,167)), color((0,158,115)), color((86,180,233)), color((230,159,0)), color((240,228,66)), color((0,0,0)), '#D3D3D3', '#FF00FF', '#aec470', '#b3ee3d', '#de4726', '#f69149', '#f81919', '#ff49b0', '#f05556', '#fadf0b', '#f8c495', '#ffc1c1', '#ffc125', '#ffc0cb', '#ffbbff', '#ffb90f', '#ffb6c1', '#ffb5c5', '#ff83fa', '#ff8c00', '#ff4040', '#ff3030', '#ff34b3', '#00fa9a', '#ca4479', '#eead0e', '#ff1493', '#0ab4e4', '#1e6a87', '#800080', '#00e5ee', '#c71585', '#027fd0', '#004dba', '#0a9fb4', '#004b71', '#285528', '#2f7449', '#21b183', '#3e4198', '#4e14a6', '#5dd73d', '#64a44e', '#6787d6', '#6c6b6b', '#6c6b6b', '#7759a4', '#78edff', '#762a14', '#9805cc', '#9b067d', '#af7efe', '#a7623d'] def plot_tSNE_clusters(df_tSNE,labels,cluster_colors=None,s=6,save=False,name=None): fig,ax=plt.subplots(figsize=(4, 4)) ax.scatter(df_tSNE.loc['tSNE1'], df_tSNE.loc['tSNE2'],s=s,alpha=0.8,lw=0,c=[cluster_colors[i] for i in labels]) ax.axis('equal') ax.set_axis_off() if save==True: plt.savefig('{}.eps'.format(name),dpi=600,format='eps') def plot_tSNE_batchclusters(df_tSNE1,df_tSNE2,labels1,labels2,cluster_colors=None,s=0.8,save=False,name=None): fig,ax=plt.subplots(figsize=(4, 4)) ax.scatter(df_tSNE2.loc['tSNE1'], df_tSNE2.loc['tSNE2'],s=s,alpha=0.8,lw=0,c='#D3D3D3') ax.scatter(df_tSNE1.loc['tSNE1'], df_tSNE1.loc['tSNE2'],s=s,alpha=0.8,lw=0,c=[cluster_colors[1] for i in labels1]) ax.axis('equal') ax.set_axis_off() if save==True: plt.savefig('{}.eps'.format(name),dpi=600,format='eps') def plot_tSNE_sepclusters(df_tSNE1,df_tSNE2,labels1,labels2,cluster_colors=None,s=0.8,save=False,name=None): fig,ax=plt.subplots(figsize=(4, 4)) ax.scatter(df_tSNE2.loc['tSNE1'], df_tSNE2.loc['tSNE2'],s=s,alpha=0.8,lw=0,c='#D3D3D3') ax.scatter(df_tSNE1.loc['tSNE1'], df_tSNE1.loc['tSNE2'],s=s,alpha=0.8,lw=0,c=[cluster_colors[i] for i in labels1]) ax.axis('equal') ax.set_axis_off() if save==True: plt.savefig('{}.eps'.format(name),dpi=600,format='eps') def plot_tSNE_cluster(df_tSNE,labels,cluster_colors=None,s=6,save=False,name=None): index=[[] for i in range(np.max(labels)+1)] for i in range(len(labels)): index[int(labels[i])].append(i) index=[i for i in index if i!=[]] for i in range(len(np.unique(labels))): color=np.array(labels)[index[i]][0] fig,ax=plt.subplots() ax.scatter(df_tSNE.loc['tSNE1'], df_tSNE.loc['tSNE2'],c='#D3D3D3',s=s,lw=0) ax.scatter(df_tSNE.loc['tSNE1'].iloc[index[i]],df_tSNE.loc['tSNE2'].iloc[index[i]],c=[cluster_colors[k] for k in np.array(labels)[index[i]]],s=s,lw=0) ax.axis('equal') ax.set_axis_off() if save == True: plt.savefig('{}.eps'.format(name+str(color)), dpi=600,format='eps') def gen_labels(df, model): if str(type(model)).startswith("<class 'sklearn.cluster"): cell_labels = dict(zip(df.columns, model.labels_)) label_cells = {} for l in np.unique(model.labels_): label_cells[l] = [] for i, label in enumerate(model.labels_): label_cells[label].append(df.columns[i]) cellID = list(df.columns) labels = list(model.labels_) labels_a = model.labels_ elif type(model) == np.ndarray: cell_labels = dict(zip(df.columns, model)) label_cells = {} for l in np.unique(model): label_cells[l] = [] for i, label in enumerate(model): label_cells[label].append(df.columns[i]) cellID = list(df.columns) labels = list(model) labels_a = model else: print('Error wrong input type') return cell_labels, label_cells, cellID, labels, labels_a def heatmap(correlation_recluster_cell_final,choose_seriestype1,choose_seriestype2,save=False,name=''): df=pd.DataFrame(correlation_recluster_cell_final) labels1=np.array(choose_seriestype1) labels2=np.array(choose_seriestype2) cell_labels1,label_cells1,cellID1,labels1,labels_a1=gen_labels(df.T,np.array(labels1)) cell_labels2,label_cells2,cellID2,labels2,labels_a2=gen_labels(df,np.array(labels2)) optimal_order=np.unique(np.concatenate([labels1,labels2])) cl,lc=gen_labels(df,np.array(labels2))[:2] optimal_sort_cells=sum([lc[i] for i in np.unique(labels2)],[]) optimal_sort_labels=[cl[i] for i in optimal_sort_cells] fig,axHM=plt.subplots(figsize=(9,5)) df_full=df.copy() z=df_full.values z=pd.DataFrame(z, index=df_full.index,columns=df_full.columns) z=z.loc[:,optimal_sort_cells].values im=axHM.pcolormesh(z,cmap='viridis',vmax=1) plt.gca().invert_yaxis() plt.xlim(xmax=len(labels2)) plt.xticks([]) plt.yticks([]) divider=make_axes_locatable(axHM) axLabel1=divider.append_axes("top",.3,pad=0,sharex=axHM) axLabel2=divider.append_axes("left",.3,pad=0,sharex=axHM) counter2=Counter(labels2) counter1=Counter(labels1) pos2=0 pos1=0 for l in optimal_order: axLabel1.barh(y=0,left=pos2,width=counter2[l],color=cluster_colors[l],linewidth=0.5,edgecolor=cluster_colors[l]) pos2+=counter2[l] optimal_order=np.flipud(optimal_order) for l in optimal_order: axLabel2.bar(x=0,bottom=pos1,height=counter1[l],color=cluster_colors[l],linewidth=50,edgecolor=cluster_colors[l]) pos1+=counter1[l] axLabel1.set_xlim(xmax=len(labels2)) axLabel1.axis('off') axLabel2.set_ylim(ymax=len(labels1)) axLabel2.axis('off') cax=fig.add_axes([.91,0.13,0.01,0.22]) colorbar=fig.colorbar(im,cax=cax,ticks=[0,1]) colorbar.set_ticklabels(['0','max']) plt.savefig('{}.jpg'.format(name),dpi=600,format='jpg')
7,512
33.782407
158
py
CBA
CBA-main/pancreas/pancreas_main.py
""" Created on Fri Mar 27 18:58:59 2020 @author: 17b90 """ import kBET import scipy import random import keras as K import numpy as np import pandas as pd import scanpy as sc import seaborn as sns import scipy.io as sio import tensorflow as tf from keras import layers from ywb_function import * import sklearn.metrics as sm from collections import Counter import matplotlib.pyplot as plt from keras.regularizers import l2 from sklearn import preprocessing from keras.layers.core import Lambda from keras.callbacks import TensorBoard from imblearn.over_sampling import SMOTE,ADASYN from keras.callbacks import LearningRateScheduler from sklearn.cluster import AgglomerativeClustering from sklearn.model_selection import train_test_split from imblearn.over_sampling import RandomOverSampler from mpl_toolkits.axes_grid1 import make_axes_locatable from scipy.cluster.hierarchy import dendrogram, linkage we_use=[1,2]#we try to integrate pancreas1 and pancreas2 #input the data RAWseries1=pd.read_csv('RAWseries_'+str(we_use[0])+'.csv',header=None)[1:].values.astype('single') RAWseries2=pd.read_csv('RAWseries_'+str(we_use[1])+'.csv',header=None)[1:].values.astype('single') #input the label choose_seriestype1=pd.read_csv('realseries_'+str(we_use[0])+'.csv',header=None)[1:].values choose_seriestype2=pd.read_csv('realseries_'+str(we_use[1])+'.csv',header=None)[1:].values #input the gene name genename=pd.read_csv('pancreas_genename.csv',header=None)[1:][0].values #this is our code name fromname='pancreas'+str(we_use[0])+str(we_use[1]) #we choose some parameters min_cells=50#remove some genes, expressed in less than 50 cells pca_dim=50#the number of PCs, you can choose as you like minnumberofcluster=300#this parameter is used for doing Louvain clustering again #because sometimes obtained clusters by Louvain are quite big, you can do Louvain again for each obtained cluster #no rule, if you think the clusters are big, you can do it, judged by yourself #clusters with more than $minnumberofcluster$ cells will be clustered again to make them smaller #I think this hardly influence the result, just make it beautiful, so you can choose it! clusternumber=1#the number of neighboors when doing the cluster matching, we choose one neighbor, but you can choose more #merge them Alldata=np.concatenate([RAWseries1.T,RAWseries2.T]) Alllabel=np.concatenate([choose_seriestype1,choose_seriestype2]) Allbatch=np.concatenate([np.zeros(choose_seriestype1.shape[0]),np.zeros(choose_seriestype2.shape[0])+1]) ############################################################################### #ok, we select some interesting cell types chosen_cluster=['alpha','beta','ductal','acinar','delta','gamma','endothelial','epsilon'] chosen_index=np.arange(Alllabel.shape[0]) for i in range(Alllabel.shape[0]): if Alllabel[i] in chosen_cluster: chosen_index[i]=1 else: chosen_index[i]=0 Alldata=Alldata[chosen_index==1,:] Allbatch=Allbatch[chosen_index==1] Alllabel=Alllabel[chosen_index==1] ############################################################################### #and them, use numbers to replace the name of cell types Numlabel=np.zeros(Alllabel.shape[0]) cluster_index2={'alpha':0,'beta':1,'ductal':2,'acinar':3,'delta':4,'gamma':5,'endothelial':6,'epsilon':7} for i in range(Alllabel.shape[0]): Numlabel[i]=cluster_index2[Alllabel[i][0]] ############################################################################### #use Scanpy!!! anndata=sc.AnnData(pd.DataFrame(Alldata,columns=genename)) sc.pp.filter_genes(anndata,min_cells=min_cells) sc.pp.normalize_per_cell(anndata,counts_per_cell_after=1e4) sc.pp.log1p(anndata) sc.pp.highly_variable_genes(anndata) sc.pl.highly_variable_genes(anndata) anndata=anndata[:,anndata.var['highly_variable']] sc.pl.highest_expr_genes(anndata,n_top=20) sc.tl.pca(anndata,n_comps=100,svd_solver='arpack') sc.pl.pca(anndata) sc.pl.pca_variance_ratio(anndata,log=True,n_pcs=100,save=[True,'pancreas']) #after prepossessing, we rename these datasets Alldata_aft=anndata.obsm['X_pca'][:,0:pca_dim] #this is for the preparation of deep learning training, the training is hard if you don't do that Alldata_aft=preprocessing.StandardScaler().fit_transform(Alldata_aft) Alldata_aft=preprocessing.MinMaxScaler().fit_transform(Alldata_aft) PCAseries1=Alldata_aft[Allbatch==0,:][Numlabel[Allbatch==0].argsort()] PCAseries2=Alldata_aft[Allbatch==1,:][Numlabel[Allbatch==1].argsort()] choose_seriestype1=Numlabel[Allbatch==0][Numlabel[Allbatch==0].argsort()].astype('int') choose_seriestype2=Numlabel[Allbatch==1][Numlabel[Allbatch==1].argsort()].astype('int') ############################################################################### #do Louvain clustering cluster_series1=sc.AnnData(PCAseries1) cluster_series2=sc.AnnData(PCAseries2) sc.pp.neighbors(cluster_series1,n_pcs=0) sc.pp.neighbors(cluster_series2,n_pcs=0) sc.tl.umap(cluster_series1) sc.tl.umap(cluster_series2) sc.tl.louvain(cluster_series1) sc.tl.louvain(cluster_series2) sc.pl.umap(cluster_series1,color='louvain',size=30) sc.pl.umap(cluster_series2,color='louvain',size=30) cluster1=np.array(list(map(int,cluster_series1.obs['louvain']))) cluster2=np.array(list(map(int,cluster_series2.obs['louvain']))) ############################################################################### #ok, as you like, you can do clustering for each cluster, or not recluster1=np.zeros(cluster1.shape[0]) recluster2=np.zeros(cluster2.shape[0]) palsecluster1=cluster1 count_cluster1=pd.value_counts(cluster_series1.obs['louvain']) for i in range(1000000000000000):#until there are no clusters with more than $minnumberofcluster$ cells if count_cluster1.max()<minnumberofcluster: break else: print(count_cluster1.max()) recluster1=np.zeros(cluster1.shape[0]) recluster1_number=0 for i in np.unique(palsecluster1): index=palsecluster1==i if index.sum()<minnumberofcluster: thisrecluster=np.zeros(index.sum()) recluster1[index]=thisrecluster+recluster1_number recluster1_number=len(np.unique(recluster1)) else: data=PCAseries1[index] anndata=sc.AnnData(data) sc.pp.neighbors(anndata,n_pcs=0) sc.tl.louvain(anndata) thisrecluster=np.array(list(map(int,anndata.obs['louvain']))) recluster1[index]=thisrecluster+recluster1_number recluster1_number=len(np.unique(recluster1)) palsecluster1=recluster1.astype('int') count_cluster1=pd.value_counts(palsecluster1) palsecluster2=cluster2 count_cluster2=pd.value_counts(cluster_series2.obs['louvain']) for i in range(1000000000000000): if count_cluster2.max()<minnumberofcluster: break else: print(count_cluster2.max()) recluster2=np.zeros(cluster2.shape[0]) recluster2_number=0 for i in np.unique(palsecluster2): index=palsecluster2==i if index.sum()<minnumberofcluster: thisrecluster=np.zeros(index.sum()) recluster2[index]=thisrecluster+recluster2_number recluster2_number=len(np.unique(recluster2)) else: data=PCAseries2[index] anndata=sc.AnnData(data) sc.pp.neighbors(anndata,n_pcs=0) sc.tl.louvain(anndata) thisrecluster=np.array(list(map(int,anndata.obs['louvain']))) recluster2[index]=thisrecluster+recluster2_number recluster2_number=len(np.unique(recluster2)) palsecluster2=recluster2.astype('int') count_cluster2=pd.value_counts(palsecluster2) recluster1=palsecluster1 recluster2=palsecluster2 ############################################################################### #show the Louvain results series1=sc.AnnData(PCAseries1) series2=sc.AnnData(PCAseries2) sc.pp.neighbors(series1,n_pcs=0) sc.pp.neighbors(series2,n_pcs=0) sc.tl.umap(series1) sc.tl.umap(series2) df1=pd.DataFrame(choose_seriestype1) df1=pd.Series(np.reshape(df1.values,df1.values.shape[0]), dtype="category") series1.obs['real']=df1.values df2=pd.DataFrame(choose_seriestype2) df2=pd.Series(np.reshape(df2.values,df2.values.shape[0]), dtype="category") series2.obs['real']=df2.values sc.pl.umap(series1,color='real',size=30) sc.pl.umap(series2,color='real',size=30) df1=pd.DataFrame(recluster1.astype('int')) df1=pd.Series(np.reshape(df1.values,df1.values.shape[0]), dtype="category") series1.obs['recluster']=df1.values df2=pd.DataFrame(recluster2.astype('int')) df2=pd.Series(np.reshape(df2.values,df2.values.shape[0]), dtype="category") series2.obs['recluster']=df2.values sc.pl.umap(series1,color='recluster',size=30) sc.pl.umap(series2,color='recluster',size=30) ############################################################################### #this is used to select the metric when selecting neighbor clusters def dis(P,Q,distance_method): if distance_method==0:#euclidean distance return np.sqrt(np.sum(np.square(P-Q))) if distance_method==1:#cos distance return 1-(np.multiply(P,Q).sum()/(np.sqrt(np.sum(np.square(P)))*np.sqrt(np.sum(np.square(Q))))) ############################################################################### #you can choose change their turn or not if len(np.unique(recluster1))>=len(np.unique(recluster2)): a=PCAseries1 PCAseries1=PCAseries2 PCAseries2=a b=choose_seriestype1 choose_seriestype1=choose_seriestype2 choose_seriestype2=b c=cluster1 cluster1=cluster2 cluster2=c d=recluster1 recluster1=recluster2 recluster2=d ############################################################################### #ok, let's calculate the similarity of cells/clusters correlation_recluster=np.zeros([len(np.unique(recluster1)),len(np.unique(recluster2))]) correlation_recluster_cell=np.zeros([recluster1.shape[0],recluster2.shape[0]]) for i in range(len(np.unique(recluster1))): for j in range(len(np.unique(recluster2))): print(i,j) index_series1=np.where(recluster1==i)[0] index_series2=np.where(recluster2==j)[0] cell_series1=PCAseries1[index_series1,:] cell_series2=PCAseries2[index_series2,:] mean1=0 for iq in range(cell_series1.shape[0]): for jq in range(cell_series2.shape[0]): mean1+=dis(cell_series1[iq,:],cell_series2[jq,:],1) correlation_recluster[i,j]=mean1/(cell_series1.shape[0]*cell_series2.shape[0]) for ii in range(cell_series1.shape[0]): for jj in range(cell_series2.shape[0]): mean2=dis(cell_series1[ii,:],cell_series2[jj,:],0) correlation_recluster_cell[index_series1[ii],index_series2[jj]]=mean2 plt.imshow(correlation_recluster) plt.imshow(correlation_recluster_cell) correlation_recluster_div=-np.log10(correlation_recluster) correlation_recluster_cell_div=-np.log10(correlation_recluster_cell) correlation_recluster_norm=(correlation_recluster_div-correlation_recluster_div.min())/(correlation_recluster_div.max()-correlation_recluster_div.min()) correlation_recluster_cell_norm=(correlation_recluster_cell_div-correlation_recluster_cell_div.min())/(correlation_recluster_cell_div.max()-correlation_recluster_cell_div.min()) #show them plt.imshow(correlation_recluster_norm) plt.imshow(correlation_recluster_cell_norm) ############################################################################### #remove bad parts, do the matching correlation_recluster_select=np.zeros(correlation_recluster_norm.shape) recluster_mid=np.zeros(recluster1.shape) for kk in range(correlation_recluster_norm.shape[0]): ind=np.sort(correlation_recluster_norm[kk,:]) select=correlation_recluster_norm[kk,:]<ind[-clusternumber] select=(select==False) recluster_mid[recluster1==kk]+=int(np.where(select==True)[0]) correlation_recluster_select[kk,:]=correlation_recluster_norm[kk,:]*select plt.imshow(correlation_recluster_select) correlation_recluster_cell_final=correlation_recluster_cell*0 for i in range(correlation_recluster_cell_norm.shape[0]): for j in range(correlation_recluster_cell_norm.shape[1]): label1=recluster1[i] label2=recluster2[j] mean1=correlation_recluster_select[label1,label2] mean2=correlation_recluster_cell_norm[i,j] if mean1==0: correlation_recluster_cell_final[i,j]=0 else: correlation_recluster_cell_final[i,j]=mean2 plt.imshow(correlation_recluster_select) plt.imshow(correlation_recluster_cell_final) recluster1=recluster_mid.astype('int') sort_correlation_recluster_cell_final=correlation_recluster_cell_final[recluster1.argsort(),:] sort_correlation_recluster_cell_final=sort_correlation_recluster_cell_final[:,recluster2.argsort()] ############################################################################### #heatmap heatmap(correlation_recluster_cell_final,choose_seriestype1,choose_seriestype2,save=False,name='pancreasmatrix') heatmap(sort_correlation_recluster_cell_final,np.sort(recluster1)+9,np.sort(recluster2)+9,save=False,name='ourpancreasmatrix') ############################################################################### #ok, I use keras, cells in each input are randomly selected, I don't know how to match cells with their similarity #I also don't know how to match the cell part with their distance, so I design the following inputs #It will waste some time, it's not easy and unclear for readers, but it works! x_input1=np.zeros([PCAseries1.shape[0],PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]+recluster2.max()+1]) x_input2=np.zeros([PCAseries2.shape[0],PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]+recluster2.max()+1]) for i in range(PCAseries1.shape[0]): print(i) x_input1[i,0:PCAseries1.shape[1]]=PCAseries1[i,:] x_input1[i,PCAseries1.shape[1]:PCAseries1.shape[1]+PCAseries1.shape[0]]=K.utils.np_utils.to_categorical(i,PCAseries1.shape[0]) x_input1[i,PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]=correlation_recluster_cell_final[i,:] x_input1[i,PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]:]=K.utils.np_utils.to_categorical(recluster1[i],recluster2.max()+1) for j in range(PCAseries2.shape[0]): print(j) x_input2[j,0:PCAseries2.shape[1]]=PCAseries2[j,:] x_input2[j,PCAseries2.shape[1]:PCAseries2.shape[1]+PCAseries2.shape[0]]=K.utils.np_utils.to_categorical(j,PCAseries2.shape[0]) x_input2[j,PCAseries2.shape[1]+PCAseries2.shape[0]:PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]]=correlation_recluster_cell_final[:,j] x_input2[j,PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]:]=K.utils.np_utils.to_categorical(recluster2[j],recluster2.max()+1) ############################################################################### #interesting, I need to make two batches have the same number of cells, so I have to copy cells again and again if x_input1.shape[0]>=x_input2.shape[0]: x_test1=x_input1 y_test1=recluster1 y_testreal1=choose_seriestype1 repeat_num=int(np.ceil(x_input1.shape[0]/x_input2.shape[0])) x_test2=np.tile(x_input2,(repeat_num,1)) y_test2=np.tile(recluster2,repeat_num) y_testreal2=np.tile(choose_seriestype2,repeat_num) x_test2=x_test2[0:x_test1.shape[0],:] y_test2=y_test2[0:x_test1.shape[0]] y_testreal2=y_testreal2[0:x_test1.shape[0]] elif x_input1.shape[0]<x_input2.shape[0]: x_test2=x_input2 y_test2=recluster2 y_testreal2=choose_seriestype2 repeat_num=int(np.ceil(x_input2.shape[0]/x_input1.shape[0])) x_test1=np.tile(x_input1,(repeat_num,1)) y_test1=np.tile(recluster1,repeat_num) y_testreal1=np.tile(choose_seriestype1,repeat_num) x_test1=x_test1[0:x_test2.shape[0],:] y_test1=y_test1[0:x_test2.shape[0]] y_testreal1=y_testreal1[0:x_test2.shape[0]] ############################################################################### def choose_info(x,info_number): return x[:,0:info_number] def choose_index(x,info_number,x_samplenumber): return x[:,info_number:info_number+x_samplenumber] def choose_corrlation(x,info_number,x_samplenumber,cor_number): return x[:,info_number+x_samplenumber:info_number+x_samplenumber+cor_number] def choose_relabel(x,info_number,x_samplenumber,cor_number): return x[:,info_number+x_samplenumber+cor_number:] def slic(input_): return input_[:,0] ############################################################################### activation='relu' info_number=PCAseries1.shape[1] layer=PCAseries1.shape[1] input1=K.Input(shape=(x_test1.shape[1],))#line1 species1 input2=K.Input(shape=(x_test2.shape[1],))#line1 species2 input3=K.Input(shape=(x_test1.shape[1],))#line2 species1 input4=K.Input(shape=(x_test2.shape[1],))#line2 species2 Data1=Lambda(choose_info,arguments={'info_number':info_number})(input1) Data2=Lambda(choose_info,arguments={'info_number':info_number})(input2) Data3=Lambda(choose_info,arguments={'info_number':info_number})(input3) Data4=Lambda(choose_info,arguments={'info_number':info_number})(input4) Index1=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0]})(input1) Index2=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0]})(input2) Index3=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0]})(input3) Index4=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0]})(input4) Cor1=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input1) Cor2=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input2) Cor3=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input3) Cor4=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input4) Relabel1=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input1) Relabel2=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input2) Relabel3=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input3) Relabel4=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input4) x_concat1=layers.concatenate([Data1,Data3])#batch1 x_concat2=layers.concatenate([Data2,Data4])#batch2 x1=layers.Dense(layer,activation=activation)(Data1) x2=layers.Dense(layer,activation=activation)(Data2) x3=layers.Dense(layer,activation=activation)(Data3) x4=layers.Dense(layer,activation=activation)(Data4) x1=layers.BatchNormalization()(x1) x2=layers.BatchNormalization()(x2) x3=layers.BatchNormalization()(x3) x4=layers.BatchNormalization()(x4) x1_mid1=layers.Dense(layer,activation=activation)(layers.concatenate([x1,x2])) x2_mid1=layers.Dense(layer,activation=activation)(layers.concatenate([x1,x2])) x1_mid2=layers.Dense(layer,activation=activation)(layers.concatenate([x3,x4])) x2_mid2=layers.Dense(layer,activation=activation)(layers.concatenate([x3,x4])) x1_mid1=layers.BatchNormalization()(x1_mid1) x2_mid1=layers.BatchNormalization()(x2_mid1) x1_mid2=layers.BatchNormalization()(x1_mid2) x2_mid2=layers.BatchNormalization()(x2_mid2) layer_classify=layers.Dense(recluster2.max()+1,activation='relu') y1=layer_classify(x1_mid1) y2=layer_classify(x2_mid1) y3=layer_classify(x1_mid2) y4=layer_classify(x2_mid2) x1=layers.concatenate([x1_mid1,x1_mid2])#batch1 x2=layers.concatenate([x2_mid1,x2_mid2])#batch2 output1=layers.Dense(2*layer,activation=activation)(x1) output2=layers.Dense(2*layer,activation=activation)(x2) output1=layers.BatchNormalization()(output1) output2=layers.BatchNormalization()(output2) def loss_weight(input_): return tf.reduce_sum(tf.multiply(input_[0],input_[1]),axis=-1) def MSE(input_): return tf.reduce_mean(tf.square(input_[0]-input_[1]),axis=-1) def multi_classification_loss(input_): return tf.keras.losses.categorical_crossentropy(input_[0],input_[1]) AE_loss_1=Lambda(MSE)([output1,x_concat1]) AE_loss_2=Lambda(MSE)([output2,x_concat2]) cls_loss_1=Lambda(MSE)([y1,Relabel1]) cls_loss_2=Lambda(MSE)([y2,Relabel2]) cls_loss_3=Lambda(MSE)([y3,Relabel3]) cls_loss_4=Lambda(MSE)([y4,Relabel4]) interweight1=Lambda(loss_weight)([Index1,Cor2]) interweight4=Lambda(loss_weight)([Index3,Cor4]) interloss_1=Lambda(MSE)([x1_mid1,x2_mid1]) interloss_4=Lambda(MSE)([x1_mid2,x2_mid2]) interloss_1=layers.Multiply()([interweight1,interloss_1]) interloss_4=layers.Multiply()([interweight4,interloss_4]) intraweight1=Lambda(loss_weight)([Relabel1,Relabel3]) intraweight2=Lambda(loss_weight)([Relabel2,Relabel4]) intraloss_1=Lambda(MSE)([x1_mid1,x1_mid2]) intraloss_2=Lambda(MSE)([x2_mid1,x2_mid2]) intraloss_1=layers.Multiply()([intraweight1,intraloss_1]) intraloss_2=layers.Multiply()([intraweight2,intraloss_2]) Loss1=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss1')([AE_loss_1,AE_loss_2]) Loss2=Lambda(lambda x:(x[0]*1+x[1]*1+x[2]*1+x[3]*1)/4,name='loss2')([cls_loss_1,cls_loss_2,cls_loss_3,cls_loss_4]) Loss3=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss3')([interloss_1,interloss_4]) Loss4=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss4')([intraloss_1,intraloss_2]) ############################################################################### network_train=K.models.Model([input1,input2,input3,input4],[Loss1,Loss2,Loss3,Loss4]) network_train.summary() ############################################################################### intra_data1={} inter_data1={} for i in range(x_test1.shape[0]): label_i=y_test1[i] intra_data1[i]=np.where(y_test1==label_i) inter_data1[i]=np.where(y_test1!=label_i) intra_data2={} inter_data2={} for i in range(x_test2.shape[0]): label_i=y_test2[i] intra_data2[i]=np.where(y_test2==label_i) inter_data2[i]=np.where(y_test2!=label_i) ############################################################################### batch_size=256 train_loss=[] loss1=[] loss2=[] loss3=[] loss4=[] ############################################################################### iterations=10000000 lr=1e-4 optimizer=K.optimizers.Adam(lr=lr) loss_weights=[1,1,1,1] #these four parts will not converge at the same speed, I don't know how to resolve it #so I choose a hard strategy, if either one is too small, stop the training, enlarge its weight, do training again #I think you can train this model better...or maybe you can teach me how to auto-balance the weight, thank you! network_train.compile(optimizer=optimizer, loss=[lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred], loss_weights=loss_weights) for i in range(iterations): x_input1_series1_train=np.zeros(x_test1.shape) index0=np.zeros(x_input1_series1_train.shape[0]) x_input1_series2_train=np.zeros(x_test2.shape) index1=np.zeros(x_input1_series2_train.shape[0]) x_input2_series1_train=np.zeros(x_test1.shape) index2=np.zeros(x_input2_series1_train.shape[0]) x_input2_series2_train=np.zeros(x_test2.shape) index3=np.zeros(x_input2_series2_train.shape[0]) for ii in range(x_test1.shape[0]): index0[ii]=random.choice(range(x_test1.shape[0])) rand1=random.random() in_rand1=np.where(x_test1[ii,:][PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]>0)[0] out_rand1=np.where(x_test1[ii,:][PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]<=0)[0] if rand1>=0.5: index1[ii]=random.choice(in_rand1) elif rand1<0.5: index1[ii]=random.choice(out_rand1) rand2=random.random() if rand2>=0.5: index2[ii]=random.choice(intra_data1[index0[ii]][0]) elif rand2<0.5: index2[ii]=random.choice(inter_data1[index0[ii]][0]) rand3=random.random() if rand3>=0.5: index3[ii]=random.choice(intra_data2[index1[ii]][0]) elif rand3<0.5: index3[ii]=random.choice(inter_data2[index1[ii]][0]) train1=x_test1[index0.astype('int'),:] train2=x_test2[index1.astype('int'),:] train3=x_test1[index2.astype('int'),:] train4=x_test2[index3.astype('int'),:] Train=network_train.fit([train1,train2,train3,train4], [np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1])], batch_size=batch_size,shuffle=True) train_loss.append(Train.history['loss'][:][0]) loss1.append(Train.history['loss1_loss'][:][0]*loss_weights[0]) loss2.append(Train.history['loss2_loss'][:][0]*loss_weights[1]) loss3.append(Train.history['loss3_loss'][:][0]*loss_weights[2]) loss4.append(Train.history['loss4_loss'][:][0]*loss_weights[3]) print(i,'loss=', Train.history['loss'][:][0], Train.history['loss1_loss'][:][0]*loss_weights[0], Train.history['loss2_loss'][:][0]*loss_weights[1], Train.history['loss3_loss'][:][0]*loss_weights[2], Train.history['loss4_loss'][:][0]*loss_weights[3]) if i>500: plt.plot(train_loss[:]) plt.plot(loss1[:]) plt.plot(loss2[:]) plt.plot(loss3[:]) plt.plot(loss4[:]) plt.title('Model loss') plt.ylabel('Loss') plt.ylim(0,max(max(train_loss[i-500:],loss1[i-500:],loss2[i-500:],loss3[i-500:],loss4[i-500:]))) plt.xlim(i-500,i) plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() plt.plot(train_loss[:]) plt.plot(loss1[:]) plt.plot(loss2[:]) plt.plot(loss3[:]) plt.plot(loss4[:]) plt.title('Model loss') plt.ylabel('Loss') plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() else: plt.plot(train_loss[500:]) plt.plot(loss1[500:]) plt.plot(loss2[500:]) plt.plot(loss3[500:]) plt.plot(loss4[500:]) plt.title('Model loss') plt.ylabel('Loss') plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() ############################################################################### network_train.load_weights('pancreas42.h5') network_predict=K.models.Model([input1,input2,input3,input4],[x1_mid1,x2_mid1,x1_mid2,x2_mid2]) [low_dim1,low_dim2,low_dim3,low_dim4]=network_predict.predict([x_test1,x_test2,x_test1,x_test2]) low_dim1=low_dim1[0:x_input1.shape[0]] low_dim2=low_dim2[0:x_input2.shape[0]] low_dim3=low_dim3[0:x_input1.shape[0]] low_dim4=low_dim4[0:x_input2.shape[0]] low_dim1=np.concatenate([low_dim1,low_dim3],axis=1) low_dim2=np.concatenate([low_dim2,low_dim4],axis=1) y_real_no1=y_testreal1[0:x_input1.shape[0]] y_recluster_no1=recluster1[0:x_input1.shape[0]] y_real_no2=y_testreal2[0:x_input2.shape[0]] y_recluster_no2=recluster2[0:x_input2.shape[0]] total_real_type=np.concatenate([y_real_no1,y_real_no2]) total_recluster_type=np.concatenate([y_recluster_no1,y_recluster_no2]) ############################################################################### series1=sc.AnnData(low_dim1) series2=sc.AnnData(low_dim2) mergedata=series1.concatenate(series2) mergedata.obsm['NN']=mergedata.X sc.pp.neighbors(mergedata,n_pcs=0) sc.tl.louvain(mergedata) sc.tl.leiden(mergedata) sc.tl.umap(mergedata) df=pd.DataFrame(total_real_type.astype('int')) df=pd.Series(np.reshape(df.values,df.values.shape[0]), dtype="category") mergedata.obs['real']=df.values sc.pl.umap(mergedata,color='louvain',size=30) sc.pl.umap(mergedata,color='leiden',size=30) sc.pl.umap(mergedata,color='batch',size=30) sc.pl.umap(mergedata,color='real',size=30) type_louvain=mergedata.obs['louvain'] type_leiden=mergedata.obs['leiden'] type_batch=mergedata.obs['batch'] type_real=mergedata.obs['real'] ############################################################################### umapdata=pd.DataFrame(mergedata.obsm['X_umap'].T,index=['tSNE1','tSNE2']) umapdata1=pd.DataFrame(mergedata.obsm['X_umap'][0:PCAseries1.shape[0],:].T,index=['tSNE1','tSNE2']) umapdata2=pd.DataFrame(mergedata.obsm['X_umap'][PCAseries1.shape[0]:,:].T,index=['tSNE1','tSNE2']) ############################################################################### plot_tSNE_batchclusters(umapdata1,umapdata2,choose_seriestype1,choose_seriestype2,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'batch1') plot_tSNE_batchclusters(umapdata2,umapdata1,choose_seriestype2,choose_seriestype1,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'batch2') plot_tSNE_clusters(umapdata,list(map(int,type_batch)), cluster_colors=cluster_colors,save=False,name=fromname+'batch') plot_tSNE_sepclusters(umapdata1,umapdata2,choose_seriestype1,choose_seriestype2,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'label1') plot_tSNE_sepclusters(umapdata2,umapdata1,choose_seriestype2,choose_seriestype1,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'label2') plot_tSNE_clusters(umapdata,list(map(int,type_real)), cluster_colors=cluster_colors,save=False, name=fromname+'label') #sio.savemat('pancreas_ourdata.mat',{'mergedata':mergedata.X,'umapdata':umapdata.values})#you need to see whether two batches are changed in turn, if so do changing again by yourself!!!
30,362
46.815748
185
py
CBA
CBA-main/species/ywb_function.py
import scipy import random import keras as K import numpy as np import pandas as pd import scanpy as sc import seaborn as sns import scipy.io as sio import tensorflow as tf from keras import layers from ywb_function import * from collections import Counter import matplotlib.pyplot as plt from keras.regularizers import l2 from sklearn import preprocessing from keras.layers.core import Lambda from keras.callbacks import TensorBoard from keras.callbacks import LearningRateScheduler from sklearn.cluster import AgglomerativeClustering from sklearn.model_selection import train_test_split from imblearn.over_sampling import RandomOverSampler from mpl_toolkits.axes_grid1 import make_axes_locatable def color(value): digit = list(map(str, range(10))) + list("ABCDEF") if isinstance(value, tuple): string = '#' for i in value: a1 = i // 16 a2 = i % 16 string += digit[a1] + digit[a2] return string elif isinstance(value, str): a1 = digit.index(value[1]) * 16 + digit.index(value[2]) a2 = digit.index(value[3]) * 16 + digit.index(value[4]) a3 = digit.index(value[5]) * 16 + digit.index(value[6]) return (a1, a2, a3) cluster_colors=[ color((213,94,0)), color((0,114,178)), color((204,121,167)), color((0,158,115)), color((86,180,233)), color((230,159,0)), color((240,228,66)), color((0,0,0)), '#D3D3D3', '#FF00FF', '#aec470', '#b3ee3d', '#de4726', '#f69149', '#f81919', '#ff49b0', '#f05556', '#fadf0b', '#f8c495', '#ffc1c1', '#ffc125', '#ffc0cb', '#ffbbff', '#ffb90f', '#ffb6c1', '#ffb5c5', '#ff83fa', '#ff8c00', '#ff4040', '#ff3030', '#ff34b3', '#00fa9a', '#ca4479', '#eead0e', '#ff1493', '#0ab4e4', '#1e6a87', '#800080', '#00e5ee', '#c71585', '#027fd0', '#004dba', '#0a9fb4', '#004b71', '#285528', '#2f7449', '#21b183', '#3e4198', '#4e14a6', '#5dd73d', '#64a44e', '#6787d6', '#6c6b6b', '#6c6b6b', '#7759a4', '#78edff', '#762a14', '#9805cc', '#9b067d', '#af7efe', '#a7623d'] def plot_tSNE_clusters(df_tSNE,labels,cluster_colors=None,s=6,save=False,name=None): fig,ax=plt.subplots(figsize=(4, 4)) ax.scatter(df_tSNE.loc['tSNE1'], df_tSNE.loc['tSNE2'],s=s,alpha=0.8,lw=0,c=[cluster_colors[i] for i in labels]) ax.axis('equal') ax.set_axis_off() if save==True: plt.savefig('{}.eps'.format(name),dpi=600,format='eps') def plot_tSNE_batchclusters(df_tSNE1,df_tSNE2,labels1,labels2,cluster_colors=None,s=0.8,save=False,name=None): fig,ax=plt.subplots(figsize=(4, 4)) ax.scatter(df_tSNE2.loc['tSNE1'], df_tSNE2.loc['tSNE2'],s=s,alpha=0.8,lw=0,c='#D3D3D3') ax.scatter(df_tSNE1.loc['tSNE1'], df_tSNE1.loc['tSNE2'],s=s,alpha=0.8,lw=0,c=[cluster_colors[1] for i in labels1]) ax.axis('equal') ax.set_axis_off() if save==True: plt.savefig('{}.eps'.format(name),dpi=600,format='eps') def plot_tSNE_sepclusters(df_tSNE1,df_tSNE2,labels1,labels2,cluster_colors=None,s=0.8,save=False,name=None): fig,ax=plt.subplots(figsize=(4, 4)) ax.scatter(df_tSNE2.loc['tSNE1'], df_tSNE2.loc['tSNE2'],s=s,alpha=0.8,lw=0,c='#D3D3D3') ax.scatter(df_tSNE1.loc['tSNE1'], df_tSNE1.loc['tSNE2'],s=s,alpha=0.8,lw=0,c=[cluster_colors[i] for i in labels1]) ax.axis('equal') ax.set_axis_off() if save==True: plt.savefig('{}.eps'.format(name),dpi=600,format='eps') def plot_tSNE_cluster(df_tSNE,labels,cluster_colors=None,s=6,save=False,name=None): index=[[] for i in range(np.max(labels)+1)] for i in range(len(labels)): index[int(labels[i])].append(i) index=[i for i in index if i!=[]] for i in range(len(np.unique(labels))): color=np.array(labels)[index[i]][0] fig,ax=plt.subplots() ax.scatter(df_tSNE.loc['tSNE1'], df_tSNE.loc['tSNE2'],c='#D3D3D3',s=s,lw=0) ax.scatter(df_tSNE.loc['tSNE1'].iloc[index[i]],df_tSNE.loc['tSNE2'].iloc[index[i]],c=[cluster_colors[k] for k in np.array(labels)[index[i]]],s=s,lw=0) ax.axis('equal') ax.set_axis_off() if save == True: plt.savefig('{}.eps'.format(name+str(color)), dpi=600,format='eps') def gen_labels(df, model): if str(type(model)).startswith("<class 'sklearn.cluster"): cell_labels = dict(zip(df.columns, model.labels_)) label_cells = {} for l in np.unique(model.labels_): label_cells[l] = [] for i, label in enumerate(model.labels_): label_cells[label].append(df.columns[i]) cellID = list(df.columns) labels = list(model.labels_) labels_a = model.labels_ elif type(model) == np.ndarray: cell_labels = dict(zip(df.columns, model)) label_cells = {} for l in np.unique(model): label_cells[l] = [] for i, label in enumerate(model): label_cells[label].append(df.columns[i]) cellID = list(df.columns) labels = list(model) labels_a = model else: print('Error wrong input type') return cell_labels, label_cells, cellID, labels, labels_a def heatmap(correlation_recluster_cell_final,choose_seriestype1,choose_seriestype2,save=False,name=''): df=pd.DataFrame(correlation_recluster_cell_final) labels1=np.array(choose_seriestype1) labels2=np.array(choose_seriestype2) cell_labels1,label_cells1,cellID1,labels1,labels_a1=gen_labels(df.T,np.array(labels1)) cell_labels2,label_cells2,cellID2,labels2,labels_a2=gen_labels(df,np.array(labels2)) optimal_order=np.unique(np.concatenate([labels1,labels2])) cl,lc=gen_labels(df,np.array(labels2))[:2] optimal_sort_cells=sum([lc[i] for i in np.unique(labels2)],[]) optimal_sort_labels=[cl[i] for i in optimal_sort_cells] fig,axHM=plt.subplots(figsize=(9,5)) df_full=df.copy() z=df_full.values z=pd.DataFrame(z, index=df_full.index,columns=df_full.columns) z=z.loc[:,optimal_sort_cells].values im=axHM.pcolormesh(z,cmap='viridis',vmax=1) plt.gca().invert_yaxis() plt.xlim(xmax=len(labels2)) plt.xticks([]) plt.yticks([]) divider=make_axes_locatable(axHM) axLabel1=divider.append_axes("top",.3,pad=0,sharex=axHM) axLabel2=divider.append_axes("left",.3,pad=0,sharex=axHM) counter2=Counter(labels2) counter1=Counter(labels1) pos2=0 pos1=0 for l in optimal_order: axLabel1.barh(y=0,left=pos2,width=counter2[l],color=cluster_colors[l],linewidth=0.5,edgecolor=cluster_colors[l]) pos2+=counter2[l] optimal_order=np.flipud(optimal_order) for l in optimal_order: axLabel2.bar(x=0,bottom=pos1,height=counter1[l],color=cluster_colors[l],linewidth=50,edgecolor=cluster_colors[l]) pos1+=counter1[l] axLabel1.set_xlim(xmax=len(labels2)) axLabel1.axis('off') axLabel2.set_ylim(ymax=len(labels1)) axLabel2.axis('off') cax=fig.add_axes([.91,0.13,0.01,0.22]) colorbar=fig.colorbar(im,cax=cax,ticks=[0,1]) colorbar.set_ticklabels(['0','max']) plt.savefig('{}.jpg'.format(name),dpi=600,format='jpg')
7,512
33.782407
158
py
CBA
CBA-main/species/species_main.py
""" Created on Fri Mar 27 18:58:59 2020 @author: 17b90 """ import kBET import scipy import random import keras as K import numpy as np import pandas as pd import scanpy as sc import seaborn as sns import scipy.io as sio import tensorflow as tf from keras import layers from ywb_function import * import sklearn.metrics as sm from collections import Counter import matplotlib.pyplot as plt from keras.regularizers import l2 from sklearn import preprocessing from keras.layers.core import Lambda from keras.callbacks import TensorBoard from imblearn.over_sampling import SMOTE,ADASYN from keras.callbacks import LearningRateScheduler from sklearn.cluster import AgglomerativeClustering from sklearn.model_selection import train_test_split from imblearn.over_sampling import RandomOverSampler from mpl_toolkits.axes_grid1 import make_axes_locatable from scipy.cluster.hierarchy import dendrogram, linkage #input the data H_acc=sc.read_mtx('GSE127774_ACC_H_matrix.mtx') C_acc=sc.read_mtx('GSE127774_ACC_C_matrix.mtx') H_acc_data=scipy.sparse.csr_matrix(H_acc.X, dtype=np.int8).toarray() C_acc_data=scipy.sparse.csr_matrix(C_acc.X, dtype=np.int8).toarray() H_acc_gene=pd.read_csv('GSE127774_ACC_H_genes.csv', header=None) H_acc_data=pd.DataFrame(data=H_acc_data, index=H_acc_gene[0].values).astype(float) C_acc_gene=pd.read_csv('GSE127774_ACC_C_genes.csv', header=None) C_acc_data=pd.DataFrame(data=C_acc_data, index=C_acc_gene[0].values).astype(float) human_chimpanzee_genecouple=pd.read_csv('human_chimpanzee.csv', header=None) row=[] for i in range(human_chimpanzee_genecouple.shape[0]): if (human_chimpanzee_genecouple.values==human_chimpanzee_genecouple.loc[i][0]).sum()>=2 or (human_chimpanzee_genecouple.values==human_chimpanzee_genecouple.loc[i][1]).sum()>=2: human_chimpanzee_genecouple.loc[i][0]='0' human_chimpanzee_genecouple.loc[i][1]='0' row.append(i) human_chimpanzee_genecouple_new=human_chimpanzee_genecouple.drop(row) human_chimpanzee_genecouple_new=pd.DataFrame(human_chimpanzee_genecouple_new.values) series1=human_expressionlevel series2=chimpanzee_expressionlevel gene_couple=human_chimpanzee_genecouple_new series1_gene=gene_couple[0][1:].values series2_gene=gene_couple[1][1:].values #to remove genes which only exist in single species series1_gene='hg38____'+series1_gene series2_gene='panTro5_'+series2_gene series1_gene=list(series1_gene) series2_gene=list(series2_gene) for i in range(len(series1_gene)): if series1_gene[i] not in list(series1.index) or series2_gene[i] not in list(series2.index): series1_gene[i]=0 series2_gene[i]=0 series1_gene=list(filter(lambda x:x!=0,series1_gene)) series2_gene=list(filter(lambda x:x!=0,series2_gene)) #only choose these genes series1_choose=series1.loc[series1_gene] series2_choose=series2.loc[series2_gene] series1_ann=sc.AnnData((series1_choose.values).T,obs=pd.DataFrame(series1_choose.columns), var=pd.DataFrame(series1_choose.index)) series2_ann=sc.AnnData((series2_choose.values).T,obs=pd.DataFrame(series2_choose.columns), var=pd.DataFrame(series2_choose.index)) RAWseries1=series1_ann.X.T RAWseries2=series2_ann.X.T fromname='humanchimpanzee' pca_dim=20#the number of PCs clusternumber=1 ############################################################################### anndata1=sc.AnnData(RAWseries1.T) celluse=np.arange(0,anndata1.shape[0]) anndata1.obs['usecell']=celluse sc.pp.filter_cells(anndata1,min_genes=20)#we cant to select some human cells, because my laptop is not good, so many cells are hard for it to do the training, moreover, the memory is also not enough anndata2=sc.AnnData(RAWseries2.T) celluse=np.arange(0,anndata2.shape[0]) anndata2.obs['usecell']=celluse sc.pp.filter_cells(anndata2,min_genes=20) anndata=anndata1.concatenate(anndata2) sc.pp.filter_genes(anndata,min_cells=50) sc.pp.normalize_per_cell(anndata,counts_per_cell_after=1e4) sc.pp.log1p(anndata) sc.pp.highly_variable_genes(anndata) sc.pl.highly_variable_genes(anndata) anndata=anndata[:,anndata.var['highly_variable']] sc.tl.pca(anndata,n_comps=pca_dim) Obtainseries1=(anndata.obsm['X_pca'])[anndata.obs['batch']=='0',:] Obtainseries2=(anndata.obsm['X_pca'])[anndata.obs['batch']=='1',:] Obtainseries1=sc.AnnData(Obtainseries1) Obtainseries2=sc.AnnData(Obtainseries2) sc.pp.neighbors(Obtainseries1,n_pcs=0) sc.tl.umap(Obtainseries1) sc.tl.louvain(Obtainseries1,resolution=1) sc.pl.umap(Obtainseries1,color='louvain',size=30) sc.pp.neighbors(Obtainseries2,n_pcs=0) sc.tl.umap(Obtainseries2) sc.tl.louvain(Obtainseries2,resolution=1) sc.pl.umap(Obtainseries2,color='louvain',size=30) PCAseries1=Obtainseries1.X PCAseries2=Obtainseries2.X ############################################################################### recluster1=np.array(list(map(int,Obtainseries1.obs['louvain']))) recluster2=np.array(list(map(int,Obtainseries2.obs['louvain']))) ############################################################################### #for i in range(len(np.unique(recluster1))): # print((np.where(recluster1==i))[0].shape[0]) #for i in range(len(np.unique(recluster2))): # print((np.where(recluster2==i))[0].shape[0]) # ##for the first batch #number_cluster1=len(np.unique(recluster1)) #series1_data=np.zeros([0,PCAseries1.shape[1]]) #series1_index=np.zeros([0]) #recluster1plus=np.zeros([0]) #alpha=3#because the limiattion of memory of my laptop, I have to retain 1/3 human cells,so I preserve 1/3 human cells in each louvain cluster, this step is also unsupervised #for i in range(number_cluster1): # index=np.where(recluster1==i)[0] # random.shuffle(index) # series1_data=np.concatenate([series1_data,(PCAseries1)[index[0::alpha]]]) # series1_index=np.concatenate([series1_index,index[0::alpha]]) # recluster1plus=np.concatenate([recluster1plus,np.zeros([index[0::alpha].shape[0]])+i]) # ##for the second batch #number_cluster2=len(np.unique(recluster2)) #series2_data=np.zeros([0,PCAseries2.shape[1]]) #series2_index=np.zeros([0]) #recluster2plus=np.zeros([0]) #beta=1#fortunately, we could retain all chimp cells!!!!! #for i in range(number_cluster2): # index=np.where(recluster2==i)[0] # random.shuffle(index) # series2_data=np.concatenate([series2_data,(PCAseries2)[index[0::beta]]]) # series2_index=np.concatenate([series2_index,index[0::beta]]) # recluster2plus=np.concatenate([recluster2plus,np.zeros([index[0::beta].shape[0]])+i]) # #sio.savemat('series1_index.mat',{'series1_index':series1_index}) #sio.savemat('series2_index.mat',{'series2_index':series2_index}) #this is the indexes of cells I used series1_index=sio.loadmat('series1_index.mat')['series1_index'][0].astype('int') series2_index=sio.loadmat('series2_index.mat')['series2_index'][0].astype('int') PCAseries1=PCAseries1[series1_index] PCAseries2=PCAseries2[series2_index] recluster1=recluster1[series1_index] recluster2=recluster2[series2_index] recluster1=recluster1.astype('int') recluster2=recluster2.astype('int') print(recluster1.shape[0]) print(recluster2.shape[0]) ############################################################################### def dis(P,Q,distance_method): if distance_method==0: return np.sqrt(np.sum(np.square(P-Q))) if distance_method==1: return 1-(np.multiply(P,Q).sum()/(np.sqrt(np.sum(np.square(P)))*np.sqrt(np.sum(np.square(Q))))) ############################################################################### change=0 if len(np.unique(recluster1))<=len(np.unique(recluster2)): PCAseries1plus=PCAseries2 PCAseries2plus=PCAseries1 recluster1plus=recluster2 recluster2plus=recluster1 change=1 else: PCAseries1plus=PCAseries1 PCAseries2plus=PCAseries2 recluster1plus=recluster1 recluster2plus=recluster2 ############################################################################### #ok, let's calculate the similarity of cells/clusters correlation_recluster=np.zeros([len(np.unique(recluster1plus)),len(np.unique(recluster2plus))]) correlation_recluster_cell=np.zeros([recluster1plus.shape[0],recluster2plus.shape[0]]) for i in range(len(np.unique(recluster1plus))): for j in range(len(np.unique(recluster2plus))): print(i,j) index_series1=np.where(recluster1plus==i)[0] index_series2=np.where(recluster2plus==j)[0] cell_series1=PCAseries1plus[index_series1,:] cell_series2=PCAseries2plus[index_series2,:] mean1=0 for iq in range(cell_series1.shape[0]): for jq in range(cell_series2.shape[0]): mean1+=dis(cell_series1[iq,:],cell_series2[jq,:],1) correlation_recluster[i,j]=mean1/(cell_series1.shape[0]*cell_series2.shape[0]) for ii in range(cell_series1.shape[0]): for jj in range(cell_series2.shape[0]): mean2=dis(cell_series1[ii,:],cell_series2[jj,:],0) correlation_recluster_cell[index_series1[ii],index_series2[jj]]=mean2+0.00001 plt.imshow(correlation_recluster) plt.imshow(correlation_recluster_cell) correlation_recluster_div=-np.log10(correlation_recluster) correlation_recluster_cell_div=-np.log10(correlation_recluster_cell) correlation_recluster_norm=(correlation_recluster_div-correlation_recluster_div.min())/(correlation_recluster_div.max()-correlation_recluster_div.min()) correlation_recluster_cell_norm=(correlation_recluster_cell_div-correlation_recluster_cell_div.min())/(correlation_recluster_cell_div.max()-correlation_recluster_cell_div.min()) plt.imshow(correlation_recluster_norm) plt.imshow(correlation_recluster_cell_norm) ############################################################################### #remove bad parts, do the matching correlation_recluster_select=np.zeros(correlation_recluster_norm.shape) recluster_mid=np.zeros(recluster1plus.shape) for kk in range(correlation_recluster_norm.shape[0]): ind=np.sort(correlation_recluster_norm[kk,:]) select=correlation_recluster_norm[kk,:]<ind[-clusternumber] select=(select==False) recluster_mid[recluster1plus==kk]+=int(np.where(select==True)[0]) correlation_recluster_select[kk,:]=correlation_recluster_norm[kk,:]*select plt.imshow(correlation_recluster_select) correlation_recluster_cell_final=correlation_recluster_cell*0 for i in range(correlation_recluster_cell_norm.shape[0]): for j in range(correlation_recluster_cell_norm.shape[1]): label1=recluster1plus[i] label2=recluster2plus[j] mean1=correlation_recluster_select[label1,label2] mean2=correlation_recluster_cell_norm[i,j] if mean1==0: correlation_recluster_cell_final[i,j]=0 else: correlation_recluster_cell_final[i,j]=mean2 plt.imshow(correlation_recluster_select) plt.imshow(correlation_recluster_cell_final) recluster1plus=recluster_mid.astype('int') np.unique(recluster1plus) np.unique(recluster2plus) sort_correlation_recluster_cell_final=correlation_recluster_cell_final[recluster1plus.argsort(),:] sort_correlation_recluster_cell_final=sort_correlation_recluster_cell_final[:,recluster2plus.argsort()] heatmap(sort_correlation_recluster_cell_final,recluster1plus,recluster2plus,save=True,name='speciesmatrix') ############################################################################### if change==1: PCAseries1=PCAseries2plus PCAseries2=PCAseries1plus recluster1=recluster2plus recluster2=recluster1plus else: PCAseries1=PCAseries1plus PCAseries2=PCAseries2plus recluster1=recluster1plus recluster2=recluster2plus ############################################################################### Obtainseries1plus=sc.AnnData(PCAseries1) Obtainseries2plus=sc.AnnData(PCAseries2) sc.pp.neighbors(Obtainseries1plus,n_pcs=0) sc.tl.umap(Obtainseries1plus) df=pd.DataFrame(recluster1.astype('int')) df=pd.Series(np.reshape(df.values,df.values.shape[0]), dtype="category") Obtainseries1plus.obs['louvain']=df.values sc.pl.umap(Obtainseries1plus,color='louvain',size=30) umapdata1=pd.DataFrame(Obtainseries1plus.obsm['X_umap'].T, index=['tSNE1','tSNE2']) plot_tSNE_clusters(umapdata1,Obtainseries1plus.obs['louvain'],cluster_colors=cluster_colors,save=False, name=fromname+'louvain') sc.pp.neighbors(Obtainseries2plus,n_pcs=0) sc.tl.umap(Obtainseries2plus) df=pd.DataFrame(recluster2.astype('int')) df=pd.Series(np.reshape(df.values,df.values.shape[0]), dtype="category") Obtainseries2plus.obs['louvain']=df.values sc.pl.umap(Obtainseries2plus,color='louvain',size=30) umapdata2=pd.DataFrame(Obtainseries2plus.obsm['X_umap'].T, index=['tSNE1','tSNE2']) plot_tSNE_clusters(umapdata2,Obtainseries2plus.obs['louvain'],cluster_colors=cluster_colors,save=False, name=fromname+'louvain') ############################################################################### #ok, I use keras, cells in each input are randomly selected, I don't know how to match cells with their similarity #I also don't know how to match the cell part with their distance, so I design the following inputs #It will waste some time, it's not easy and unclear for readers, but it works! PCAseries=np.concatenate([PCAseries1,PCAseries2]) PCAseries=preprocessing.StandardScaler().fit_transform(PCAseries) PCAseries=preprocessing.MinMaxScaler().fit_transform(PCAseries) PCAseries1=PCAseries[0:PCAseries1.shape[0]] PCAseries2=PCAseries[PCAseries1.shape[0]:] x_input1=np.zeros([PCAseries1.shape[0],PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]+max(recluster1.max(),recluster2.max())+1]) x_input2=np.zeros([PCAseries2.shape[0],PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]+max(recluster1.max(),recluster2.max())+1]) for i in range(PCAseries1.shape[0]): print(i) x_input1[i,0:PCAseries1.shape[1]]=PCAseries1[i,:] x_input1[i,PCAseries1.shape[1]:PCAseries1.shape[1]+PCAseries1.shape[0]]=K.utils.np_utils.to_categorical(i,PCAseries1.shape[0]) x_input1[i,PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]=correlation_recluster_cell_final[i,:] x_input1[i,PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]:]=K.utils.np_utils.to_categorical(recluster1[i],max(recluster1.max(),recluster2.max())+1) for j in range(PCAseries2.shape[0]): print(j) x_input2[j,0:PCAseries2.shape[1]]=PCAseries2[j,:] x_input2[j,PCAseries2.shape[1]:PCAseries2.shape[1]+PCAseries2.shape[0]]=K.utils.np_utils.to_categorical(j,PCAseries2.shape[0]) x_input2[j,PCAseries2.shape[1]+PCAseries2.shape[0]:PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]]=correlation_recluster_cell_final[:,j] x_input2[j,PCAseries2.shape[1]+PCAseries2.shape[0]+PCAseries1.shape[0]:]=K.utils.np_utils.to_categorical(recluster2[j],max(recluster1.max(),recluster2.max())+1) ############################################################################### #interesting, I need to make two batches have the same number of cells, so I have to copy cells again and again if x_input1.shape[0]>=x_input2.shape[0]: x_test1=x_input1 y_test1=recluster1 y_testreal1=choose_seriestype1 repeat_num=int(np.ceil(x_input1.shape[0]/x_input2.shape[0])) x_test2=np.tile(x_input2,(repeat_num,1)) y_test2=np.tile(recluster2,repeat_num) y_testreal2=np.tile(choose_seriestype2,repeat_num) x_test2=x_test2[0:x_test1.shape[0],:] y_test2=y_test2[0:x_test1.shape[0]] y_testreal2=y_testreal2[0:x_test1.shape[0]] elif x_input1.shape[0]<x_input2.shape[0]: x_test2=x_input2 y_test2=recluster2 y_testreal2=choose_seriestype2 repeat_num=int(np.ceil(x_input2.shape[0]/x_input1.shape[0])) x_test1=np.tile(x_input1,(repeat_num,1)) y_test1=np.tile(recluster1,repeat_num) y_testreal1=np.tile(choose_seriestype1,repeat_num) x_test1=x_test1[0:x_test2.shape[0],:] y_test1=y_test1[0:x_test2.shape[0]] y_testreal1=y_testreal1[0:x_test2.shape[0]] ############################################################################### def choose_info(x,info_number): return x[:,0:info_number] def choose_index(x,info_number,x_samplenumber): return x[:,info_number:info_number+x_samplenumber] def choose_corrlation(x,info_number,x_samplenumber,cor_number): return x[:,info_number+x_samplenumber:info_number+x_samplenumber+cor_number] def choose_relabel(x,info_number,x_samplenumber,cor_number): return x[:,info_number+x_samplenumber+cor_number:] def slic(input_): return input_[:,0] ############################################################################### activation='relu' info_number=PCAseries1.shape[1] layer=PCAseries1.shape[1] input1=K.Input(shape=(x_test1.shape[1],))#line1 species1 input2=K.Input(shape=(x_test2.shape[1],))#line1 species2 input3=K.Input(shape=(x_test1.shape[1],))#line2 species1 input4=K.Input(shape=(x_test2.shape[1],))#line2 species2 Data1=Lambda(choose_info,arguments={'info_number':info_number})(input1) Data2=Lambda(choose_info,arguments={'info_number':info_number})(input2) Data3=Lambda(choose_info,arguments={'info_number':info_number})(input3) Data4=Lambda(choose_info,arguments={'info_number':info_number})(input4) Index1=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0]})(input1) Index2=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0]})(input2) Index3=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0]})(input3) Index4=Lambda(choose_index,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0]})(input4) Cor1=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input1) Cor2=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input2) Cor3=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input3) Cor4=Lambda(choose_corrlation,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input4) Relabel1=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input1) Relabel2=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input2) Relabel3=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries1.shape[0],'cor_number':PCAseries2.shape[0]})(input3) Relabel4=Lambda(choose_relabel,arguments={'info_number':info_number,'x_samplenumber':PCAseries2.shape[0],'cor_number':PCAseries1.shape[0]})(input4) x_concat1=layers.concatenate([Data1,Data3])#batch1 x_concat2=layers.concatenate([Data2,Data4])#batch2 x1=layers.Dense(layer,activation=activation)(Data1) x2=layers.Dense(layer,activation=activation)(Data2) x3=layers.Dense(layer,activation=activation)(Data3) x4=layers.Dense(layer,activation=activation)(Data4) x1=layers.BatchNormalization()(x1) x2=layers.BatchNormalization()(x2) x3=layers.BatchNormalization()(x3) x4=layers.BatchNormalization()(x4) x1_mid1=layers.Dense(layer,activation=activation)(layers.concatenate([x1,x2])) x2_mid1=layers.Dense(layer,activation=activation)(layers.concatenate([x1,x2])) x1_mid2=layers.Dense(layer,activation=activation)(layers.concatenate([x3,x4])) x2_mid2=layers.Dense(layer,activation=activation)(layers.concatenate([x3,x4])) x1_mid1=layers.BatchNormalization()(x1_mid1) x2_mid1=layers.BatchNormalization()(x2_mid1) x1_mid2=layers.BatchNormalization()(x1_mid2) x2_mid2=layers.BatchNormalization()(x2_mid2) layer_classify=layers.Dense(max(recluster1.max(),recluster2.max())+1,activation='relu') y1=layer_classify(x1_mid1) y2=layer_classify(x2_mid1) y3=layer_classify(x1_mid2) y4=layer_classify(x2_mid2) x1=layers.concatenate([x1_mid1,x1_mid2])#batch1 x2=layers.concatenate([x2_mid1,x2_mid2])#batch2 output1=layers.Dense(2*layer,activation=activation)(x1) output2=layers.Dense(2*layer,activation=activation)(x2) output1=layers.BatchNormalization()(output1) output2=layers.BatchNormalization()(output2) def loss_weight(input_): return tf.reduce_sum(tf.multiply(input_[0],input_[1]),axis=-1) def MSE(input_): return tf.reduce_mean(tf.square(input_[0]-input_[1]),axis=-1) def multi_classification_loss(input_): return tf.keras.losses.categorical_crossentropy(input_[0],input_[1]) AE_loss_1=Lambda(MSE)([output1,x_concat1]) AE_loss_2=Lambda(MSE)([output2,x_concat2]) cls_loss_1=Lambda(MSE)([y1,Relabel1]) cls_loss_2=Lambda(MSE)([y2,Relabel2]) cls_loss_3=Lambda(MSE)([y3,Relabel3]) cls_loss_4=Lambda(MSE)([y4,Relabel4]) interweight1=Lambda(loss_weight)([Index1,Cor2]) interweight4=Lambda(loss_weight)([Index3,Cor4]) interloss_1=Lambda(MSE)([x1_mid1,x2_mid1]) interloss_4=Lambda(MSE)([x1_mid2,x2_mid2]) interloss_1=layers.Multiply()([interweight1,interloss_1]) interloss_4=layers.Multiply()([interweight4,interloss_4]) intraweight1=Lambda(loss_weight)([Relabel1,Relabel3]) intraweight2=Lambda(loss_weight)([Relabel2,Relabel4]) intraloss_1=Lambda(MSE)([x1_mid1,x1_mid2]) intraloss_2=Lambda(MSE)([x2_mid1,x2_mid2]) intraloss_1=layers.Multiply()([intraweight1,intraloss_1]) intraloss_2=layers.Multiply()([intraweight2,intraloss_2]) Loss1=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss1')([AE_loss_1,AE_loss_2]) Loss2=Lambda(lambda x:(x[0]*1+x[1]*1+x[2]*1+x[3]*1)/4,name='loss2')([cls_loss_1,cls_loss_2,cls_loss_3,cls_loss_4]) Loss3=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss3')([interloss_1,interloss_4]) Loss4=Lambda(lambda x:(x[0]*1+x[1]*1)/2,name='loss4')([intraloss_1,intraloss_2]) ############################################################################### network_train=K.models.Model([input1,input2,input3,input4], [Loss1,Loss2,Loss3,Loss4]) network_train.summary() ############################################################################### intra_data1={} inter_data1={} for i in range(x_test1.shape[0]): label_i=y_test1[i] intra_data1[i]=np.where(y_test1==label_i) inter_data1[i]=np.where(y_test1!=label_i) intra_data2={} inter_data2={} for i in range(x_test2.shape[0]): label_i=y_test2[i] intra_data2[i]=np.where(y_test2==label_i) inter_data2[i]=np.where(y_test2!=label_i) ############################################################################### batch_size=512 train_loss=[] loss1=[] loss2=[] loss3=[] loss4=[] ############################################################################### iterations=1 lr=5e-3 optimizer=K.optimizers.Adam(lr=lr) loss_weights=[1,1,1,1] network_train.compile(optimizer=optimizer, loss=[lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred, lambda y_true,y_pred: y_pred], loss_weights=loss_weights) for i in range(iterations): x_input1_series1_train=np.zeros(x_test1.shape) index0=np.zeros(x_input1_series1_train.shape[0]) x_input1_series2_train=np.zeros(x_test2.shape) index1=np.zeros(x_input1_series2_train.shape[0]) x_input2_series1_train=np.zeros(x_test1.shape) index2=np.zeros(x_input2_series1_train.shape[0]) x_input2_series2_train=np.zeros(x_test2.shape) index3=np.zeros(x_input2_series2_train.shape[0]) for ii in range(x_test1.shape[0]): index0[ii]=random.choice(range(x_test1.shape[0])) rand1=random.random() in_rand1=np.where(x_test1[ii,:][PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]>0)[0] out_rand1=np.where(x_test1[ii,:][PCAseries1.shape[1]+PCAseries1.shape[0]:PCAseries1.shape[1]+PCAseries1.shape[0]+PCAseries2.shape[0]]<=0)[0] if rand1>=0.5: index1[ii]=random.choice(in_rand1) elif rand1<0.5: index1[ii]=random.choice(out_rand1) rand2=random.random() if rand2>=0.5: index2[ii]=random.choice(intra_data1[index0[ii]][0]) elif rand2<0.5: index2[ii]=random.choice(inter_data1[index0[ii]][0]) rand3=random.random() if rand3>=0.5: index3[ii]=random.choice(intra_data2[index1[ii]][0]) elif rand3<0.5: index3[ii]=random.choice(inter_data2[index1[ii]][0]) train1=x_test1[index0.astype('int'),:] train2=x_test2[index1.astype('int'),:] train3=x_test1[index2.astype('int'),:] train4=x_test2[index3.astype('int'),:] Train=network_train.fit([train1,train2,train3,train4], [np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1]), np.zeros([train1.shape[0],1])], batch_size=batch_size,shuffle=True) train_loss.append(Train.history['loss'][:][0]) loss1.append(Train.history['loss1_loss'][:][0]*loss_weights[0]) loss2.append(Train.history['loss2_loss'][:][0]*loss_weights[1]) loss3.append(Train.history['loss3_loss'][:][0]*loss_weights[2]) loss4.append(Train.history['loss4_loss'][:][0]*loss_weights[3]) print(i,'loss=', Train.history['loss'][:][0], Train.history['loss1_loss'][:][0]*loss_weights[0], Train.history['loss2_loss'][:][0]*loss_weights[1], Train.history['loss3_loss'][:][0]*loss_weights[2], Train.history['loss4_loss'][:][0]*loss_weights[3]) if i>10: plt.plot(train_loss[:]) plt.plot(loss1[:]) plt.plot(loss2[:]) plt.plot(loss3[:]) plt.plot(loss4[:]) plt.title('Model loss') plt.ylabel('Loss') plt.ylim(0,max(max(train_loss[len(train_loss)-10:],loss1[len(train_loss)-10:], loss2[len(train_loss)-10:],loss3[len(train_loss)-10:], loss4[len(train_loss)-10:]))) plt.xlim(len(train_loss)-10-10,len(train_loss)) plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() plt.plot(train_loss[:]) plt.plot(loss1[:]) plt.plot(loss2[:]) plt.plot(loss3[:]) plt.plot(loss4[:]) plt.title('Model loss') plt.ylabel('Loss') plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() else: plt.plot(train_loss[10:]) plt.plot(loss1[10:]) plt.plot(loss2[10:]) plt.plot(loss3[10:]) plt.plot(loss4[10:]) plt.title('Model loss') plt.ylabel('Loss') plt.xlabel('Epoch') plt.legend(['Train','loss1','loss2','loss3','loss4'],loc='upper left') plt.show() ############################################################################### network_train.load_weights('speciesAC.h5') network_predict=K.models.Model([input1,input2,input3,input4], [x1_mid1,x2_mid1,x1_mid2,x2_mid2]) [low_dim1,low_dim2,low_dim3,low_dim4]=network_predict.predict([x_test1,x_test2,x_test1,x_test2]) low_dim1=low_dim1[0:x_input1.shape[0]] low_dim2=low_dim2[0:x_input2.shape[0]] low_dim3=low_dim3[0:x_input1.shape[0]] low_dim4=low_dim4[0:x_input2.shape[0]] y_recluster_no1=recluster1[0:x_input1.shape[0]] y_recluster_no2=recluster2[0:x_input2.shape[0]] ############################################################################### total_recluster_type=np.concatenate([y_recluster_no1,y_recluster_no2]) ############################################################################### series1=sc.AnnData(low_dim1) series2=sc.AnnData(low_dim2) mergedata=series1.concatenate(series2) mergedata.obsm['NN']=mergedata.X sc.pp.neighbors(mergedata,n_pcs=0) sc.tl.louvain(mergedata) sc.tl.leiden(mergedata) sc.tl.umap(mergedata) sc.pl.umap(mergedata,color='louvain',size=30) sc.pl.umap(mergedata,color='leiden',size=30) sc.pl.umap(mergedata,color='batch',size=30) type_louvain=mergedata.obs['louvain'] type_leiden=mergedata.obs['leiden'] type_batch=mergedata.obs['batch'] ############################################################################### umapdata=pd.DataFrame(mergedata.obsm['X_umap'].T,index=['tSNE1','tSNE2']) umapdata1=pd.DataFrame(mergedata.obsm['X_umap'][0:PCAseries1.shape[0],:].T,index=['tSNE1','tSNE2']) umapdata2=pd.DataFrame(mergedata.obsm['X_umap'][PCAseries1.shape[0]:,:].T,index=['tSNE1','tSNE2']) ############################################################################### fromname='一次审核之后的结果/figure/speciesCBA_' plot_tSNE_sepclusters(umapdata1,umapdata2,y_recluster_noSMOTE1*0,y_recluster_noSMOTE2*0+1,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'label1') plot_tSNE_sepclusters(umapdata2,umapdata1,y_recluster_noSMOTE2*0+1,y_recluster_noSMOTE1*0,s=6,cluster_colors=cluster_colors,save=False,name=fromname+'label2') plot_tSNE_clusters(umapdata,list(map(int,np.concatenate([y_recluster_noSMOTE1*0,y_recluster_noSMOTE2*0+1]))),cluster_colors=cluster_colors,save=False, name=fromname+'batch') plot_tSNE_clusters(umapdata,list(map(int,type_louvain)), cluster_colors=cluster_colors,save=False, name=fromname+'louvain')
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ColBERT
ColBERT-master/colbert/parameters.py
import torch DEVICE = torch.device("cuda") SAVED_CHECKPOINTS = [32*1000, 100*1000, 150*1000, 200*1000, 300*1000, 400*1000] SAVED_CHECKPOINTS += [10*1000, 20*1000, 30*1000, 40*1000, 50*1000, 60*1000, 70*1000, 80*1000, 90*1000] SAVED_CHECKPOINTS += [25*1000, 50*1000, 75*1000] SAVED_CHECKPOINTS = set(SAVED_CHECKPOINTS)
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ColBERT
ColBERT-master/colbert/train.py
import os import random import torch import copy import colbert.utils.distributed as distributed from colbert.utils.parser import Arguments from colbert.utils.runs import Run from colbert.training.training import train def main(): parser = Arguments(description='Training ColBERT with <query, positive passage, negative passage> triples.') parser.add_model_parameters() parser.add_model_training_parameters() parser.add_training_input() args = parser.parse() assert args.bsize % args.accumsteps == 0, ((args.bsize, args.accumsteps), "The batch size must be divisible by the number of gradient accumulation steps.") assert args.query_maxlen <= 512 assert args.doc_maxlen <= 512 args.lazy = args.collection is not None with Run.context(consider_failed_if_interrupted=False): train(args) if __name__ == "__main__": main()
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ColBERT
ColBERT-master/colbert/evaluation/loaders.py
import os import ujson import torch import random from collections import defaultdict, OrderedDict from colbert.parameters import DEVICE from colbert.modeling.colbert import ColBERT from colbert.utils.utils import print_message, load_checkpoint from colbert.evaluation.load_model import load_model from colbert.utils.runs import Run def load_queries(queries_path): queries = OrderedDict() print_message("#> Loading the queries from", queries_path, "...") with open(queries_path) as f: for line in f: qid, query, *_ = line.strip().split('\t') qid = int(qid) assert (qid not in queries), ("Query QID", qid, "is repeated!") queries[qid] = query print_message("#> Got", len(queries), "queries. All QIDs are unique.\n") return queries def load_qrels(qrels_path): if qrels_path is None: return None print_message("#> Loading qrels from", qrels_path, "...") qrels = OrderedDict() with open(qrels_path, mode='r', encoding="utf-8") as f: for line in f: qid, x, pid, y = map(int, line.strip().split('\t')) assert x == 0 and y == 1 qrels[qid] = qrels.get(qid, []) qrels[qid].append(pid) assert all(len(qrels[qid]) == len(set(qrels[qid])) for qid in qrels) avg_positive = round(sum(len(qrels[qid]) for qid in qrels) / len(qrels), 2) print_message("#> Loaded qrels for", len(qrels), "unique queries with", avg_positive, "positives per query on average.\n") return qrels def load_topK(topK_path): queries = OrderedDict() topK_docs = OrderedDict() topK_pids = OrderedDict() print_message("#> Loading the top-k per query from", topK_path, "...") with open(topK_path) as f: for line_idx, line in enumerate(f): if line_idx and line_idx % (10*1000*1000) == 0: print(line_idx, end=' ', flush=True) qid, pid, query, passage = line.split('\t') qid, pid = int(qid), int(pid) assert (qid not in queries) or (queries[qid] == query) queries[qid] = query topK_docs[qid] = topK_docs.get(qid, []) topK_docs[qid].append(passage) topK_pids[qid] = topK_pids.get(qid, []) topK_pids[qid].append(pid) print() assert all(len(topK_pids[qid]) == len(set(topK_pids[qid])) for qid in topK_pids) Ks = [len(topK_pids[qid]) for qid in topK_pids] print_message("#> max(Ks) =", max(Ks), ", avg(Ks) =", round(sum(Ks) / len(Ks), 2)) print_message("#> Loaded the top-k per query for", len(queries), "unique queries.\n") return queries, topK_docs, topK_pids def load_topK_pids(topK_path, qrels): topK_pids = defaultdict(list) topK_positives = defaultdict(list) print_message("#> Loading the top-k PIDs per query from", topK_path, "...") with open(topK_path) as f: for line_idx, line in enumerate(f): if line_idx and line_idx % (10*1000*1000) == 0: print(line_idx, end=' ', flush=True) qid, pid, *rest = line.strip().split('\t') qid, pid = int(qid), int(pid) topK_pids[qid].append(pid) assert len(rest) in [1, 2, 3] if len(rest) > 1: *_, label = rest label = int(label) assert label in [0, 1] if label >= 1: topK_positives[qid].append(pid) print() assert all(len(topK_pids[qid]) == len(set(topK_pids[qid])) for qid in topK_pids) assert all(len(topK_positives[qid]) == len(set(topK_positives[qid])) for qid in topK_positives) # Make them sets for fast lookups later topK_positives = {qid: set(topK_positives[qid]) for qid in topK_positives} Ks = [len(topK_pids[qid]) for qid in topK_pids] print_message("#> max(Ks) =", max(Ks), ", avg(Ks) =", round(sum(Ks) / len(Ks), 2)) print_message("#> Loaded the top-k per query for", len(topK_pids), "unique queries.\n") if len(topK_positives) == 0: topK_positives = None else: assert len(topK_pids) >= len(topK_positives) for qid in set.difference(set(topK_pids.keys()), set(topK_positives.keys())): topK_positives[qid] = [] assert len(topK_pids) == len(topK_positives) avg_positive = round(sum(len(topK_positives[qid]) for qid in topK_positives) / len(topK_pids), 2) print_message("#> Concurrently got annotations for", len(topK_positives), "unique queries with", avg_positive, "positives per query on average.\n") assert qrels is None or topK_positives is None, "Cannot have both qrels and an annotated top-K file!" if topK_positives is None: topK_positives = qrels return topK_pids, topK_positives def load_collection(collection_path): print_message("#> Loading collection...") collection = [] with open(collection_path) as f: for line_idx, line in enumerate(f): if line_idx % (1000*1000) == 0: print(f'{line_idx // 1000 // 1000}M', end=' ', flush=True) pid, passage, *rest = line.strip().split('\t') assert pid == 'id' or int(pid) == line_idx if len(rest) >= 1: title = rest[0] passage = title + ' | ' + passage collection.append(passage) print() return collection def load_colbert(args, do_print=True): colbert, checkpoint = load_model(args, do_print) # TODO: If the parameters below were not specified on the command line, their *checkpoint* values should be used. # I.e., not their purely (i.e., training) default values. for k in ['query_maxlen', 'doc_maxlen', 'dim', 'similarity', 'amp']: if 'arguments' in checkpoint and hasattr(args, k): if k in checkpoint['arguments'] and checkpoint['arguments'][k] != getattr(args, k): a, b = checkpoint['arguments'][k], getattr(args, k) Run.warn(f"Got checkpoint['arguments']['{k}'] != args.{k} (i.e., {a} != {b})") if 'arguments' in checkpoint: if args.rank < 1: print(ujson.dumps(checkpoint['arguments'], indent=4)) if do_print: print('\n') return colbert, checkpoint
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ColBERT
ColBERT-master/colbert/evaluation/load_model.py
import os import ujson import torch import random from collections import defaultdict, OrderedDict from colbert.parameters import DEVICE from colbert.modeling.colbert import ColBERT from colbert.utils.utils import print_message, load_checkpoint def load_model(args, do_print=True): colbert = ColBERT.from_pretrained('bert-base-uncased', query_maxlen=args.query_maxlen, doc_maxlen=args.doc_maxlen, dim=args.dim, similarity_metric=args.similarity, mask_punctuation=args.mask_punctuation) colbert = colbert.to(DEVICE) print_message("#> Loading model checkpoint.", condition=do_print) checkpoint = load_checkpoint(args.checkpoint, colbert, do_print=do_print) colbert.eval() return colbert, checkpoint
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ColBERT
ColBERT-master/colbert/evaluation/ranking.py
import os import random import time import torch import torch.nn as nn from itertools import accumulate from math import ceil from colbert.utils.runs import Run from colbert.utils.utils import print_message from colbert.evaluation.metrics import Metrics from colbert.evaluation.ranking_logger import RankingLogger from colbert.modeling.inference import ModelInference from colbert.evaluation.slow import slow_rerank def evaluate(args): args.inference = ModelInference(args.colbert, amp=args.amp) qrels, queries, topK_pids = args.qrels, args.queries, args.topK_pids depth = args.depth collection = args.collection if collection is None: topK_docs = args.topK_docs def qid2passages(qid): if collection is not None: return [collection[pid] for pid in topK_pids[qid][:depth]] else: return topK_docs[qid][:depth] metrics = Metrics(mrr_depths={10, 100}, recall_depths={50, 200, 1000}, success_depths={5, 10, 20, 50, 100, 1000}, total_queries=len(queries)) ranking_logger = RankingLogger(Run.path, qrels=qrels) args.milliseconds = [] with ranking_logger.context('ranking.tsv', also_save_annotations=(qrels is not None)) as rlogger: with torch.no_grad(): keys = sorted(list(queries.keys())) random.shuffle(keys) for query_idx, qid in enumerate(keys): query = queries[qid] print_message(query_idx, qid, query, '\n') if qrels and args.shortcircuit and len(set.intersection(set(qrels[qid]), set(topK_pids[qid]))) == 0: continue ranking = slow_rerank(args, query, topK_pids[qid], qid2passages(qid)) rlogger.log(qid, ranking, [0, 1]) if qrels: metrics.add(query_idx, qid, ranking, qrels[qid]) for i, (score, pid, passage) in enumerate(ranking): if pid in qrels[qid]: print("\n#> Found", pid, "at position", i+1, "with score", score) print(passage) break metrics.print_metrics(query_idx) metrics.log(query_idx) print_message("#> checkpoint['batch'] =", args.checkpoint['batch'], '\n') print("rlogger.filename =", rlogger.filename) if len(args.milliseconds) > 1: print('Slow-Ranking Avg Latency =', sum(args.milliseconds[1:]) / len(args.milliseconds[1:])) print("\n\n") print("\n\n") # print('Avg Latency =', sum(args.milliseconds[1:]) / len(args.milliseconds[1:])) print("\n\n") print('\n\n') if qrels: assert query_idx + 1 == len(keys) == len(set(keys)) metrics.output_final_metrics(os.path.join(Run.path, 'ranking.metrics'), query_idx, len(queries)) print('\n\n')
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ColBERT
ColBERT-master/colbert/indexing/loaders.py
import os import torch import ujson from math import ceil from itertools import accumulate from colbert.utils.utils import print_message def get_parts(directory): extension = '.pt' parts = sorted([int(filename[: -1 * len(extension)]) for filename in os.listdir(directory) if filename.endswith(extension)]) assert list(range(len(parts))) == parts, parts # Integer-sortedness matters. parts_paths = [os.path.join(directory, '{}{}'.format(filename, extension)) for filename in parts] samples_paths = [os.path.join(directory, '{}.sample'.format(filename)) for filename in parts] return parts, parts_paths, samples_paths def load_doclens(directory, flatten=True): parts, _, _ = get_parts(directory) doclens_filenames = [os.path.join(directory, 'doclens.{}.json'.format(filename)) for filename in parts] all_doclens = [ujson.load(open(filename)) for filename in doclens_filenames] if flatten: all_doclens = [x for sub_doclens in all_doclens for x in sub_doclens] return all_doclens
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py
ColBERT
ColBERT-master/colbert/indexing/faiss.py
import os import math import faiss import torch import numpy as np import threading import queue from colbert.utils.utils import print_message, grouper from colbert.indexing.loaders import get_parts from colbert.indexing.index_manager import load_index_part from colbert.indexing.faiss_index import FaissIndex def get_faiss_index_name(args, offset=None, endpos=None): partitions_info = '' if args.partitions is None else f'.{args.partitions}' range_info = '' if offset is None else f'.{offset}-{endpos}' return f'ivfpq{partitions_info}{range_info}.faiss' def load_sample(samples_paths, sample_fraction=None): sample = [] for filename in samples_paths: print_message(f"#> Loading {filename} ...") part = load_index_part(filename) if sample_fraction: part = part[torch.randint(0, high=part.size(0), size=(int(part.size(0) * sample_fraction),))] sample.append(part) sample = torch.cat(sample).float().numpy() print("#> Sample has shape", sample.shape) return sample def prepare_faiss_index(slice_samples_paths, partitions, sample_fraction=None): training_sample = load_sample(slice_samples_paths, sample_fraction=sample_fraction) dim = training_sample.shape[-1] index = FaissIndex(dim, partitions) print_message("#> Training with the vectors...") index.train(training_sample) print_message("Done training!\n") return index SPAN = 3 def index_faiss(args): print_message("#> Starting..") parts, parts_paths, samples_paths = get_parts(args.index_path) if args.sample is not None: assert args.sample, args.sample print_message(f"#> Training with {round(args.sample * 100.0, 1)}% of *all* embeddings (provided --sample).") samples_paths = parts_paths num_parts_per_slice = math.ceil(len(parts) / args.slices) for slice_idx, part_offset in enumerate(range(0, len(parts), num_parts_per_slice)): part_endpos = min(part_offset + num_parts_per_slice, len(parts)) slice_parts_paths = parts_paths[part_offset:part_endpos] slice_samples_paths = samples_paths[part_offset:part_endpos] if args.slices == 1: faiss_index_name = get_faiss_index_name(args) else: faiss_index_name = get_faiss_index_name(args, offset=part_offset, endpos=part_endpos) output_path = os.path.join(args.index_path, faiss_index_name) print_message(f"#> Processing slice #{slice_idx+1} of {args.slices} (range {part_offset}..{part_endpos}).") print_message(f"#> Will write to {output_path}.") assert not os.path.exists(output_path), output_path index = prepare_faiss_index(slice_samples_paths, args.partitions, args.sample) loaded_parts = queue.Queue(maxsize=1) def _loader_thread(thread_parts_paths): for filenames in grouper(thread_parts_paths, SPAN, fillvalue=None): sub_collection = [load_index_part(filename) for filename in filenames if filename is not None] sub_collection = torch.cat(sub_collection) sub_collection = sub_collection.float().numpy() loaded_parts.put(sub_collection) thread = threading.Thread(target=_loader_thread, args=(slice_parts_paths,)) thread.start() print_message("#> Indexing the vectors...") for filenames in grouper(slice_parts_paths, SPAN, fillvalue=None): print_message("#> Loading", filenames, "(from queue)...") sub_collection = loaded_parts.get() print_message("#> Processing a sub_collection with shape", sub_collection.shape) index.add(sub_collection) print_message("Done indexing!") index.save(output_path) print_message(f"\n\nDone! All complete (for slice #{slice_idx+1} of {args.slices})!") thread.join()
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ColBERT
ColBERT-master/colbert/indexing/index_manager.py
import torch import faiss import numpy as np from colbert.utils.utils import print_message class IndexManager(): def __init__(self, dim): self.dim = dim def save(self, tensor, path_prefix): torch.save(tensor, path_prefix) def load_index_part(filename, verbose=True): part = torch.load(filename) if type(part) == list: # for backward compatibility part = torch.cat(part) return part
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ColBERT
ColBERT-master/colbert/indexing/encoder.py
import os import time import torch import ujson import numpy as np import itertools import threading import queue from colbert.modeling.inference import ModelInference from colbert.evaluation.loaders import load_colbert from colbert.utils.utils import print_message from colbert.indexing.index_manager import IndexManager class CollectionEncoder(): def __init__(self, args, process_idx, num_processes): self.args = args self.collection = args.collection self.process_idx = process_idx self.num_processes = num_processes assert 0.5 <= args.chunksize <= 128.0 max_bytes_per_file = args.chunksize * (1024*1024*1024) max_bytes_per_doc = (self.args.doc_maxlen * self.args.dim * 2.0) # Determine subset sizes for output minimum_subset_size = 10_000 maximum_subset_size = max_bytes_per_file / max_bytes_per_doc maximum_subset_size = max(minimum_subset_size, maximum_subset_size) self.possible_subset_sizes = [int(maximum_subset_size)] self.print_main("#> Local args.bsize =", args.bsize) self.print_main("#> args.index_root =", args.index_root) self.print_main(f"#> self.possible_subset_sizes = {self.possible_subset_sizes}") self._load_model() self.indexmgr = IndexManager(args.dim) self.iterator = self._initialize_iterator() def _initialize_iterator(self): return open(self.collection) def _saver_thread(self): for args in iter(self.saver_queue.get, None): self._save_batch(*args) def _load_model(self): self.colbert, self.checkpoint = load_colbert(self.args, do_print=(self.process_idx == 0)) self.colbert = self.colbert.cuda() self.colbert.eval() self.inference = ModelInference(self.colbert, amp=self.args.amp) def encode(self): self.saver_queue = queue.Queue(maxsize=3) thread = threading.Thread(target=self._saver_thread) thread.start() t0 = time.time() local_docs_processed = 0 for batch_idx, (offset, lines, owner) in enumerate(self._batch_passages(self.iterator)): if owner != self.process_idx: continue t1 = time.time() batch = self._preprocess_batch(offset, lines) embs, doclens = self._encode_batch(batch_idx, batch) t2 = time.time() self.saver_queue.put((batch_idx, embs, offset, doclens)) t3 = time.time() local_docs_processed += len(lines) overall_throughput = compute_throughput(local_docs_processed, t0, t3) this_encoding_throughput = compute_throughput(len(lines), t1, t2) this_saving_throughput = compute_throughput(len(lines), t2, t3) self.print(f'#> Completed batch #{batch_idx} (starting at passage #{offset}) \t\t' f'Passages/min: {overall_throughput} (overall), ', f'{this_encoding_throughput} (this encoding), ', f'{this_saving_throughput} (this saving)') self.saver_queue.put(None) self.print("#> Joining saver thread.") thread.join() def _batch_passages(self, fi): """ Must use the same seed across processes! """ np.random.seed(0) offset = 0 for owner in itertools.cycle(range(self.num_processes)): batch_size = np.random.choice(self.possible_subset_sizes) L = [line for _, line in zip(range(batch_size), fi)] if len(L) == 0: break # EOF yield (offset, L, owner) offset += len(L) if len(L) < batch_size: break # EOF self.print("[NOTE] Done with local share.") return def _preprocess_batch(self, offset, lines): endpos = offset + len(lines) batch = [] for line_idx, line in zip(range(offset, endpos), lines): line_parts = line.strip().split('\t') pid, passage, *other = line_parts assert len(passage) >= 1 if len(other) >= 1: title, *_ = other passage = title + ' | ' + passage batch.append(passage) assert pid == 'id' or int(pid) == line_idx return batch def _encode_batch(self, batch_idx, batch): with torch.no_grad(): embs = self.inference.docFromText(batch, bsize=self.args.bsize, keep_dims=False) assert type(embs) is list assert len(embs) == len(batch) local_doclens = [d.size(0) for d in embs] embs = torch.cat(embs) return embs, local_doclens def _save_batch(self, batch_idx, embs, offset, doclens): start_time = time.time() output_path = os.path.join(self.args.index_path, "{}.pt".format(batch_idx)) output_sample_path = os.path.join(self.args.index_path, "{}.sample".format(batch_idx)) doclens_path = os.path.join(self.args.index_path, 'doclens.{}.json'.format(batch_idx)) # Save the embeddings. self.indexmgr.save(embs, output_path) self.indexmgr.save(embs[torch.randint(0, high=embs.size(0), size=(embs.size(0) // 20,))], output_sample_path) # Save the doclens. with open(doclens_path, 'w') as output_doclens: ujson.dump(doclens, output_doclens) throughput = compute_throughput(len(doclens), start_time, time.time()) self.print_main("#> Saved batch #{} to {} \t\t".format(batch_idx, output_path), "Saving Throughput =", throughput, "passages per minute.\n") def print(self, *args): print_message("[" + str(self.process_idx) + "]", "\t\t", *args) def print_main(self, *args): if self.process_idx == 0: self.print(*args) def compute_throughput(size, t0, t1): throughput = size / (t1 - t0) * 60 if throughput > 1000 * 1000: throughput = throughput / (1000*1000) throughput = round(throughput, 1) return '{}M'.format(throughput) throughput = throughput / (1000) throughput = round(throughput, 1) return '{}k'.format(throughput)
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ColBERT
ColBERT-master/colbert/indexing/faiss_index_gpu.py
""" Heavily based on: https://github.com/facebookresearch/faiss/blob/master/benchs/bench_gpu_1bn.py """ import sys import time import math import faiss import torch import numpy as np from colbert.utils.utils import print_message class FaissIndexGPU(): def __init__(self): self.ngpu = faiss.get_num_gpus() if self.ngpu == 0: return self.tempmem = 1 << 33 self.max_add_per_gpu = 1 << 25 self.max_add = self.max_add_per_gpu * self.ngpu self.add_batch_size = 65536 self.gpu_resources = self._prepare_gpu_resources() def _prepare_gpu_resources(self): print_message(f"Preparing resources for {self.ngpu} GPUs.") gpu_resources = [] for _ in range(self.ngpu): res = faiss.StandardGpuResources() if self.tempmem >= 0: res.setTempMemory(self.tempmem) gpu_resources.append(res) return gpu_resources def _make_vres_vdev(self): """ return vectors of device ids and resources useful for gpu_multiple """ assert self.ngpu > 0 vres = faiss.GpuResourcesVector() vdev = faiss.IntVector() for i in range(self.ngpu): vdev.push_back(i) vres.push_back(self.gpu_resources[i]) return vres, vdev def training_initialize(self, index, quantizer): """ The index and quantizer should be owned by caller. """ assert self.ngpu > 0 s = time.time() self.index_ivf = faiss.extract_index_ivf(index) self.clustering_index = faiss.index_cpu_to_all_gpus(quantizer) self.index_ivf.clustering_index = self.clustering_index print(time.time() - s) def training_finalize(self): assert self.ngpu > 0 s = time.time() self.index_ivf.clustering_index = faiss.index_gpu_to_cpu(self.index_ivf.clustering_index) print(time.time() - s) def adding_initialize(self, index): """ The index should be owned by caller. """ assert self.ngpu > 0 self.co = faiss.GpuMultipleClonerOptions() self.co.useFloat16 = True self.co.useFloat16CoarseQuantizer = False self.co.usePrecomputed = False self.co.indicesOptions = faiss.INDICES_CPU self.co.verbose = True self.co.reserveVecs = self.max_add self.co.shard = True assert self.co.shard_type in (0, 1, 2) self.vres, self.vdev = self._make_vres_vdev() self.gpu_index = faiss.index_cpu_to_gpu_multiple(self.vres, self.vdev, index, self.co) def add(self, index, data, offset): assert self.ngpu > 0 t0 = time.time() nb = data.shape[0] for i0 in range(0, nb, self.add_batch_size): i1 = min(i0 + self.add_batch_size, nb) xs = data[i0:i1] self.gpu_index.add_with_ids(xs, np.arange(offset+i0, offset+i1)) if self.max_add > 0 and self.gpu_index.ntotal > self.max_add: self._flush_to_cpu(index, nb, offset) print('\r%d/%d (%.3f s) ' % (i0, nb, time.time() - t0), end=' ') sys.stdout.flush() if self.gpu_index.ntotal > 0: self._flush_to_cpu(index, nb, offset) assert index.ntotal == offset+nb, (index.ntotal, offset+nb, offset, nb) print(f"add(.) time: %.3f s \t\t--\t\t index.ntotal = {index.ntotal}" % (time.time() - t0)) def _flush_to_cpu(self, index, nb, offset): print("Flush indexes to CPU") for i in range(self.ngpu): index_src_gpu = faiss.downcast_index(self.gpu_index if self.ngpu == 1 else self.gpu_index.at(i)) index_src = faiss.index_gpu_to_cpu(index_src_gpu) index_src.copy_subset_to(index, 0, offset, offset+nb) index_src_gpu.reset() index_src_gpu.reserveMemory(self.max_add) if self.ngpu > 1: try: self.gpu_index.sync_with_shard_indexes() except: self.gpu_index.syncWithSubIndexes()
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ColBERT
ColBERT-master/colbert/indexing/faiss_index.py
import sys import time import math import faiss import torch import numpy as np from colbert.indexing.faiss_index_gpu import FaissIndexGPU from colbert.utils.utils import print_message class FaissIndex(): def __init__(self, dim, partitions): self.dim = dim self.partitions = partitions self.gpu = FaissIndexGPU() self.quantizer, self.index = self._create_index() self.offset = 0 def _create_index(self): quantizer = faiss.IndexFlatL2(self.dim) # faiss.IndexHNSWFlat(dim, 32) index = faiss.IndexIVFPQ(quantizer, self.dim, self.partitions, 16, 8) return quantizer, index def train(self, train_data): print_message(f"#> Training now (using {self.gpu.ngpu} GPUs)...") if self.gpu.ngpu > 0: self.gpu.training_initialize(self.index, self.quantizer) s = time.time() self.index.train(train_data) print(time.time() - s) if self.gpu.ngpu > 0: self.gpu.training_finalize() def add(self, data): print_message(f"Add data with shape {data.shape} (offset = {self.offset})..") if self.gpu.ngpu > 0 and self.offset == 0: self.gpu.adding_initialize(self.index) if self.gpu.ngpu > 0: self.gpu.add(self.index, data, self.offset) else: self.index.add(data) self.offset += data.shape[0] def save(self, output_path): print_message(f"Writing index to {output_path} ...") self.index.nprobe = 10 # just a default faiss.write_index(self.index, output_path)
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ColBERT
ColBERT-master/colbert/training/training.py
import os import random import time import torch import torch.nn as nn import numpy as np from transformers import AdamW from colbert.utils.runs import Run from colbert.utils.amp import MixedPrecisionManager from colbert.training.lazy_batcher import LazyBatcher from colbert.training.eager_batcher import EagerBatcher from colbert.parameters import DEVICE from colbert.modeling.colbert import ColBERT from colbert.utils.utils import print_message from colbert.training.utils import print_progress, manage_checkpoints def train(args): random.seed(12345) np.random.seed(12345) torch.manual_seed(12345) if args.distributed: torch.cuda.manual_seed_all(12345) if args.distributed: assert args.bsize % args.nranks == 0, (args.bsize, args.nranks) assert args.accumsteps == 1 args.bsize = args.bsize // args.nranks print("Using args.bsize =", args.bsize, "(per process) and args.accumsteps =", args.accumsteps) if args.lazy: reader = LazyBatcher(args, (0 if args.rank == -1 else args.rank), args.nranks) else: reader = EagerBatcher(args, (0 if args.rank == -1 else args.rank), args.nranks) if args.rank not in [-1, 0]: torch.distributed.barrier() colbert = ColBERT.from_pretrained('bert-base-uncased', query_maxlen=args.query_maxlen, doc_maxlen=args.doc_maxlen, dim=args.dim, similarity_metric=args.similarity, mask_punctuation=args.mask_punctuation) if args.checkpoint is not None: assert args.resume_optimizer is False, "TODO: This would mean reload optimizer too." print_message(f"#> Starting from checkpoint {args.checkpoint} -- but NOT the optimizer!") checkpoint = torch.load(args.checkpoint, map_location='cpu') try: colbert.load_state_dict(checkpoint['model_state_dict']) except: print_message("[WARNING] Loading checkpoint with strict=False") colbert.load_state_dict(checkpoint['model_state_dict'], strict=False) if args.rank == 0: torch.distributed.barrier() colbert = colbert.to(DEVICE) colbert.train() if args.distributed: colbert = torch.nn.parallel.DistributedDataParallel(colbert, device_ids=[args.rank], output_device=args.rank, find_unused_parameters=True) optimizer = AdamW(filter(lambda p: p.requires_grad, colbert.parameters()), lr=args.lr, eps=1e-8) optimizer.zero_grad() amp = MixedPrecisionManager(args.amp) criterion = nn.CrossEntropyLoss() labels = torch.zeros(args.bsize, dtype=torch.long, device=DEVICE) start_time = time.time() train_loss = 0.0 start_batch_idx = 0 if args.resume: assert args.checkpoint is not None start_batch_idx = checkpoint['batch'] reader.skip_to_batch(start_batch_idx, checkpoint['arguments']['bsize']) for batch_idx, BatchSteps in zip(range(start_batch_idx, args.maxsteps), reader): this_batch_loss = 0.0 for queries, passages in BatchSteps: with amp.context(): scores = colbert(queries, passages).view(2, -1).permute(1, 0) loss = criterion(scores, labels[:scores.size(0)]) loss = loss / args.accumsteps if args.rank < 1: print_progress(scores) amp.backward(loss) train_loss += loss.item() this_batch_loss += loss.item() amp.step(colbert, optimizer) if args.rank < 1: avg_loss = train_loss / (batch_idx+1) num_examples_seen = (batch_idx - start_batch_idx) * args.bsize * args.nranks elapsed = float(time.time() - start_time) log_to_mlflow = (batch_idx % 20 == 0) Run.log_metric('train/avg_loss', avg_loss, step=batch_idx, log_to_mlflow=log_to_mlflow) Run.log_metric('train/batch_loss', this_batch_loss, step=batch_idx, log_to_mlflow=log_to_mlflow) Run.log_metric('train/examples', num_examples_seen, step=batch_idx, log_to_mlflow=log_to_mlflow) Run.log_metric('train/throughput', num_examples_seen / elapsed, step=batch_idx, log_to_mlflow=log_to_mlflow) print_message(batch_idx, avg_loss) manage_checkpoints(args, colbert, optimizer, batch_idx+1)
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ColBERT
ColBERT-master/colbert/training/utils.py
import os import torch from colbert.utils.runs import Run from colbert.utils.utils import print_message, save_checkpoint from colbert.parameters import SAVED_CHECKPOINTS def print_progress(scores): positive_avg, negative_avg = round(scores[:, 0].mean().item(), 2), round(scores[:, 1].mean().item(), 2) print("#>>> ", positive_avg, negative_avg, '\t\t|\t\t', positive_avg - negative_avg) def manage_checkpoints(args, colbert, optimizer, batch_idx): arguments = args.input_arguments.__dict__ path = os.path.join(Run.path, 'checkpoints') if not os.path.exists(path): os.mkdir(path) if batch_idx % 2000 == 0: name = os.path.join(path, "colbert.dnn") save_checkpoint(name, 0, batch_idx, colbert, optimizer, arguments) if batch_idx in SAVED_CHECKPOINTS: name = os.path.join(path, "colbert-{}.dnn".format(batch_idx)) save_checkpoint(name, 0, batch_idx, colbert, optimizer, arguments)
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ColBERT
ColBERT-master/colbert/utils/logging.py
import os import sys import ujson import mlflow import traceback from torch.utils.tensorboard import SummaryWriter from colbert.utils.utils import print_message, create_directory class Logger(): def __init__(self, rank, run): self.rank = rank self.is_main = self.rank in [-1, 0] self.run = run self.logs_path = os.path.join(self.run.path, "logs/") if self.is_main: self._init_mlflow() self.initialized_tensorboard = False create_directory(self.logs_path) def _init_mlflow(self): mlflow.set_tracking_uri('file://' + os.path.join(self.run.experiments_root, "logs/mlruns/")) mlflow.set_experiment('/'.join([self.run.experiment, self.run.script])) mlflow.set_tag('experiment', self.run.experiment) mlflow.set_tag('name', self.run.name) mlflow.set_tag('path', self.run.path) def _init_tensorboard(self): root = os.path.join(self.run.experiments_root, "logs/tensorboard/") logdir = '__'.join([self.run.experiment, self.run.script, self.run.name]) logdir = os.path.join(root, logdir) self.writer = SummaryWriter(log_dir=logdir) self.initialized_tensorboard = True def _log_exception(self, etype, value, tb): if not self.is_main: return output_path = os.path.join(self.logs_path, 'exception.txt') trace = ''.join(traceback.format_exception(etype, value, tb)) + '\n' print_message(trace, '\n\n') self.log_new_artifact(output_path, trace) def _log_all_artifacts(self): if not self.is_main: return mlflow.log_artifacts(self.logs_path) def _log_args(self, args): if not self.is_main: return for key in vars(args): value = getattr(args, key) if type(value) in [int, float, str, bool]: mlflow.log_param(key, value) with open(os.path.join(self.logs_path, 'args.json'), 'w') as output_metadata: ujson.dump(args.input_arguments.__dict__, output_metadata, indent=4) output_metadata.write('\n') with open(os.path.join(self.logs_path, 'args.txt'), 'w') as output_metadata: output_metadata.write(' '.join(sys.argv) + '\n') def log_metric(self, name, value, step, log_to_mlflow=True): if not self.is_main: return if not self.initialized_tensorboard: self._init_tensorboard() if log_to_mlflow: mlflow.log_metric(name, value, step=step) self.writer.add_scalar(name, value, step) def log_new_artifact(self, path, content): with open(path, 'w') as f: f.write(content) mlflow.log_artifact(path) def warn(self, *args): msg = print_message('[WARNING]', '\t', *args) with open(os.path.join(self.logs_path, 'warnings.txt'), 'a') as output_metadata: output_metadata.write(msg + '\n\n\n') def info_all(self, *args): print_message('[' + str(self.rank) + ']', '\t', *args) def info(self, *args): if self.is_main: print_message(*args)
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ColBERT
ColBERT-master/colbert/utils/utils.py
import os import tqdm import torch import datetime import itertools from multiprocessing import Pool from collections import OrderedDict, defaultdict def print_message(*s, condition=True): s = ' '.join([str(x) for x in s]) msg = "[{}] {}".format(datetime.datetime.now().strftime("%b %d, %H:%M:%S"), s) if condition: print(msg, flush=True) return msg def timestamp(): format_str = "%Y-%m-%d_%H.%M.%S" result = datetime.datetime.now().strftime(format_str) return result def file_tqdm(file): print(f"#> Reading {file.name}") with tqdm.tqdm(total=os.path.getsize(file.name) / 1024.0 / 1024.0, unit="MiB") as pbar: for line in file: yield line pbar.update(len(line) / 1024.0 / 1024.0) pbar.close() def save_checkpoint(path, epoch_idx, mb_idx, model, optimizer, arguments=None): print(f"#> Saving a checkpoint to {path} ..") if hasattr(model, 'module'): model = model.module # extract model from a distributed/data-parallel wrapper checkpoint = {} checkpoint['epoch'] = epoch_idx checkpoint['batch'] = mb_idx checkpoint['model_state_dict'] = model.state_dict() checkpoint['optimizer_state_dict'] = optimizer.state_dict() checkpoint['arguments'] = arguments torch.save(checkpoint, path) def load_checkpoint(path, model, optimizer=None, do_print=True): if do_print: print_message("#> Loading checkpoint", path, "..") if path.startswith("http:") or path.startswith("https:"): checkpoint = torch.hub.load_state_dict_from_url(path, map_location='cpu') else: checkpoint = torch.load(path, map_location='cpu') state_dict = checkpoint['model_state_dict'] new_state_dict = OrderedDict() for k, v in state_dict.items(): name = k if k[:7] == 'module.': name = k[7:] new_state_dict[name] = v checkpoint['model_state_dict'] = new_state_dict try: model.load_state_dict(checkpoint['model_state_dict']) except: print_message("[WARNING] Loading checkpoint with strict=False") model.load_state_dict(checkpoint['model_state_dict'], strict=False) if optimizer: optimizer.load_state_dict(checkpoint['optimizer_state_dict']) if do_print: print_message("#> checkpoint['epoch'] =", checkpoint['epoch']) print_message("#> checkpoint['batch'] =", checkpoint['batch']) return checkpoint def create_directory(path): if os.path.exists(path): print('\n') print_message("#> Note: Output directory", path, 'already exists\n\n') else: print('\n') print_message("#> Creating directory", path, '\n\n') os.makedirs(path) # def batch(file, bsize): # while True: # L = [ujson.loads(file.readline()) for _ in range(bsize)] # yield L # return def f7(seq): """ Source: https://stackoverflow.com/a/480227/1493011 """ seen = set() return [x for x in seq if not (x in seen or seen.add(x))] def batch(group, bsize, provide_offset=False): offset = 0 while offset < len(group): L = group[offset: offset + bsize] yield ((offset, L) if provide_offset else L) offset += len(L) return class dotdict(dict): """ dot.notation access to dictionary attributes Credit: derek73 @ https://stackoverflow.com/questions/2352181 """ __getattr__ = dict.__getitem__ __setattr__ = dict.__setitem__ __delattr__ = dict.__delitem__ def flatten(L): return [x for y in L for x in y] def zipstar(L, lazy=False): """ A much faster A, B, C = zip(*[(a, b, c), (a, b, c), ...]) May return lists or tuples. """ if len(L) == 0: return L width = len(L[0]) if width < 100: return [[elem[idx] for elem in L] for idx in range(width)] L = zip(*L) return L if lazy else list(L) def zip_first(L1, L2): length = len(L1) if type(L1) in [tuple, list] else None L3 = list(zip(L1, L2)) assert length in [None, len(L3)], "zip_first() failure: length differs!" return L3 def int_or_float(val): if '.' in val: return float(val) return int(val) def load_ranking(path, types=None, lazy=False): print_message(f"#> Loading the ranked lists from {path} ..") try: lists = torch.load(path) lists = zipstar([l.tolist() for l in tqdm.tqdm(lists)], lazy=lazy) except: if types is None: types = itertools.cycle([int_or_float]) with open(path) as f: lists = [[typ(x) for typ, x in zip_first(types, line.strip().split('\t'))] for line in file_tqdm(f)] return lists def save_ranking(ranking, path): lists = zipstar(ranking) lists = [torch.tensor(l) for l in lists] torch.save(lists, path) return lists def groupby_first_item(lst): groups = defaultdict(list) for first, *rest in lst: rest = rest[0] if len(rest) == 1 else rest groups[first].append(rest) return groups def process_grouped_by_first_item(lst): """ Requires items in list to already be grouped by first item. """ groups = defaultdict(list) started = False last_group = None for first, *rest in lst: rest = rest[0] if len(rest) == 1 else rest if started and first != last_group: yield (last_group, groups[last_group]) assert first not in groups, f"{first} seen earlier --- violates precondition." groups[first].append(rest) last_group = first started = True return groups def grouper(iterable, n, fillvalue=None): """ Collect data into fixed-length chunks or blocks Example: grouper('ABCDEFG', 3, 'x') --> ABC DEF Gxx" Source: https://docs.python.org/3/library/itertools.html#itertools-recipes """ args = [iter(iterable)] * n return itertools.zip_longest(*args, fillvalue=fillvalue) # see https://stackoverflow.com/a/45187287 class NullContextManager(object): def __init__(self, dummy_resource=None): self.dummy_resource = dummy_resource def __enter__(self): return self.dummy_resource def __exit__(self, *args): pass def load_batch_backgrounds(args, qids): if args.qid2backgrounds is None: return None qbackgrounds = [] for qid in qids: back = args.qid2backgrounds[qid] if len(back) and type(back[0]) == int: x = [args.collection[pid] for pid in back] else: x = [args.collectionX.get(pid, '') for pid in back] x = ' [SEP] '.join(x) qbackgrounds.append(x) return qbackgrounds
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ColBERT
ColBERT-master/colbert/utils/distributed.py
import os import random import torch import numpy as np def init(rank): nranks = 'WORLD_SIZE' in os.environ and int(os.environ['WORLD_SIZE']) nranks = max(1, nranks) is_distributed = nranks > 1 if rank == 0: print('nranks =', nranks, '\t num_gpus =', torch.cuda.device_count()) if is_distributed: num_gpus = torch.cuda.device_count() torch.cuda.set_device(rank % num_gpus) torch.distributed.init_process_group(backend='nccl', init_method='env://') return nranks, is_distributed def barrier(rank): if rank >= 0: torch.distributed.barrier()
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ColBERT-master/colbert/utils/amp.py
import torch from contextlib import contextmanager from colbert.utils.utils import NullContextManager from packaging import version v = version.parse PyTorch_over_1_6 = v(torch.__version__) >= v('1.6') class MixedPrecisionManager(): def __init__(self, activated): assert (not activated) or PyTorch_over_1_6, "Cannot use AMP for PyTorch version < 1.6" self.activated = activated if self.activated: self.scaler = torch.cuda.amp.GradScaler() def context(self): return torch.cuda.amp.autocast() if self.activated else NullContextManager() def backward(self, loss): if self.activated: self.scaler.scale(loss).backward() else: loss.backward() def step(self, colbert, optimizer): if self.activated: self.scaler.unscale_(optimizer) torch.nn.utils.clip_grad_norm_(colbert.parameters(), 2.0) self.scaler.step(optimizer) self.scaler.update() optimizer.zero_grad() else: torch.nn.utils.clip_grad_norm_(colbert.parameters(), 2.0) optimizer.step() optimizer.zero_grad()
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py
ColBERT
ColBERT-master/colbert/ranking/index_part.py
import os import torch import ujson from math import ceil from itertools import accumulate from colbert.utils.utils import print_message, dotdict, flatten from colbert.indexing.loaders import get_parts, load_doclens from colbert.indexing.index_manager import load_index_part from colbert.ranking.index_ranker import IndexRanker class IndexPart(): def __init__(self, directory, dim=128, part_range=None, verbose=True): first_part, last_part = (0, None) if part_range is None else (part_range.start, part_range.stop) # Load parts metadata all_parts, all_parts_paths, _ = get_parts(directory) self.parts = all_parts[first_part:last_part] self.parts_paths = all_parts_paths[first_part:last_part] # Load doclens metadata all_doclens = load_doclens(directory, flatten=False) self.doc_offset = sum([len(part_doclens) for part_doclens in all_doclens[:first_part]]) self.doc_endpos = sum([len(part_doclens) for part_doclens in all_doclens[:last_part]]) self.pids_range = range(self.doc_offset, self.doc_endpos) self.parts_doclens = all_doclens[first_part:last_part] self.doclens = flatten(self.parts_doclens) self.num_embeddings = sum(self.doclens) self.tensor = self._load_parts(dim, verbose) self.ranker = IndexRanker(self.tensor, self.doclens) def _load_parts(self, dim, verbose): tensor = torch.zeros(self.num_embeddings + 512, dim, dtype=torch.float16) if verbose: print_message("tensor.size() = ", tensor.size()) offset = 0 for idx, filename in enumerate(self.parts_paths): print_message("|> Loading", filename, "...", condition=verbose) endpos = offset + sum(self.parts_doclens[idx]) part = load_index_part(filename, verbose=verbose) tensor[offset:endpos] = part offset = endpos return tensor def pid_in_range(self, pid): return pid in self.pids_range def rank(self, Q, pids): """ Rank a single batch of Q x pids (e.g., 1k--10k pairs). """ assert Q.size(0) in [1, len(pids)], (Q.size(0), len(pids)) assert all(pid in self.pids_range for pid in pids), self.pids_range pids_ = [pid - self.doc_offset for pid in pids] scores = self.ranker.rank(Q, pids_) return scores def batch_rank(self, all_query_embeddings, query_indexes, pids, sorted_pids): """ Rank a large, fairly dense set of query--passage pairs (e.g., 1M+ pairs). Higher overhead, much faster for large batches. """ assert ((pids >= self.pids_range.start) & (pids < self.pids_range.stop)).sum() == pids.size(0) pids_ = pids - self.doc_offset scores = self.ranker.batch_rank(all_query_embeddings, query_indexes, pids_, sorted_pids) return scores
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ColBERT
ColBERT-master/colbert/ranking/batch_retrieval.py
import os import time import faiss import random import torch from colbert.utils.runs import Run from multiprocessing import Pool from colbert.modeling.inference import ModelInference from colbert.evaluation.ranking_logger import RankingLogger from colbert.utils.utils import print_message, batch from colbert.ranking.faiss_index import FaissIndex def batch_retrieve(args): assert args.retrieve_only, "TODO: Combine batch (multi-query) retrieval with batch re-ranking" faiss_index = FaissIndex(args.index_path, args.faiss_index_path, args.nprobe, args.part_range) inference = ModelInference(args.colbert, amp=args.amp) ranking_logger = RankingLogger(Run.path, qrels=None) with ranking_logger.context('unordered.tsv', also_save_annotations=False) as rlogger: queries = args.queries qids_in_order = list(queries.keys()) for qoffset, qbatch in batch(qids_in_order, 100_000, provide_offset=True): qbatch_text = [queries[qid] for qid in qbatch] print_message(f"#> Embedding {len(qbatch_text)} queries in parallel...") Q = inference.queryFromText(qbatch_text, bsize=512) print_message("#> Starting batch retrieval...") all_pids = faiss_index.retrieve(args.faiss_depth, Q, verbose=True) # Log the PIDs with rank -1 for all for query_idx, (qid, ranking) in enumerate(zip(qbatch, all_pids)): query_idx = qoffset + query_idx if query_idx % 1000 == 0: print_message(f"#> Logging query #{query_idx} (qid {qid}) now...") ranking = [(None, pid, None) for pid in ranking] rlogger.log(qid, ranking, is_ranked=False) print('\n\n') print(ranking_logger.filename) print("#> Done.") print('\n\n')
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ColBERT
ColBERT-master/colbert/ranking/batch_reranking.py
import os import time import torch import queue import threading from collections import defaultdict from colbert.utils.runs import Run from colbert.modeling.inference import ModelInference from colbert.evaluation.ranking_logger import RankingLogger from colbert.utils.utils import print_message, flatten, zipstar from colbert.indexing.loaders import get_parts from colbert.ranking.index_part import IndexPart MAX_DEPTH_LOGGED = 1000 # TODO: Use args.depth def prepare_ranges(index_path, dim, step, part_range): print_message("#> Launching a separate thread to load index parts asynchronously.") parts, _, _ = get_parts(index_path) positions = [(offset, offset + step) for offset in range(0, len(parts), step)] if part_range is not None: positions = positions[part_range.start: part_range.stop] loaded_parts = queue.Queue(maxsize=2) def _loader_thread(index_path, dim, positions): for offset, endpos in positions: index = IndexPart(index_path, dim=dim, part_range=range(offset, endpos), verbose=True) loaded_parts.put(index, block=True) thread = threading.Thread(target=_loader_thread, args=(index_path, dim, positions,)) thread.start() return positions, loaded_parts, thread def score_by_range(positions, loaded_parts, all_query_embeddings, all_query_rankings, all_pids): print_message("#> Sorting by PID..") all_query_indexes, all_pids = zipstar(all_pids) sorting_pids = torch.tensor(all_pids).sort() all_query_indexes, all_pids = torch.tensor(all_query_indexes)[sorting_pids.indices], sorting_pids.values range_start, range_end = 0, 0 for offset, endpos in positions: print_message(f"#> Fetching parts {offset}--{endpos} from queue..") index = loaded_parts.get() print_message(f"#> Filtering PIDs to the range {index.pids_range}..") range_start = range_start + (all_pids[range_start:] < index.pids_range.start).sum() range_end = range_end + (all_pids[range_end:] < index.pids_range.stop).sum() pids = all_pids[range_start:range_end] query_indexes = all_query_indexes[range_start:range_end] print_message(f"#> Got {len(pids)} query--passage pairs in this range.") if len(pids) == 0: continue print_message(f"#> Ranking in batches the pairs #{range_start} through #{range_end}...") scores = index.batch_rank(all_query_embeddings, query_indexes, pids, sorted_pids=True) for query_index, pid, score in zip(query_indexes.tolist(), pids.tolist(), scores): all_query_rankings[0][query_index].append(pid) all_query_rankings[1][query_index].append(score) def batch_rerank(args): positions, loaded_parts, thread = prepare_ranges(args.index_path, args.dim, args.step, args.part_range) inference = ModelInference(args.colbert, amp=args.amp) queries, topK_pids = args.queries, args.topK_pids with torch.no_grad(): queries_in_order = list(queries.values()) print_message(f"#> Encoding all {len(queries_in_order)} queries in batches...") all_query_embeddings = inference.queryFromText(queries_in_order, bsize=512, to_cpu=True) all_query_embeddings = all_query_embeddings.to(dtype=torch.float16).permute(0, 2, 1).contiguous() for qid in queries: """ Since topK_pids is a defaultdict, make sure each qid *has* actual PID information (even if empty). """ assert qid in topK_pids, qid all_pids = flatten([[(query_index, pid) for pid in topK_pids[qid]] for query_index, qid in enumerate(queries)]) all_query_rankings = [defaultdict(list), defaultdict(list)] print_message(f"#> Will process {len(all_pids)} query--document pairs in total.") with torch.no_grad(): score_by_range(positions, loaded_parts, all_query_embeddings, all_query_rankings, all_pids) ranking_logger = RankingLogger(Run.path, qrels=None, log_scores=args.log_scores) with ranking_logger.context('ranking.tsv', also_save_annotations=False) as rlogger: with torch.no_grad(): for query_index, qid in enumerate(queries): if query_index % 1000 == 0: print_message("#> Logging query #{} (qid {}) now...".format(query_index, qid)) pids = all_query_rankings[0][query_index] scores = all_query_rankings[1][query_index] K = min(MAX_DEPTH_LOGGED, len(scores)) if K == 0: continue scores_topk = torch.tensor(scores).topk(K, largest=True, sorted=True) pids, scores = torch.tensor(pids)[scores_topk.indices].tolist(), scores_topk.values.tolist() ranking = [(score, pid, None) for pid, score in zip(pids, scores)] assert len(ranking) <= MAX_DEPTH_LOGGED, (len(ranking), MAX_DEPTH_LOGGED) rlogger.log(qid, ranking, is_ranked=True, print_positions=[1, 2] if query_index % 100 == 0 else []) print('\n\n') print(ranking_logger.filename) print_message('#> Done.\n') thread.join()
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ColBERT
ColBERT-master/colbert/ranking/index_ranker.py
import os import math import torch import ujson import traceback from itertools import accumulate from colbert.parameters import DEVICE from colbert.utils.utils import print_message, dotdict, flatten BSIZE = 1 << 14 class IndexRanker(): def __init__(self, tensor, doclens): self.tensor = tensor self.doclens = doclens self.maxsim_dtype = torch.float32 self.doclens_pfxsum = [0] + list(accumulate(self.doclens)) self.doclens = torch.tensor(self.doclens) self.doclens_pfxsum = torch.tensor(self.doclens_pfxsum) self.dim = self.tensor.size(-1) self.strides = [torch_percentile(self.doclens, p) for p in [90]] self.strides.append(self.doclens.max().item()) self.strides = sorted(list(set(self.strides))) print_message(f"#> Using strides {self.strides}..") self.views = self._create_views(self.tensor) self.buffers = self._create_buffers(BSIZE, self.tensor.dtype, {'cpu', 'cuda:0'}) def _create_views(self, tensor): views = [] for stride in self.strides: outdim = tensor.size(0) - stride + 1 view = torch.as_strided(tensor, (outdim, stride, self.dim), (self.dim, self.dim, 1)) views.append(view) return views def _create_buffers(self, max_bsize, dtype, devices): buffers = {} for device in devices: buffers[device] = [torch.zeros(max_bsize, stride, self.dim, dtype=dtype, device=device, pin_memory=(device == 'cpu')) for stride in self.strides] return buffers def rank(self, Q, pids, views=None, shift=0): assert len(pids) > 0 assert Q.size(0) in [1, len(pids)] Q = Q.contiguous().to(DEVICE).to(dtype=self.maxsim_dtype) views = self.views if views is None else views VIEWS_DEVICE = views[0].device D_buffers = self.buffers[str(VIEWS_DEVICE)] raw_pids = pids if type(pids) is list else pids.tolist() pids = torch.tensor(pids) if type(pids) is list else pids doclens, offsets = self.doclens[pids], self.doclens_pfxsum[pids] assignments = (doclens.unsqueeze(1) > torch.tensor(self.strides).unsqueeze(0) + 1e-6).sum(-1) one_to_n = torch.arange(len(raw_pids)) output_pids, output_scores, output_permutation = [], [], [] for group_idx, stride in enumerate(self.strides): locator = (assignments == group_idx) if locator.sum() < 1e-5: continue group_pids, group_doclens, group_offsets = pids[locator], doclens[locator], offsets[locator] group_Q = Q if Q.size(0) == 1 else Q[locator] group_offsets = group_offsets.to(VIEWS_DEVICE) - shift group_offsets_uniq, group_offsets_expand = torch.unique_consecutive(group_offsets, return_inverse=True) D_size = group_offsets_uniq.size(0) D = torch.index_select(views[group_idx], 0, group_offsets_uniq, out=D_buffers[group_idx][:D_size]) D = D.to(DEVICE) D = D[group_offsets_expand.to(DEVICE)].to(dtype=self.maxsim_dtype) mask = torch.arange(stride, device=DEVICE) + 1 mask = mask.unsqueeze(0) <= group_doclens.to(DEVICE).unsqueeze(-1) scores = (D @ group_Q) * mask.unsqueeze(-1) scores = scores.max(1).values.sum(-1).cpu() output_pids.append(group_pids) output_scores.append(scores) output_permutation.append(one_to_n[locator]) output_permutation = torch.cat(output_permutation).sort().indices output_pids = torch.cat(output_pids)[output_permutation].tolist() output_scores = torch.cat(output_scores)[output_permutation].tolist() assert len(raw_pids) == len(output_pids) assert len(raw_pids) == len(output_scores) assert raw_pids == output_pids return output_scores def batch_rank(self, all_query_embeddings, all_query_indexes, all_pids, sorted_pids): assert sorted_pids is True ###### scores = [] range_start, range_end = 0, 0 for pid_offset in range(0, len(self.doclens), 50_000): pid_endpos = min(pid_offset + 50_000, len(self.doclens)) range_start = range_start + (all_pids[range_start:] < pid_offset).sum() range_end = range_end + (all_pids[range_end:] < pid_endpos).sum() pids = all_pids[range_start:range_end] query_indexes = all_query_indexes[range_start:range_end] print_message(f"###--> Got {len(pids)} query--passage pairs in this sub-range {(pid_offset, pid_endpos)}.") if len(pids) == 0: continue print_message(f"###--> Ranking in batches the pairs #{range_start} through #{range_end} in this sub-range.") tensor_offset = self.doclens_pfxsum[pid_offset].item() tensor_endpos = self.doclens_pfxsum[pid_endpos].item() + 512 collection = self.tensor[tensor_offset:tensor_endpos].to(DEVICE) views = self._create_views(collection) print_message(f"#> Ranking in batches of {BSIZE} query--passage pairs...") for batch_idx, offset in enumerate(range(0, len(pids), BSIZE)): if batch_idx % 100 == 0: print_message("#> Processing batch #{}..".format(batch_idx)) endpos = offset + BSIZE batch_query_index, batch_pids = query_indexes[offset:endpos], pids[offset:endpos] Q = all_query_embeddings[batch_query_index] scores.extend(self.rank(Q, batch_pids, views, shift=tensor_offset)) return scores def torch_percentile(tensor, p): assert p in range(1, 100+1) assert tensor.dim() == 1 return tensor.kthvalue(int(p * tensor.size(0) / 100.0)).values.item()
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120
py
ColBERT
ColBERT-master/colbert/ranking/retrieval.py
import os import time import faiss import random import torch import itertools from colbert.utils.runs import Run from multiprocessing import Pool from colbert.modeling.inference import ModelInference from colbert.evaluation.ranking_logger import RankingLogger from colbert.utils.utils import print_message, batch from colbert.ranking.rankers import Ranker def retrieve(args): inference = ModelInference(args.colbert, amp=args.amp) ranker = Ranker(args, inference, faiss_depth=args.faiss_depth) ranking_logger = RankingLogger(Run.path, qrels=None) milliseconds = 0 with ranking_logger.context('ranking.tsv', also_save_annotations=False) as rlogger: queries = args.queries qids_in_order = list(queries.keys()) for qoffset, qbatch in batch(qids_in_order, 100, provide_offset=True): qbatch_text = [queries[qid] for qid in qbatch] rankings = [] for query_idx, q in enumerate(qbatch_text): torch.cuda.synchronize('cuda:0') s = time.time() Q = ranker.encode([q]) pids, scores = ranker.rank(Q) torch.cuda.synchronize() milliseconds += (time.time() - s) * 1000.0 if len(pids): print(qoffset+query_idx, q, len(scores), len(pids), scores[0], pids[0], milliseconds / (qoffset+query_idx+1), 'ms') rankings.append(zip(pids, scores)) for query_idx, (qid, ranking) in enumerate(zip(qbatch, rankings)): query_idx = qoffset + query_idx if query_idx % 100 == 0: print_message(f"#> Logging query #{query_idx} (qid {qid}) now...") ranking = [(score, pid, None) for pid, score in itertools.islice(ranking, args.depth)] rlogger.log(qid, ranking, is_ranked=True) print('\n\n') print(ranking_logger.filename) print("#> Done.") print('\n\n')
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ColBERT
ColBERT-master/colbert/ranking/reranking.py
import os import time import faiss import random import torch from colbert.utils.runs import Run from multiprocessing import Pool from colbert.modeling.inference import ModelInference from colbert.evaluation.ranking_logger import RankingLogger from colbert.utils.utils import print_message, batch from colbert.ranking.rankers import Ranker def rerank(args): inference = ModelInference(args.colbert, amp=args.amp) ranker = Ranker(args, inference, faiss_depth=None) ranking_logger = RankingLogger(Run.path, qrels=None) milliseconds = 0 with ranking_logger.context('ranking.tsv', also_save_annotations=False) as rlogger: queries = args.queries qids_in_order = list(queries.keys()) for qoffset, qbatch in batch(qids_in_order, 100, provide_offset=True): qbatch_text = [queries[qid] for qid in qbatch] qbatch_pids = [args.topK_pids[qid] for qid in qbatch] rankings = [] for query_idx, (q, pids) in enumerate(zip(qbatch_text, qbatch_pids)): torch.cuda.synchronize('cuda:0') s = time.time() Q = ranker.encode([q]) pids, scores = ranker.rank(Q, pids=pids) torch.cuda.synchronize() milliseconds += (time.time() - s) * 1000.0 if len(pids): print(qoffset+query_idx, q, len(scores), len(pids), scores[0], pids[0], milliseconds / (qoffset+query_idx+1), 'ms') rankings.append(zip(pids, scores)) for query_idx, (qid, ranking) in enumerate(zip(qbatch, rankings)): query_idx = qoffset + query_idx if query_idx % 100 == 0: print_message(f"#> Logging query #{query_idx} (qid {qid}) now...") ranking = [(score, pid, None) for pid, score in ranking] rlogger.log(qid, ranking, is_ranked=True) print('\n\n') print(ranking_logger.filename) print("#> Done.") print('\n\n')
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ColBERT
ColBERT-master/colbert/ranking/faiss_index.py
import os import time import faiss import random import torch from multiprocessing import Pool from colbert.modeling.inference import ModelInference from colbert.utils.utils import print_message, flatten, batch from colbert.indexing.loaders import load_doclens class FaissIndex(): def __init__(self, index_path, faiss_index_path, nprobe, part_range=None): print_message("#> Loading the FAISS index from", faiss_index_path, "..") faiss_part_range = os.path.basename(faiss_index_path).split('.')[-2].split('-') if len(faiss_part_range) == 2: faiss_part_range = range(*map(int, faiss_part_range)) assert part_range[0] in faiss_part_range, (part_range, faiss_part_range) assert part_range[-1] in faiss_part_range, (part_range, faiss_part_range) else: faiss_part_range = None self.part_range = part_range self.faiss_part_range = faiss_part_range self.faiss_index = faiss.read_index(faiss_index_path) self.faiss_index.nprobe = nprobe print_message("#> Building the emb2pid mapping..") all_doclens = load_doclens(index_path, flatten=False) pid_offset = 0 if faiss_part_range is not None: print(f"#> Restricting all_doclens to the range {faiss_part_range}.") pid_offset = len(flatten(all_doclens[:faiss_part_range.start])) all_doclens = all_doclens[faiss_part_range.start:faiss_part_range.stop] self.relative_range = None if self.part_range is not None: start = self.faiss_part_range.start if self.faiss_part_range is not None else 0 a = len(flatten(all_doclens[:self.part_range.start - start])) b = len(flatten(all_doclens[:self.part_range.stop - start])) self.relative_range = range(a, b) print(f"self.relative_range = {self.relative_range}") all_doclens = flatten(all_doclens) total_num_embeddings = sum(all_doclens) self.emb2pid = torch.zeros(total_num_embeddings, dtype=torch.int) offset_doclens = 0 for pid, dlength in enumerate(all_doclens): self.emb2pid[offset_doclens: offset_doclens + dlength] = pid_offset + pid offset_doclens += dlength print_message("len(self.emb2pid) =", len(self.emb2pid)) self.parallel_pool = Pool(16) def retrieve(self, faiss_depth, Q, verbose=False): embedding_ids = self.queries_to_embedding_ids(faiss_depth, Q, verbose=verbose) pids = self.embedding_ids_to_pids(embedding_ids, verbose=verbose) if self.relative_range is not None: pids = [[pid for pid in pids_ if pid in self.relative_range] for pids_ in pids] return pids def queries_to_embedding_ids(self, faiss_depth, Q, verbose=True): # Flatten into a matrix for the faiss search. num_queries, embeddings_per_query, dim = Q.size() Q_faiss = Q.view(num_queries * embeddings_per_query, dim).cpu().contiguous() # Search in large batches with faiss. print_message("#> Search in batches with faiss. \t\t", f"Q.size() = {Q.size()}, Q_faiss.size() = {Q_faiss.size()}", condition=verbose) embeddings_ids = [] faiss_bsize = embeddings_per_query * 5000 for offset in range(0, Q_faiss.size(0), faiss_bsize): endpos = min(offset + faiss_bsize, Q_faiss.size(0)) print_message("#> Searching from {} to {}...".format(offset, endpos), condition=verbose) some_Q_faiss = Q_faiss[offset:endpos].float().numpy() _, some_embedding_ids = self.faiss_index.search(some_Q_faiss, faiss_depth) embeddings_ids.append(torch.from_numpy(some_embedding_ids)) embedding_ids = torch.cat(embeddings_ids) # Reshape to (number of queries, non-unique embedding IDs per query) embedding_ids = embedding_ids.view(num_queries, embeddings_per_query * embedding_ids.size(1)) return embedding_ids def embedding_ids_to_pids(self, embedding_ids, verbose=True): # Find unique PIDs per query. print_message("#> Lookup the PIDs..", condition=verbose) all_pids = self.emb2pid[embedding_ids] print_message(f"#> Converting to a list [shape = {all_pids.size()}]..", condition=verbose) all_pids = all_pids.tolist() print_message("#> Removing duplicates (in parallel if large enough)..", condition=verbose) if len(all_pids) > 5000: all_pids = list(self.parallel_pool.map(uniq, all_pids)) else: all_pids = list(map(uniq, all_pids)) print_message("#> Done with embedding_ids_to_pids().", condition=verbose) return all_pids def uniq(l): return list(set(l))
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101
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ColBERT
ColBERT-master/colbert/ranking/rankers.py
import torch from functools import partial from colbert.ranking.index_part import IndexPart from colbert.ranking.faiss_index import FaissIndex from colbert.utils.utils import flatten, zipstar class Ranker(): def __init__(self, args, inference, faiss_depth=1024): self.inference = inference self.faiss_depth = faiss_depth if faiss_depth is not None: self.faiss_index = FaissIndex(args.index_path, args.faiss_index_path, args.nprobe, part_range=args.part_range) self.retrieve = partial(self.faiss_index.retrieve, self.faiss_depth) self.index = IndexPart(args.index_path, dim=inference.colbert.dim, part_range=args.part_range, verbose=True) def encode(self, queries): assert type(queries) in [list, tuple], type(queries) Q = self.inference.queryFromText(queries, bsize=512 if len(queries) > 512 else None) return Q def rank(self, Q, pids=None): pids = self.retrieve(Q, verbose=False)[0] if pids is None else pids assert type(pids) in [list, tuple], type(pids) assert Q.size(0) == 1, (len(pids), Q.size()) assert all(type(pid) is int for pid in pids) scores = [] if len(pids) > 0: Q = Q.permute(0, 2, 1) scores = self.index.rank(Q, pids) scores_sorter = torch.tensor(scores).sort(descending=True) pids, scores = torch.tensor(pids)[scores_sorter.indices].tolist(), scores_sorter.values.tolist() return pids, scores
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122
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ColBERT
ColBERT-master/colbert/modeling/inference.py
import torch from colbert.modeling.colbert import ColBERT from colbert.modeling.tokenization import QueryTokenizer, DocTokenizer from colbert.utils.amp import MixedPrecisionManager from colbert.parameters import DEVICE class ModelInference(): def __init__(self, colbert: ColBERT, amp=False): assert colbert.training is False self.colbert = colbert self.query_tokenizer = QueryTokenizer(colbert.query_maxlen) self.doc_tokenizer = DocTokenizer(colbert.doc_maxlen) self.amp_manager = MixedPrecisionManager(amp) def query(self, *args, to_cpu=False, **kw_args): with torch.no_grad(): with self.amp_manager.context(): Q = self.colbert.query(*args, **kw_args) return Q.cpu() if to_cpu else Q def doc(self, *args, to_cpu=False, **kw_args): with torch.no_grad(): with self.amp_manager.context(): D = self.colbert.doc(*args, **kw_args) return D.cpu() if to_cpu else D def queryFromText(self, queries, bsize=None, to_cpu=False): if bsize: batches = self.query_tokenizer.tensorize(queries, bsize=bsize) batches = [self.query(input_ids, attention_mask, to_cpu=to_cpu) for input_ids, attention_mask in batches] return torch.cat(batches) input_ids, attention_mask = self.query_tokenizer.tensorize(queries) return self.query(input_ids, attention_mask) def docFromText(self, docs, bsize=None, keep_dims=True, to_cpu=False): if bsize: batches, reverse_indices = self.doc_tokenizer.tensorize(docs, bsize=bsize) batches = [self.doc(input_ids, attention_mask, keep_dims=keep_dims, to_cpu=to_cpu) for input_ids, attention_mask in batches] if keep_dims: D = _stack_3D_tensors(batches) return D[reverse_indices] D = [d for batch in batches for d in batch] return [D[idx] for idx in reverse_indices.tolist()] input_ids, attention_mask = self.doc_tokenizer.tensorize(docs) return self.doc(input_ids, attention_mask, keep_dims=keep_dims) def score(self, Q, D, mask=None, lengths=None, explain=False): if lengths is not None: assert mask is None, "don't supply both mask and lengths" mask = torch.arange(D.size(1), device=DEVICE) + 1 mask = mask.unsqueeze(0) <= lengths.to(DEVICE).unsqueeze(-1) scores = (D @ Q) scores = scores if mask is None else scores * mask.unsqueeze(-1) scores = scores.max(1) if explain: assert False, "TODO" return scores.values.sum(-1).cpu() def _stack_3D_tensors(groups): bsize = sum([x.size(0) for x in groups]) maxlen = max([x.size(1) for x in groups]) hdim = groups[0].size(2) output = torch.zeros(bsize, maxlen, hdim, device=groups[0].device, dtype=groups[0].dtype) offset = 0 for x in groups: endpos = offset + x.size(0) output[offset:endpos, :x.size(1)] = x offset = endpos return output
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ColBERT
ColBERT-master/colbert/modeling/colbert.py
import string import torch import torch.nn as nn from transformers import BertPreTrainedModel, BertModel, BertTokenizerFast from colbert.parameters import DEVICE class ColBERT(BertPreTrainedModel): def __init__(self, config, query_maxlen, doc_maxlen, mask_punctuation, dim=128, similarity_metric='cosine'): super(ColBERT, self).__init__(config) self.query_maxlen = query_maxlen self.doc_maxlen = doc_maxlen self.similarity_metric = similarity_metric self.dim = dim self.mask_punctuation = mask_punctuation self.skiplist = {} if self.mask_punctuation: self.tokenizer = BertTokenizerFast.from_pretrained('bert-base-uncased') self.skiplist = {w: True for symbol in string.punctuation for w in [symbol, self.tokenizer.encode(symbol, add_special_tokens=False)[0]]} self.bert = BertModel(config) self.linear = nn.Linear(config.hidden_size, dim, bias=False) self.init_weights() def forward(self, Q, D): return self.score(self.query(*Q), self.doc(*D)) def query(self, input_ids, attention_mask): input_ids, attention_mask = input_ids.to(DEVICE), attention_mask.to(DEVICE) Q = self.bert(input_ids, attention_mask=attention_mask)[0] Q = self.linear(Q) return torch.nn.functional.normalize(Q, p=2, dim=2) def doc(self, input_ids, attention_mask, keep_dims=True): input_ids, attention_mask = input_ids.to(DEVICE), attention_mask.to(DEVICE) D = self.bert(input_ids, attention_mask=attention_mask)[0] D = self.linear(D) mask = torch.tensor(self.mask(input_ids), device=DEVICE).unsqueeze(2).float() D = D * mask D = torch.nn.functional.normalize(D, p=2, dim=2) if not keep_dims: D, mask = D.cpu().to(dtype=torch.float16), mask.cpu().bool().squeeze(-1) D = [d[mask[idx]] for idx, d in enumerate(D)] return D def score(self, Q, D): if self.similarity_metric == 'cosine': return (Q @ D.permute(0, 2, 1)).max(2).values.sum(1) assert self.similarity_metric == 'l2' return (-1.0 * ((Q.unsqueeze(2) - D.unsqueeze(1))**2).sum(-1)).max(-1).values.sum(-1) def mask(self, input_ids): mask = [[(x not in self.skiplist) and (x != 0) for x in d] for d in input_ids.cpu().tolist()] return mask
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