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DeCrisisMB: Debiased Semi-Supervised Learning for Crisis Tweet Classification via Memory Bank | During crisis events, people often use social media platforms such as Twitter
to disseminate information about the situation, warnings, advice, and support.
Emergency relief organizations leverage such information to acquire timely
crisis circumstances and expedite rescue operations. While existing works
utilize such information to build models for crisis event analysis,
fully-supervised approaches require annotating vast amounts of data and are
impractical due to limited response time. On the other hand, semi-supervised
models can be biased, performing moderately well for certain classes while
performing extremely poorly for others, resulting in substantially negative
effects on disaster monitoring and rescue. In this paper, we first study two
recent debiasing methods on semi-supervised crisis tweet classification. Then
we propose a simple but effective debiasing method, DeCrisisMB, that utilizes a
Memory Bank to store and perform equal sampling for generated pseudo-labels
from each class at each training iteration. Extensive experiments are conducted
to compare different debiasing methods' performance and generalization ability
in both in-distribution and out-of-distribution settings. The results
demonstrate the superior performance of our proposed method. Our code is
available at https://github.com/HenryPengZou/DeCrisisMB. | [
"Henry Peng Zou",
"Yue Zhou",
"Weizhi Zhang",
"Cornelia Caragea"
] | 2023-10-23 05:25:51 | http://arxiv.org/abs/2310.14577v1 | http://arxiv.org/pdf/2310.14577v1 | 2310.14577v1 |
Tensor Decomposition Based Attention Module for Spiking Neural Networks | The attention mechanism has been proven to be an effective way to improve
spiking neural network (SNN). However, based on the fact that the current SNN
input data flow is split into tensors to process on GPUs, none of the previous
works consider the properties of tensors to implement an attention module. This
inspires us to rethink current SNN from the perspective of tensor-relevant
theories. Using tensor decomposition, we design the \textit{projected full
attention} (PFA) module, which demonstrates excellent results with linearly
growing parameters. Specifically, PFA is composed by the \textit{linear
projection of spike tensor} (LPST) module and \textit{attention map composing}
(AMC) module. In LPST, we start by compressing the original spike tensor into
three projected tensors using a single property-preserving strategy with
learnable parameters for each dimension. Then, in AMC, we exploit the inverse
procedure of the tensor decomposition process to combine the three tensors into
the attention map using a so-called connecting factor. To validate the
effectiveness of the proposed PFA module, we integrate it into the widely used
VGG and ResNet architectures for classification tasks. Our method achieves
state-of-the-art performance on both static and dynamic benchmark datasets,
surpassing the existing SNN models with Transformer-based and CNN-based
backbones. | [
"Haoyu Deng",
"Ruijie Zhu",
"Xuerui Qiu",
"Yule Duan",
"Malu Zhang",
"Liangjian Deng"
] | 2023-10-23 05:25:49 | http://arxiv.org/abs/2310.14576v1 | http://arxiv.org/pdf/2310.14576v1 | 2310.14576v1 |
Modeling groundwater levels in California's Central Valley by hierarchical Gaussian process and neural network regression | Modeling groundwater levels continuously across California's Central Valley
(CV) hydrological system is challenging due to low-quality well data which is
sparsely and noisily sampled across time and space. A novel machine learning
method is proposed for modeling groundwater levels by learning from a 3D
lithological texture model of the CV aquifer. The proposed formulation performs
multivariate regression by combining Gaussian processes (GP) and deep neural
networks (DNN). Proposed hierarchical modeling approach constitutes training
the DNN to learn a lithologically informed latent space where non-parametric
regression with GP is performed. The methodology is applied for modeling
groundwater levels across the CV during 2015 - 2020. We demonstrate the
efficacy of GP-DNN regression for modeling non-stationary features in the well
data with fast and reliable uncertainty quantification. Our results indicate
that the 2017 and 2019 wet years in California were largely ineffective in
replenishing the groundwater loss caused during previous drought years. | [
"Anshuman Pradhan",
"Kyra H. Adams",
"Venkat Chandrasekaran",
"Zhen Liu",
"John T. Reager",
"Andrew M. Stuart",
"Michael J. Turmon"
] | 2023-10-23 04:21:26 | http://arxiv.org/abs/2310.14555v1 | http://arxiv.org/pdf/2310.14555v1 | 2310.14555v1 |
Making RL with Preference-based Feedback Efficient via Randomization | Reinforcement Learning algorithms that learn from human feedback (RLHF) need
to be efficient in terms of statistical complexity, computational complexity,
and query complexity. In this work, we consider the RLHF setting where the
feedback is given in the format of preferences over pairs of trajectories. In
the linear MDP model, by using randomization in algorithm design, we present an
algorithm that is sample efficient (i.e., has near-optimal worst-case regret
bounds) and has polynomial running time (i.e., computational complexity is
polynomial with respect to relevant parameters). Our algorithm further
minimizes the query complexity through a novel randomized active learning
procedure. In particular, our algorithm demonstrates a near-optimal tradeoff
between the regret bound and the query complexity. To extend the results to
more general nonlinear function approximation, we design a model-based
randomized algorithm inspired by the idea of Thompson sampling. Our algorithm
minimizes Bayesian regret bound and query complexity, again achieving a
near-optimal tradeoff between these two quantities. Computation-wise, similar
to the prior Thompson sampling algorithms under the regular RL setting, the
main computation primitives of our algorithm are Bayesian supervised learning
oracles which have been heavily investigated on the empirical side when
applying Thompson sampling algorithms to RL benchmark problems. | [
"Runzhe Wu",
"Wen Sun"
] | 2023-10-23 04:19:35 | http://arxiv.org/abs/2310.14554v1 | http://arxiv.org/pdf/2310.14554v1 | 2310.14554v1 |
KindMed: Knowledge-Induced Medicine Prescribing Network for Medication Recommendation | Extensive adoption of electronic health records (EHRs) offers opportunities
for its use in various clinical analyses. We could acquire more comprehensive
insights by enriching an EHR cohort with external knowledge (e.g., standardized
medical ontology and wealthy semantics curated on the web) as it divulges a
spectrum of informative relations between observed medical codes. This paper
proposes a novel Knowledge-Induced Medicine Prescribing Network (KindMed)
framework to recommend medicines by inducing knowledge from myriad
medical-related external sources upon the EHR cohort, rendering them as medical
knowledge graphs (KGs). On top of relation-aware graph representation learning
to unravel an adequate embedding of such KGs, we leverage hierarchical sequence
learning to discover and fuse clinical and medicine temporal dynamics across
patients' historical admissions for encouraging personalized recommendations.
In predicting safe, precise, and personalized medicines, we devise an attentive
prescribing that accounts for and associates three essential aspects, i.e., a
summary of joint historical medical records, clinical condition progression,
and the current clinical state of patients. We exhibited the effectiveness of
our KindMed on the augmented real-world EHR cohorts, etching leading
performances against graph-driven competing baselines. | [
"Ahmad Wisnu Mulyadi",
"Heung-Il Suk"
] | 2023-10-23 04:15:39 | http://arxiv.org/abs/2310.14552v1 | http://arxiv.org/pdf/2310.14552v1 | 2310.14552v1 |
Corruption-Robust Offline Reinforcement Learning with General Function Approximation | We investigate the problem of corruption robustness in offline reinforcement
learning (RL) with general function approximation, where an adversary can
corrupt each sample in the offline dataset, and the corruption level
$\zeta\geq0$ quantifies the cumulative corruption amount over $n$ episodes and
$H$ steps. Our goal is to find a policy that is robust to such corruption and
minimizes the suboptimality gap with respect to the optimal policy for the
uncorrupted Markov decision processes (MDPs). Drawing inspiration from the
uncertainty-weighting technique from the robust online RL setting
\citep{he2022nearly,ye2022corruptionrobust}, we design a new uncertainty weight
iteration procedure to efficiently compute on batched samples and propose a
corruption-robust algorithm for offline RL. Notably, under the assumption of
single policy coverage and the knowledge of $\zeta$, our proposed algorithm
achieves a suboptimality bound that is worsened by an additive factor of
$\mathcal O(\zeta \cdot (\text{CC}(\lambda,\hat{\mathcal F},\mathcal
Z_n^H))^{1/2} (C(\hat{\mathcal F},\mu))^{-1/2} n^{-1})$ due to the corruption.
Here $\text{CC}(\lambda,\hat{\mathcal F},\mathcal Z_n^H)$ is the coverage
coefficient that depends on the regularization parameter $\lambda$, the
confidence set $\hat{\mathcal F}$, and the dataset $\mathcal Z_n^H$, and
$C(\hat{\mathcal F},\mu)$ is a coefficient that depends on $\hat{\mathcal F}$
and the underlying data distribution $\mu$. When specialized to linear MDPs,
the corruption-dependent error term reduces to $\mathcal O(\zeta d n^{-1})$
with $d$ being the dimension of the feature map, which matches the existing
lower bound for corrupted linear MDPs. This suggests that our analysis is tight
in terms of the corruption-dependent term. | [
"Chenlu Ye",
"Rui Yang",
"Quanquan Gu",
"Tong Zhang"
] | 2023-10-23 04:07:26 | http://arxiv.org/abs/2310.14550v1 | http://arxiv.org/pdf/2310.14550v1 | 2310.14550v1 |
Multimodal Graph Learning for Modeling Emerging Pandemics with Big Data | Accurate forecasting and analysis of emerging pandemics play a crucial role
in effective public health management and decision-making. Traditional
approaches primarily rely on epidemiological data, overlooking other valuable
sources of information that could act as sensors or indicators of pandemic
patterns. In this paper, we propose a novel framework called MGL4MEP that
integrates temporal graph neural networks and multi-modal data for learning and
forecasting. We incorporate big data sources, including social media content,
by utilizing specific pre-trained language models and discovering the
underlying graph structure among users. This integration provides rich
indicators of pandemic dynamics through learning with temporal graph neural
networks. Extensive experiments demonstrate the effectiveness of our framework
in pandemic forecasting and analysis, outperforming baseline methods across
different areas, pandemic situations, and prediction horizons. The fusion of
temporal graph learning and multi-modal data enables a comprehensive
understanding of the pandemic landscape with less time lag, cheap cost, and
more potential information indicators. | [
"Khanh-Tung Tran",
"Truong Son Hy",
"Lili Jiang",
"Xuan-Son Vu"
] | 2023-10-23 04:05:19 | http://arxiv.org/abs/2310.14549v1 | http://arxiv.org/pdf/2310.14549v1 | 2310.14549v1 |
Trigonometric Quadrature Fourier Features for Scalable Gaussian Process Regression | Fourier feature approximations have been successfully applied in the
literature for scalable Gaussian Process (GP) regression. In particular,
Quadrature Fourier Features (QFF) derived from Gaussian quadrature rules have
gained popularity in recent years due to their improved approximation accuracy
and better calibrated uncertainty estimates compared to Random Fourier Feature
(RFF) methods. However, a key limitation of QFF is that its performance can
suffer from well-known pathologies related to highly oscillatory quadrature,
resulting in mediocre approximation with limited features. We address this
critical issue via a new Trigonometric Quadrature Fourier Feature (TQFF)
method, which uses a novel non-Gaussian quadrature rule specifically tailored
for the desired Fourier transform. We derive an exact quadrature rule for TQFF,
along with kernel approximation error bounds for the resulting feature map. We
then demonstrate the improved performance of our method over RFF and Gaussian
QFF in a suite of numerical experiments and applications, and show the TQFF
enjoys accurate GP approximations over a broad range of length-scales using
fewer features. | [
"Kevin Li",
"Max Balakirsky",
"Simon Mak"
] | 2023-10-23 03:53:09 | http://arxiv.org/abs/2310.14544v1 | http://arxiv.org/pdf/2310.14544v1 | 2310.14544v1 |
Context-Aware Prediction of User Engagement on Online Social Platforms | The success of online social platforms hinges on their ability to predict and
understand user behavior at scale. Here, we present data suggesting that
context-aware modeling approaches may offer a holistic yet lightweight and
potentially privacy-preserving representation of user engagement on online
social platforms. Leveraging deep LSTM neural networks to analyze more than 100
million Snapchat sessions from almost 80.000 users, we demonstrate that
patterns of active and passive use are predictable from past behavior
(R2=0.345) and that the integration of context information substantially
improves predictive performance compared to the behavioral baseline model
(R2=0.522). Features related to smartphone connectivity status, location,
temporal context, and weather were found to capture non-redundant variance in
user engagement relative to features derived from histories of in-app
behaviors. Further, we show that a large proportion of variance can be
accounted for with minimal behavioral histories if momentary context
information is considered (R2=0.44). These results indicate the potential of
context-aware approaches for making models more efficient and
privacy-preserving by reducing the need for long data histories. Finally, we
employ model explainability techniques to glean preliminary insights into the
underlying behavioral mechanisms. Our findings are consistent with the notion
of context-contingent, habit-driven patterns of active and passive use,
underscoring the value of contextualized representations of user behavior for
predicting user engagement on social platforms. | [
"Heinrich Peters",
"Yozen Liu",
"Francesco Barbieri",
"Raiyan A. Baten",
"Sandra C. Matz",
"Maarten W. Bos"
] | 2023-10-23 03:36:35 | http://arxiv.org/abs/2310.14533v1 | http://arxiv.org/pdf/2310.14533v1 | 2310.14533v1 |
Marginal Nodes Matter: Towards Structure Fairness in Graphs | In social network, a person located at the periphery region (marginal node)
is likely to be treated unfairly when compared with the persons at the center.
While existing fairness works on graphs mainly focus on protecting sensitive
attributes (e.g., age and gender), the fairness incurred by the graph structure
should also be given attention. On the other hand, the information aggregation
mechanism of graph neural networks amplifies such structure unfairness, as
marginal nodes are often far away from other nodes. In this paper, we focus on
novel fairness incurred by the graph structure on graph neural networks, named
\emph{structure fairness}. Specifically, we first analyzed multiple graphs and
observed that marginal nodes in graphs have a worse performance of downstream
tasks than others in graph neural networks. Motivated by the observation, we
propose \textbf{S}tructural \textbf{Fair} \textbf{G}raph \textbf{N}eural
\textbf{N}etwork (SFairGNN), which combines neighborhood expansion based
structure debiasing with hop-aware attentive information aggregation to achieve
structure fairness. Our experiments show \SFairGNN can significantly improve
structure fairness while maintaining overall performance in the downstream
tasks. | [
"Xiaotian Han",
"Kaixiong Zhou",
"Ting-Hsiang Wang",
"Jundong Li",
"Fei Wang",
"Na Zou"
] | 2023-10-23 03:20:32 | http://arxiv.org/abs/2310.14527v1 | http://arxiv.org/pdf/2310.14527v1 | 2310.14527v1 |
Towards Zero Shot Learning in Restless Multi-armed Bandits | Restless multi-arm bandits (RMABs), a class of resource allocation problems
with broad application in areas such as healthcare, online advertising, and
anti-poaching, have recently been studied from a multi-agent reinforcement
learning perspective. Prior RMAB research suffers from several limitations,
e.g., it fails to adequately address continuous states, and requires retraining
from scratch when arms opt-in and opt-out over time, a common challenge in many
real world applications. We address these limitations by developing a neural
network-based pre-trained model (PreFeRMAB) that has general zero-shot ability
on a wide range of previously unseen RMABs, and which can be fine-tuned on
specific instances in a more sample-efficient way than retraining from scratch.
Our model also accommodates general multi-action settings and discrete or
continuous state spaces. To enable fast generalization, we learn a novel single
policy network model that utilizes feature information and employs a training
procedure in which arms opt-in and out over time. We derive a new update rule
for a crucial $\lambda$-network with theoretical convergence guarantees and
empirically demonstrate the advantages of our approach on several challenging,
real-world inspired problems. | [
"Yunfan Zhao",
"Nikhil Behari",
"Edward Hughes",
"Edwin Zhang",
"Dheeraj Nagaraj",
"Karl Tuyls",
"Aparna Taneja",
"Milind Tambe"
] | 2023-10-23 03:16:32 | http://arxiv.org/abs/2310.14526v1 | http://arxiv.org/pdf/2310.14526v1 | 2310.14526v1 |
Do We Really Need Contrastive Learning for Graph Representation? | In recent years, contrastive learning has emerged as a dominant
self-supervised paradigm, attracting numerous research interests in the field
of graph learning. Graph contrastive learning (GCL) aims to embed augmented
anchor samples close to each other while pushing the embeddings of other
samples (negative samples) apart. However, existing GCL methods require large
and diverse negative samples to ensure the quality of embeddings, and recent
studies typically leverage samples excluding the anchor and positive samples as
negative samples, potentially introducing false negative samples (negatives
that share the same class as the anchor). Additionally, this practice can
result in heavy computational burden and high time complexity of $O(N^2)$,
which is particularly unaffordable for large graphs. To address these
deficiencies, we leverage rank learning and propose a simple yet effective
model, GraphRank. Specifically, we first generate two graph views through
corruption. Then, we compute the similarity of pairwise nodes (anchor node and
positive node) in both views, an arbitrary node in the latter view is selected
as a negative node, and its similarity with the anchor node is computed. Based
on this, we introduce rank-based learning to measure similarity scores which
successfully relieve the false negative provlem and decreases the time
complexity from $O(N^2)$ to $O(N)$. Moreover, we conducted extensive
experiments across multiple graph tasks, demonstrating that GraphRank performs
favorably against other cutting-edge GCL methods in various tasks. | [
"Yulan Hu",
"Sheng Ouyang",
"Jingyu Liu",
"Ge Chen",
"Zhirui Yang",
"Junchen Wan",
"Fuzheng Zhang",
"Zhongyuan Wang",
"Yong Liu"
] | 2023-10-23 03:15:57 | http://arxiv.org/abs/2310.14525v1 | http://arxiv.org/pdf/2310.14525v1 | 2310.14525v1 |
K-Nearest-Neighbors Induced Topological PCA for scRNA Sequence Data Analysis | Single-cell RNA sequencing (scRNA-seq) is widely used to reveal heterogeneity
in cells, which has given us insights into cell-cell communication, cell
differentiation, and differential gene expression. However, analyzing scRNA-seq
data is a challenge due to sparsity and the large number of genes involved.
Therefore, dimensionality reduction and feature selection are important for
removing spurious signals and enhancing downstream analysis. Traditional PCA, a
main workhorse in dimensionality reduction, lacks the ability to capture
geometrical structure information embedded in the data, and previous graph
Laplacian regularizations are limited by the analysis of only a single scale.
We propose a topological Principal Components Analysis (tPCA) method by the
combination of persistent Laplacian (PL) technique and L$_{2,1}$ norm
regularization to address multiscale and multiclass heterogeneity issues in
data. We further introduce a k-Nearest-Neighbor (kNN) persistent Laplacian
technique to improve the robustness of our persistent Laplacian method. The
proposed kNN-PL is a new algebraic topology technique which addresses the many
limitations of the traditional persistent homology. Rather than inducing
filtration via the varying of a distance threshold, we introduced kNN-tPCA,
where filtrations are achieved by varying the number of neighbors in a kNN
network at each step, and find that this framework has significant implications
for hyper-parameter tuning. We validate the efficacy of our proposed tPCA and
kNN-tPCA methods on 11 diverse benchmark scRNA-seq datasets, and showcase that
our methods outperform other unsupervised PCA enhancements from the literature,
as well as popular Uniform Manifold Approximation (UMAP), t-Distributed
Stochastic Neighbor Embedding (tSNE), and Projection Non-Negative Matrix
Factorization (NMF) by significant margins. | [
"Sean Cottrell",
"Yuta Hozumi",
"Guo-Wei Wei"
] | 2023-10-23 03:07:50 | http://arxiv.org/abs/2310.14521v1 | http://arxiv.org/pdf/2310.14521v1 | 2310.14521v1 |
Poster: Real-Time Object Substitution for Mobile Diminished Reality with Edge Computing | Diminished Reality (DR) is considered as the conceptual counterpart to
Augmented Reality (AR), and has recently gained increasing attention from both
industry and academia. Unlike AR which adds virtual objects to the real world,
DR allows users to remove physical content from the real world. When combined
with object replacement technology, it presents an further exciting avenue for
exploration within the metaverse. Although a few researches have been conducted
on the intersection of object substitution and DR, there is no real-time object
substitution for mobile diminished reality architecture with high quality. In
this paper, we propose an end-to-end architecture to facilitate immersive and
real-time scene construction for mobile devices with edge computing. | [
"Hongyu Ke",
"Haoxin Wang"
] | 2023-10-23 02:47:25 | http://arxiv.org/abs/2310.14511v1 | http://arxiv.org/pdf/2310.14511v1 | 2310.14511v1 |
Iteratively Learn Diverse Strategies with State Distance Information | In complex reinforcement learning (RL) problems, policies with similar
rewards may have substantially different behaviors. It remains a fundamental
challenge to optimize rewards while also discovering as many diverse strategies
as possible, which can be crucial in many practical applications. Our study
examines two design choices for tackling this challenge, i.e., diversity
measure and computation framework. First, we find that with existing diversity
measures, visually indistinguishable policies can still yield high diversity
scores. To accurately capture the behavioral difference, we propose to
incorporate the state-space distance information into the diversity measure. In
addition, we examine two common computation frameworks for this problem, i.e.,
population-based training (PBT) and iterative learning (ITR). We show that
although PBT is the precise problem formulation, ITR can achieve comparable
diversity scores with higher computation efficiency, leading to improved
solution quality in practice. Based on our analysis, we further combine ITR
with two tractable realizations of the state-distance-based diversity measures
and develop a novel diversity-driven RL algorithm, State-based Intrinsic-reward
Policy Optimization (SIPO), with provable convergence properties. We
empirically examine SIPO across three domains from robot locomotion to
multi-agent games. In all of our testing environments, SIPO consistently
produces strategically diverse and human-interpretable policies that cannot be
discovered by existing baselines. | [
"Wei Fu",
"Weihua Du",
"Jingwei Li",
"Sunli Chen",
"Jingzhao Zhang",
"Yi Wu"
] | 2023-10-23 02:41:34 | http://arxiv.org/abs/2310.14509v1 | http://arxiv.org/pdf/2310.14509v1 | 2310.14509v1 |
"Why Should I Review This Paper?" Unifying Semantic, Topic, and Citation Factors for Paper-Reviewer Matching | As many academic conferences are overwhelmed by a rapidly increasing number
of paper submissions, automatically finding appropriate reviewers for each
submission becomes a more urgent need than ever. Various factors have been
considered by previous attempts on this task to measure the expertise relevance
between a paper and a reviewer, including whether the paper is semantically
close to, shares topics with, and cites previous papers of the reviewer.
However, the majority of previous studies take only one of these factors into
account, leading to an incomprehensive evaluation of paper-reviewer relevance.
To bridge this gap, in this paper, we propose a unified model for
paper-reviewer matching that jointly captures semantic, topic, and citation
factors. In the unified model, a contextualized language model backbone is
shared by all factors to learn common knowledge, while instruction tuning is
introduced to characterize the uniqueness of each factor by producing
factor-aware paper embeddings. Experiments on four datasets (one of which is
newly contributed by us) across different fields, including machine learning,
computer vision, information retrieval, and data mining, consistently validate
the effectiveness of our proposed UniPR model in comparison with
state-of-the-art paper-reviewer matching methods and scientific pre-trained
language models. | [
"Yu Zhang",
"Yanzhen Shen",
"Xiusi Chen",
"Bowen Jin",
"Jiawei Han"
] | 2023-10-23 01:29:18 | http://arxiv.org/abs/2310.14483v1 | http://arxiv.org/pdf/2310.14483v1 | 2310.14483v1 |
Efficient Heterogeneous Graph Learning via Random Projection | Heterogeneous Graph Neural Networks (HGNNs) are powerful tools for deep
learning on heterogeneous graphs. Typical HGNNs require repetitive message
passing during training, limiting efficiency for large-scale real-world graphs.
Recent pre-computation-based HGNNs use one-time message passing to transform a
heterogeneous graph into regular-shaped tensors, enabling efficient mini-batch
training. Existing pre-computation-based HGNNs can be mainly categorized into
two styles, which differ in how much information loss is allowed and
efficiency. We propose a hybrid pre-computation-based HGNN, named Random
Projection Heterogeneous Graph Neural Network (RpHGNN), which combines the
benefits of one style's efficiency with the low information loss of the other
style. To achieve efficiency, the main framework of RpHGNN consists of
propagate-then-update iterations, where we introduce a Random Projection
Squashing step to ensure that complexity increases only linearly. To achieve
low information loss, we introduce a Relation-wise Neighbor Collection
component with an Even-odd Propagation Scheme, which aims to collect
information from neighbors in a finer-grained way. Experimental results
indicate that our approach achieves state-of-the-art results on seven small and
large benchmark datasets while also being 230% faster compared to the most
effective baseline. Surprisingly, our approach not only surpasses
pre-processing-based baselines but also outperforms end-to-end methods. | [
"Jun Hu",
"Bryan Hooi",
"Bingsheng He"
] | 2023-10-23 01:25:44 | http://arxiv.org/abs/2310.14481v1 | http://arxiv.org/pdf/2310.14481v1 | 2310.14481v1 |
Attention-Enhancing Backdoor Attacks Against BERT-based Models | Recent studies have revealed that \textit{Backdoor Attacks} can threaten the
safety of natural language processing (NLP) models. Investigating the
strategies of backdoor attacks will help to understand the model's
vulnerability. Most existing textual backdoor attacks focus on generating
stealthy triggers or modifying model weights. In this paper, we directly target
the interior structure of neural networks and the backdoor mechanism. We
propose a novel Trojan Attention Loss (TAL), which enhances the Trojan behavior
by directly manipulating the attention patterns. Our loss can be applied to
different attacking methods to boost their attack efficacy in terms of attack
successful rates and poisoning rates. It applies to not only traditional
dirty-label attacks, but also the more challenging clean-label attacks. We
validate our method on different backbone models (BERT, RoBERTa, and
DistilBERT) and various tasks (Sentiment Analysis, Toxic Detection, and Topic
Classification). | [
"Weimin Lyu",
"Songzhu Zheng",
"Lu Pang",
"Haibin Ling",
"Chao Chen"
] | 2023-10-23 01:24:56 | http://arxiv.org/abs/2310.14480v1 | http://arxiv.org/pdf/2310.14480v1 | 2310.14480v1 |
Revisiting Implicit Differentiation for Learning Problems in Optimal Control | This paper proposes a new method for differentiating through optimal
trajectories arising from non-convex, constrained discrete-time optimal control
(COC) problems using the implicit function theorem (IFT). Previous works solve
a differential Karush-Kuhn-Tucker (KKT) system for the trajectory derivative,
and achieve this efficiently by solving an auxiliary Linear Quadratic Regulator
(LQR) problem. In contrast, we directly evaluate the matrix equations which
arise from applying variable elimination on the Lagrange multiplier terms in
the (differential) KKT system. By appropriately accounting for the structure of
the terms within the resulting equations, we show that the trajectory
derivatives scale linearly with the number of timesteps. Furthermore, our
approach allows for easy parallelization, significantly improved scalability
with model size, direct computation of vector-Jacobian products and improved
numerical stability compared to prior works. As an additional contribution, we
unify prior works, addressing claims that computing trajectory derivatives
using IFT scales quadratically with the number of timesteps. We evaluate our
method on a both synthetic benchmark and four challenging, learning from
demonstration benchmarks including a 6-DoF maneuvering quadrotor and 6-DoF
rocket powered landing. | [
"Ming Xu",
"Timothy Molloy",
"Stephen Gould"
] | 2023-10-23 00:51:24 | http://arxiv.org/abs/2310.14468v1 | http://arxiv.org/pdf/2310.14468v1 | 2310.14468v1 |
Inferring Relational Potentials in Interacting Systems | Systems consisting of interacting agents are prevalent in the world, ranging
from dynamical systems in physics to complex biological networks. To build
systems which can interact robustly in the real world, it is thus important to
be able to infer the precise interactions governing such systems. Existing
approaches typically discover such interactions by explicitly modeling the
feed-forward dynamics of the trajectories. In this work, we propose Neural
Interaction Inference with Potentials (NIIP) as an alternative approach to
discover such interactions that enables greater flexibility in trajectory
modeling: it discovers a set of relational potentials, represented as energy
functions, which when minimized reconstruct the original trajectory. NIIP
assigns low energy to the subset of trajectories which respect the relational
constraints observed. We illustrate that with these representations NIIP
displays unique capabilities in test-time. First, it allows trajectory
manipulation, such as interchanging interaction types across separately trained
models, as well as trajectory forecasting. Additionally, it allows adding
external hand-crafted potentials at test-time. Finally, NIIP enables the
detection of out-of-distribution samples and anomalies without explicit
training. Website: https://energy-based-model.github.io/interaction-potentials. | [
"Armand Comas-Massagué",
"Yilun Du",
"Christian Fernandez",
"Sandesh Ghimire",
"Mario Sznaier",
"Joshua B. Tenenbaum",
"Octavia Camps"
] | 2023-10-23 00:44:17 | http://arxiv.org/abs/2310.14466v1 | http://arxiv.org/pdf/2310.14466v1 | 2310.14466v1 |
Diffusion-Model-Assisted Supervised Learning of Generative Models for Density Estimation | We present a supervised learning framework of training generative models for
density estimation. Generative models, including generative adversarial
networks, normalizing flows, variational auto-encoders, are usually considered
as unsupervised learning models, because labeled data are usually unavailable
for training. Despite the success of the generative models, there are several
issues with the unsupervised training, e.g., requirement of reversible
architectures, vanishing gradients, and training instability. To enable
supervised learning in generative models, we utilize the score-based diffusion
model to generate labeled data. Unlike existing diffusion models that train
neural networks to learn the score function, we develop a training-free score
estimation method. This approach uses mini-batch-based Monte Carlo estimators
to directly approximate the score function at any spatial-temporal location in
solving an ordinary differential equation (ODE), corresponding to the
reverse-time stochastic differential equation (SDE). This approach can offer
both high accuracy and substantial time savings in neural network training.
Once the labeled data are generated, we can train a simple fully connected
neural network to learn the generative model in the supervised manner. Compared
with existing normalizing flow models, our method does not require to use
reversible neural networks and avoids the computation of the Jacobian matrix.
Compared with existing diffusion models, our method does not need to solve the
reverse-time SDE to generate new samples. As a result, the sampling efficiency
is significantly improved. We demonstrate the performance of our method by
applying it to a set of 2D datasets as well as real data from the UCI
repository. | [
"Yanfang Liu",
"Minglei Yang",
"Zezhong Zhang",
"Feng Bao",
"Yanzhao Cao",
"Guannan Zhang"
] | 2023-10-22 23:56:19 | http://arxiv.org/abs/2310.14458v1 | http://arxiv.org/pdf/2310.14458v1 | 2310.14458v1 |
TATA: Stance Detection via Topic-Agnostic and Topic-Aware Embeddings | Stance detection is important for understanding different attitudes and
beliefs on the Internet. However, given that a passage's stance toward a given
topic is often highly dependent on that topic, building a stance detection
model that generalizes to unseen topics is difficult. In this work, we propose
using contrastive learning as well as an unlabeled dataset of news articles
that cover a variety of different topics to train topic-agnostic/TAG and
topic-aware/TAW embeddings for use in downstream stance detection. Combining
these embeddings in our full TATA model, we achieve state-of-the-art
performance across several public stance detection datasets (0.771 $F_1$-score
on the Zero-shot VAST dataset). We release our code and data at
https://github.com/hanshanley/tata. | [
"Hans W. A. Hanley",
"Zakir Durumeric"
] | 2023-10-22 23:23:44 | http://arxiv.org/abs/2310.14450v1 | http://arxiv.org/pdf/2310.14450v1 | 2310.14450v1 |
URegM: a unified prediction model of resource consumption for refactoring software smells in open source cloud | The low cost and rapid provisioning capabilities have made the cloud a
desirable platform to launch complex scientific applications. However, resource
utilization optimization is a significant challenge for cloud service
providers, since the earlier focus is provided on optimizing resources for the
applications that run on the cloud, with a low emphasis being provided on
optimizing resource utilization of the cloud computing internal processes. Code
refactoring has been associated with improving the maintenance and
understanding of software code. However, analyzing the impact of the
refactoring source code of the cloud and studying its impact on cloud resource
usage require further analysis. In this paper, we propose a framework called
Unified Regression Modelling (URegM) which predicts the impact of code smell
refactoring on cloud resource usage. We test our experiments in a real-life
cloud environment using a complex scientific application as a workload. Results
show that URegM is capable of accurately predicting resource consumption due to
code smell refactoring. This will permit cloud service providers with advanced
knowledge about the impact of refactoring code smells on resource consumption,
thus allowing them to plan their resource provisioning and code refactoring
more effectively. | [
"Asif Imran",
"Tevfik Kosar"
] | 2023-10-22 23:03:35 | http://arxiv.org/abs/2310.14444v1 | http://arxiv.org/pdf/2310.14444v1 | 2310.14444v1 |
EDGE++: Improved Training and Sampling of EDGE | Recently developed deep neural models like NetGAN, CELL, and Variational
Graph Autoencoders have made progress but face limitations in replicating key
graph statistics on generating large graphs. Diffusion-based methods have
emerged as promising alternatives, however, most of them present challenges in
computational efficiency and generative performance. EDGE is effective at
modeling large networks, but its current denoising approach can be inefficient,
often leading to wasted computational resources and potential mismatches in its
generation process. In this paper, we propose enhancements to the EDGE model to
address these issues. Specifically, we introduce a degree-specific noise
schedule that optimizes the number of active nodes at each timestep,
significantly reducing memory consumption. Additionally, we present an improved
sampling scheme that fine-tunes the generative process, allowing for better
control over the similarity between the synthesized and the true network. Our
experimental results demonstrate that the proposed modifications not only
improve the efficiency but also enhance the accuracy of the generated graphs,
offering a robust and scalable solution for graph generation tasks. | [
"Mingyang Wu",
"Xiaohui Chen",
"Liping Liu"
] | 2023-10-22 22:54:20 | http://arxiv.org/abs/2310.14441v1 | http://arxiv.org/pdf/2310.14441v1 | 2310.14441v1 |
Fairness-aware Optimal Graph Filter Design | Graphs are mathematical tools that can be used to represent complex
real-world interconnected systems, such as financial markets and social
networks. Hence, machine learning (ML) over graphs has attracted significant
attention recently. However, it has been demonstrated that ML over graphs
amplifies the already existing bias towards certain under-represented groups in
various decision-making problems due to the information aggregation over biased
graph structures. Faced with this challenge, here we take a fresh look at the
problem of bias mitigation in graph-based learning by borrowing insights from
graph signal processing. Our idea is to introduce predesigned graph filters
within an ML pipeline to reduce a novel unsupervised bias measure, namely the
correlation between sensitive attributes and the underlying graph connectivity.
We show that the optimal design of said filters can be cast as a convex problem
in the graph spectral domain. We also formulate a linear programming (LP)
problem informed by a theoretical bias analysis, which attains a closed-form
solution and leads to a more efficient fairness-aware graph filter. Finally,
for a design whose degrees of freedom are independent of the input graph size,
we minimize the bias metric over the family of polynomial graph convolutional
filters. Our optimal filter designs offer complementary strengths to explore
favorable fairness-utility-complexity tradeoffs. For performance evaluation, we
conduct extensive and reproducible node classification experiments over
real-world networks. Our results show that the proposed framework leads to
better fairness measures together with similar utility compared to
state-of-the-art fairness-aware baselines. | [
"O. Deniz Kose",
"Yanning Shen",
"Gonzalo Mateos"
] | 2023-10-22 22:40:40 | http://arxiv.org/abs/2310.14432v1 | http://arxiv.org/pdf/2310.14432v1 | 2310.14432v1 |
Clustering Students Based on Gamification User Types and Learning Styles | The aim of this study is clustering students according to their gamification
user types and learning styles with the purpose of providing instructors with a
new perspective of grouping students in case of clustering which cannot be done
by hand when there are multiple scales in data. The data used consists of 251
students who were enrolled at a Turkish state university. When grouping
students, K-means algorithm has been utilized as clustering algorithm. As for
determining the gamification user types and learning styles of students,
Gamification User Type Hexad Scale and Grasha-Riechmann Student Learning Style
Scale have been used respectively. Silhouette coefficient is utilized as
clustering quality measure. After fitting the algorithm in several ways,
highest Silhouette coefficient obtained was 0.12 meaning that results are
neutral but not satisfactory. All the statistical operations and data
visualizations were made using Python programming language. | [
"Emre Arslan",
"Atilla Özkaymak",
"Nesrin Özdener Dönmez"
] | 2023-10-22 22:30:35 | http://arxiv.org/abs/2310.14430v1 | http://arxiv.org/pdf/2310.14430v1 | 2310.14430v1 |
A Quadratic Synchronization Rule for Distributed Deep Learning | In distributed deep learning with data parallelism, synchronizing gradients
at each training step can cause a huge communication overhead, especially when
many nodes work together to train large models. Local gradient methods, such as
Local SGD, address this issue by allowing workers to compute locally for $H$
steps without synchronizing with others, hence reducing communication
frequency. While $H$ has been viewed as a hyperparameter to trade optimization
efficiency for communication cost, recent research indicates that setting a
proper $H$ value can lead to generalization improvement. Yet, selecting a
proper $H$ is elusive. This work proposes a theory-grounded method for
determining $H$, named the Quadratic Synchronization Rule (QSR), which
recommends dynamically setting $H$ in proportion to $\frac{1}{\eta^2}$ as the
learning rate $\eta$ decays over time. Extensive ImageNet experiments on ResNet
and ViT show that local gradient methods with QSR consistently improve the test
accuracy over other synchronization strategies. Compared with the standard data
parallel training, QSR enables Local AdamW on ViT-B to cut the training time on
16 or 64 GPUs down from 26.7 to 20.2 hours or from 8.6 to 5.5 hours and, at the
same time, achieves $1.16\%$ or $0.84\%$ higher top-1 validation accuracy. | [
"Xinran Gu",
"Kaifeng Lyu",
"Sanjeev Arora",
"Jingzhao Zhang",
"Longbo Huang"
] | 2023-10-22 21:38:57 | http://arxiv.org/abs/2310.14423v1 | http://arxiv.org/pdf/2310.14423v1 | 2310.14423v1 |
ConViViT -- A Deep Neural Network Combining Convolutions and Factorized Self-Attention for Human Activity Recognition | The Transformer architecture has gained significant popularity in computer
vision tasks due to its capacity to generalize and capture long-range
dependencies. This characteristic makes it well-suited for generating
spatiotemporal tokens from videos. On the other hand, convolutions serve as the
fundamental backbone for processing images and videos, as they efficiently
aggregate information within small local neighborhoods to create spatial tokens
that describe the spatial dimension of a video. While both CNN-based
architectures and pure transformer architectures are extensively studied and
utilized by researchers, the effective combination of these two backbones has
not received comparable attention in the field of activity recognition. In this
research, we propose a novel approach that leverages the strengths of both CNNs
and Transformers in an hybrid architecture for performing activity recognition
using RGB videos. Specifically, we suggest employing a CNN network to enhance
the video representation by generating a 128-channel video that effectively
separates the human performing the activity from the background. Subsequently,
the output of the CNN module is fed into a transformer to extract
spatiotemporal tokens, which are then used for classification purposes. Our
architecture has achieved new SOTA results with 90.05 \%, 99.6\%, and 95.09\%
on HMDB51, UCF101, and ETRI-Activity3D respectively. | [
"Rachid Reda Dokkar",
"Faten Chaieb",
"Hassen Drira",
"Arezki Aberkane"
] | 2023-10-22 21:13:43 | http://arxiv.org/abs/2310.14416v1 | http://arxiv.org/pdf/2310.14416v1 | 2310.14416v1 |
Data Augmentation: a Combined Inductive-Deductive Approach featuring Answer Set Programming | Although the availability of a large amount of data is usually given for
granted, there are relevant scenarios where this is not the case; for instance,
in the biomedical/healthcare domain, some applications require to build huge
datasets of proper images, but the acquisition of such images is often hard for
different reasons (e.g., accessibility, costs, pathology-related variability),
thus causing limited and usually imbalanced datasets. Hence, the need for
synthesizing photo-realistic images via advanced Data Augmentation techniques
is crucial. In this paper we propose a hybrid inductive-deductive approach to
the problem; in particular, starting from a limited set of real labeled images,
the proposed framework makes use of logic programs for declaratively specifying
the structure of new images, that is guaranteed to comply with both a set of
constraints coming from the domain knowledge and some specific desiderata. The
resulting labeled images undergo a dedicated process based on Deep Learning in
charge of creating photo-realistic images that comply with the generated label. | [
"Pierangela Bruno",
"Francesco Calimeri",
"Cinzia Marte",
"Simona Perri"
] | 2023-10-22 21:02:26 | http://arxiv.org/abs/2310.14413v1 | http://arxiv.org/pdf/2310.14413v1 | 2310.14413v1 |
Universal representation by Boltzmann machines with Regularised Axons | It is widely known that Boltzmann machines are capable of representing
arbitrary probability distributions over the values of their visible neurons,
given enough hidden ones. However, sampling -- and thus training -- these
models can be numerically hard. Recently we proposed a regularisation of the
connections of Boltzmann machines, in order to control the energy landscape of
the model, paving a way for efficient sampling and training. Here we formally
prove that such regularised Boltzmann machines preserve the ability to
represent arbitrary distributions. This is in conjunction with controlling the
number of energy local minima, thus enabling easy \emph{guided} sampling and
training. Furthermore, we explicitly show that regularised Boltzmann machines
can store exponentially many arbitrarily correlated visible patterns with
perfect retrieval, and we connect them to the Dense Associative Memory
networks. | [
"Przemysław R. Grzybowski",
"Antoni Jankiewicz",
"Eloy Piñol",
"David Cirauqui",
"Dorota H. Grzybowska",
"Paweł M. Petrykowski",
"Miguel Ángel García-March",
"Maciej Lewenstein",
"Gorka Muñoz-Gil",
"Alejandro Pozas-Kerstjens"
] | 2023-10-22 20:05:47 | http://arxiv.org/abs/2310.14395v1 | http://arxiv.org/pdf/2310.14395v1 | 2310.14395v1 |
Cross-Domain HAR: Few Shot Transfer Learning for Human Activity Recognition | The ubiquitous availability of smartphones and smartwatches with integrated
inertial measurement units (IMUs) enables straightforward capturing of human
activities. For specific applications of sensor based human activity
recognition (HAR), however, logistical challenges and burgeoning costs render
especially the ground truth annotation of such data a difficult endeavor,
resulting in limited scale and diversity of datasets. Transfer learning, i.e.,
leveraging publicly available labeled datasets to first learn useful
representations that can then be fine-tuned using limited amounts of labeled
data from a target domain, can alleviate some of the performance issues of
contemporary HAR systems. Yet they can fail when the differences between source
and target conditions are too large and/ or only few samples from a target
application domain are available, each of which are typical challenges in
real-world human activity recognition scenarios. In this paper, we present an
approach for economic use of publicly available labeled HAR datasets for
effective transfer learning. We introduce a novel transfer learning framework,
Cross-Domain HAR, which follows the teacher-student self-training paradigm to
more effectively recognize activities with very limited label information. It
bridges conceptual gaps between source and target domains, including sensor
locations and type of activities. Through our extensive experimental evaluation
on a range of benchmark datasets, we demonstrate the effectiveness of our
approach for practically relevant few shot activity recognition scenarios. We
also present a detailed analysis into how the individual components of our
framework affect downstream performance. | [
"Megha Thukral",
"Harish Haresamudram",
"Thomas Ploetz"
] | 2023-10-22 19:13:25 | http://arxiv.org/abs/2310.14390v1 | http://arxiv.org/pdf/2310.14390v1 | 2310.14390v1 |
Learning Generalizable Manipulation Policies with Object-Centric 3D Representations | We introduce GROOT, an imitation learning method for learning robust policies
with object-centric and 3D priors. GROOT builds policies that generalize beyond
their initial training conditions for vision-based manipulation. It constructs
object-centric 3D representations that are robust toward background changes and
camera views and reason over these representations using a transformer-based
policy. Furthermore, we introduce a segmentation correspondence model that
allows policies to generalize to new objects at test time. Through
comprehensive experiments, we validate the robustness of GROOT policies against
perceptual variations in simulated and real-world environments. GROOT's
performance excels in generalization over background changes, camera viewpoint
shifts, and the presence of new object instances, whereas both state-of-the-art
end-to-end learning methods and object proposal-based approaches fall short. We
also extensively evaluate GROOT policies on real robots, where we demonstrate
the efficacy under very wild changes in setup. More videos and model details
can be found in the appendix and the project website:
https://ut-austin-rpl.github.io/GROOT . | [
"Yifeng Zhu",
"Zhenyu Jiang",
"Peter Stone",
"Yuke Zhu"
] | 2023-10-22 18:51:45 | http://arxiv.org/abs/2310.14386v1 | http://arxiv.org/pdf/2310.14386v1 | 2310.14386v1 |
MoPe: Model Perturbation-based Privacy Attacks on Language Models | Recent work has shown that Large Language Models (LLMs) can unintentionally
leak sensitive information present in their training data. In this paper, we
present Model Perturbations (MoPe), a new method to identify with high
confidence if a given text is in the training data of a pre-trained language
model, given white-box access to the models parameters. MoPe adds noise to the
model in parameter space and measures the drop in log-likelihood at a given
point $x$, a statistic we show approximates the trace of the Hessian matrix
with respect to model parameters. Across language models ranging from $70$M to
$12$B parameters, we show that MoPe is more effective than existing loss-based
attacks and recently proposed perturbation-based methods. We also examine the
role of training point order and model size in attack success, and empirically
demonstrate that MoPe accurately approximate the trace of the Hessian in
practice. Our results show that the loss of a point alone is insufficient to
determine extractability -- there are training points we can recover using our
method that have average loss. This casts some doubt on prior works that use
the loss of a point as evidence of memorization or unlearning. | [
"Marvin Li",
"Jason Wang",
"Jeffrey Wang",
"Seth Neel"
] | 2023-10-22 17:33:19 | http://arxiv.org/abs/2310.14369v1 | http://arxiv.org/pdf/2310.14369v1 | 2310.14369v1 |
Bi-Encoders based Species Normalization -- Pairwise Sentence Learning to Rank | Motivation: Biomedical named-entity normalization involves connecting
biomedical entities with distinct database identifiers in order to facilitate
data integration across various fields of biology. Existing systems for
biomedical named entity normalization heavily rely on dictionaries, manually
created rules, and high-quality representative features such as lexical or
morphological characteristics. However, recent research has investigated the
use of neural network-based models to reduce dependence on dictionaries,
manually crafted rules, and features. Despite these advancements, the
performance of these models is still limited due to the lack of sufficiently
large training datasets. These models have a tendency to overfit small training
corpora and exhibit poor generalization when faced with previously unseen
entities, necessitating the redesign of rules and features. Contribution: We
present a novel deep learning approach for named entity normalization, treating
it as a pair-wise learning to rank problem. Our method utilizes the widely-used
information retrieval algorithm Best Matching 25 to generate candidate
concepts, followed by the application of bi-directional encoder representation
from the encoder (BERT) to re-rank the candidate list. Notably, our approach
eliminates the need for feature-engineering or rule creation. We conduct
experiments on species entity types and evaluate our method against
state-of-the-art techniques using LINNAEUS and S800 biomedical corpora. Our
proposed approach surpasses existing methods in linking entities to the NCBI
taxonomy. To the best of our knowledge, there is no existing neural
network-based approach for species normalization in the literature. | [
"Zainab Awan",
"Tim Kahlke",
"Peter Ralph",
"Paul Kennedy"
] | 2023-10-22 17:30:16 | http://arxiv.org/abs/2310.14366v1 | http://arxiv.org/pdf/2310.14366v1 | 2310.14366v1 |
Is ChatGPT a game changer for geocoding -- a benchmark for geocoding address parsing techniques | The remarkable success of GPT models across various tasks, including toponymy
recognition motivates us to assess the performance of the GPT-3 model in the
geocoding address parsing task. To ensure that the evaluation more accurately
mirrors performance in real-world scenarios with diverse user input qualities
and resolve the pressing need for a 'gold standard' evaluation dataset for
geocoding systems, we introduce a benchmark dataset of low-quality address
descriptions synthesized based on human input patterns mining from actual input
logs of a geocoding system in production. This dataset has 21 different input
errors and variations; contains over 239,000 address records that are uniquely
selected from streets across all U.S. 50 states and D.C.; and consists of three
subsets to be used as training, validation, and testing sets. Building on this,
we train and gauge the performance of the GPT-3 model in extracting address
components, contrasting its performance with transformer-based and LSTM-based
models. The evaluation results indicate that Bidirectional LSTM-CRF model has
achieved the best performance over these transformer-based models and GPT-3
model. Transformer-based models demonstrate very comparable results compared to
the Bidirectional LSTM-CRF model. The GPT-3 model, though trailing in
performance, showcases potential in the address parsing task with few-shot
examples, exhibiting room for improvement with additional fine-tuning. We open
source the code and data of this presented benchmark so that researchers can
utilize it for future model development or extend it to evaluate similar tasks,
such as document geocoding. | [
"Zhengcong Yin",
"Diya Li",
"Daniel W. Goldberg"
] | 2023-10-22 17:03:56 | http://arxiv.org/abs/2310.14360v1 | http://arxiv.org/pdf/2310.14360v1 | 2310.14360v1 |
A global product of fine-scale urban building height based on spaceborne lidar | Characterizing urban environments with broad coverages and high precision is
more important than ever for achieving the UN's Sustainable Development Goals
(SDGs) as half of the world's populations are living in cities. Urban building
height as a fundamental 3D urban structural feature has far-reaching
applications. However, so far, producing readily available datasets of recent
urban building heights with fine spatial resolutions and global coverages
remains a challenging task. Here, we provide an up-to-date global product of
urban building heights based on a fine grid size of 150 m around 2020 by
combining the spaceborne lidar instrument of GEDI and multi-sourced data
including remotely sensed images (i.e., Landsat-8, Sentinel-2, and Sentinel-1)
and topographic data. Our results revealed that the estimated method of
building height samples based on the GEDI data was effective with 0.78 of
Pearson's r and 3.67 m of RMSE in comparison to the reference data. The mapping
product also demonstrated good performance as indicated by its strong
correlation with the reference data (i.e., Pearson's r = 0.71, RMSE = 4.60 m).
Compared with the currently existing products, our global urban building height
map holds the ability to provide a higher spatial resolution (i.e., 150 m) with
a great level of inherent details about the spatial heterogeneity and
flexibility of updating using the GEDI samples as inputs. This work will boost
future urban studies across many fields including climate, environmental,
ecological, and social sciences. | [
"Xiao Ma",
"Guang Zheng",
"Chi Xu",
"L. Monika Moskal",
"Peng Gong",
"Qinghua Guo",
"Huabing Huang",
"Xuecao Li",
"Yong Pang",
"Cheng Wang",
"Huan Xie",
"Bailang Yu",
"Bo Zhao",
"Yuyu Zhou"
] | 2023-10-22 16:51:15 | http://arxiv.org/abs/2310.14355v1 | http://arxiv.org/pdf/2310.14355v1 | 2310.14355v1 |
What's in a Prior? Learned Proximal Networks for Inverse Problems | Proximal operators are ubiquitous in inverse problems, commonly appearing as
part of algorithmic strategies to regularize problems that are otherwise
ill-posed. Modern deep learning models have been brought to bear for these
tasks too, as in the framework of plug-and-play or deep unrolling, where they
loosely resemble proximal operators. Yet, something essential is lost in
employing these purely data-driven approaches: there is no guarantee that a
general deep network represents the proximal operator of any function, nor is
there any characterization of the function for which the network might provide
some approximate proximal. This not only makes guaranteeing convergence of
iterative schemes challenging but, more fundamentally, complicates the analysis
of what has been learned by these networks about their training data. Herein we
provide a framework to develop learned proximal networks (LPN), prove that they
provide exact proximal operators for a data-driven nonconvex regularizer, and
show how a new training strategy, dubbed proximal matching, provably promotes
the recovery of the log-prior of the true data distribution. Such LPN provide
general, unsupervised, expressive proximal operators that can be used for
general inverse problems with convergence guarantees. We illustrate our results
in a series of cases of increasing complexity, demonstrating that these models
not only result in state-of-the-art performance, but provide a window into the
resulting priors learned from data. | [
"Zhenghan Fang",
"Sam Buchanan",
"Jeremias Sulam"
] | 2023-10-22 16:31:01 | http://arxiv.org/abs/2310.14344v1 | http://arxiv.org/pdf/2310.14344v1 | 2310.14344v1 |
Pyramidal Hidden Markov Model For Multivariate Time Series Forecasting | The Hidden Markov Model (HMM) can predict the future value of a time series
based on its current and previous values, making it a powerful algorithm for
handling various types of time series. Numerous studies have explored the
improvement of HMM using advanced techniques, leading to the development of
several variations of HMM. Despite these studies indicating the increased
competitiveness of HMM compared to other advanced algorithms, few have
recognized the significance and impact of incorporating multistep stochastic
states into its performance. In this work, we propose a Pyramidal Hidden Markov
Model (PHMM) that can capture multiple multistep stochastic states. Initially,
a multistep HMM is designed for extracting short multistep stochastic states.
Next, a novel time series forecasting structure is proposed based on PHMM,
which utilizes pyramid-like stacking to adaptively identify long multistep
stochastic states. By employing these two schemes, our model can effectively
handle non-stationary and noisy data, while also establishing long-term
dependencies for more accurate and comprehensive forecasting. The experimental
results on diverse multivariate time series datasets convincingly demonstrate
the superior performance of our proposed PHMM compared to its competitive peers
in time series forecasting. | [
"YeXin Huang"
] | 2023-10-22 16:17:24 | http://arxiv.org/abs/2310.14341v1 | http://arxiv.org/pdf/2310.14341v1 | 2310.14341v1 |
PPFL: A Personalized Federated Learning Framework for Heterogeneous Population | Personalization aims to characterize individual preferences and is widely
applied across many fields. However, conventional personalized methods operate
in a centralized manner and potentially expose the raw data when pooling
individual information. In this paper, with privacy considerations, we develop
a flexible and interpretable personalized framework within the paradigm of
Federated Learning, called PPFL (Population Personalized Federated Learning).
By leveraging canonical models to capture fundamental characteristics among the
heterogeneous population and employing membership vectors to reveal clients'
preferences, it models the heterogeneity as clients' varying preferences for
these characteristics and provides substantial insights into client
characteristics, which is lacking in existing Personalized Federated Learning
(PFL) methods. Furthermore, we explore the relationship between our method and
three main branches of PFL methods: multi-task PFL, clustered FL, and
decoupling PFL, and demonstrate the advantages of PPFL. To solve PPFL (a
non-convex constrained optimization problem), we propose a novel random block
coordinate descent algorithm and present the convergence property. We conduct
experiments on both pathological and practical datasets, and the results
validate the effectiveness of PPFL. | [
"Hao Di",
"Yi Yang",
"Haishan Ye",
"Xiangyu Chang"
] | 2023-10-22 16:06:27 | http://arxiv.org/abs/2310.14337v1 | http://arxiv.org/pdf/2310.14337v1 | 2310.14337v1 |
Learning Interpretable Rules for Scalable Data Representation and Classification | Rule-based models, e.g., decision trees, are widely used in scenarios
demanding high model interpretability for their transparent inner structures
and good model expressivity. However, rule-based models are hard to optimize,
especially on large data sets, due to their discrete parameters and structures.
Ensemble methods and fuzzy/soft rules are commonly used to improve performance,
but they sacrifice the model interpretability. To obtain both good scalability
and interpretability, we propose a new classifier, named Rule-based
Representation Learner (RRL), that automatically learns interpretable non-fuzzy
rules for data representation and classification. To train the
non-differentiable RRL effectively, we project it to a continuous space and
propose a novel training method, called Gradient Grafting, that can directly
optimize the discrete model using gradient descent. A novel design of logical
activation functions is also devised to increase the scalability of RRL and
enable it to discretize the continuous features end-to-end. Exhaustive
experiments on ten small and four large data sets show that RRL outperforms the
competitive interpretable approaches and can be easily adjusted to obtain a
trade-off between classification accuracy and model complexity for different
scenarios. Our code is available at: https://github.com/12wang3/rrl. | [
"Zhuo Wang",
"Wei Zhang",
"Ning Liu",
"Jianyong Wang"
] | 2023-10-22 15:55:58 | http://arxiv.org/abs/2310.14336v1 | http://arxiv.org/pdf/2310.14336v1 | 2310.14336v1 |
Finite-Sample Analysis of the Temporal Difference Learning | In this paper we consider the problem of obtaining sharp bounds for the
performance of temporal difference (TD) methods with linear functional
approximation for policy evaluation in discounted Markov Decision Processes. We
show that a simple algorithm with a universal and instance-independent step
size together with Polyak-Ruppert tail averaging is sufficient to obtain
near-optimal variance and bias terms. We also provide the respective sample
complexity bounds. Our proof technique is based on refined error bounds for
linear stochastic approximation together with the novel stability result for
the product of random matrices that arise from the TD-type recurrence. | [
"Sergey Samsonov",
"Daniil Tiapkin",
"Alexey Naumov",
"Eric Moulines"
] | 2023-10-22 12:37:25 | http://arxiv.org/abs/2310.14286v1 | http://arxiv.org/pdf/2310.14286v1 | 2310.14286v1 |
Robust Visual Imitation Learning with Inverse Dynamics Representations | Imitation learning (IL) has achieved considerable success in solving complex
sequential decision-making problems. However, current IL methods mainly assume
that the environment for learning policies is the same as the environment for
collecting expert datasets. Therefore, these methods may fail to work when
there are slight differences between the learning and expert environments,
especially for challenging problems with high-dimensional image observations.
However, in real-world scenarios, it is rare to have the chance to collect
expert trajectories precisely in the target learning environment. To address
this challenge, we propose a novel robust imitation learning approach, where we
develop an inverse dynamics state representation learning objective to align
the expert environment and the learning environment. With the abstract state
representation, we design an effective reward function, which thoroughly
measures the similarity between behavior data and expert data not only
element-wise, but also from the trajectory level. We conduct extensive
experiments to evaluate the proposed approach under various visual
perturbations and in diverse visual control tasks. Our approach can achieve a
near-expert performance in most environments, and significantly outperforms the
state-of-the-art visual IL methods and robust IL methods. | [
"Siyuan Li",
"Xun Wang",
"Rongchang Zuo",
"Kewu Sun",
"Lingfei Cui",
"Jishiyu Ding",
"Peng Liu",
"Zhe Ma"
] | 2023-10-22 11:47:35 | http://arxiv.org/abs/2310.14274v1 | http://arxiv.org/pdf/2310.14274v1 | 2310.14274v1 |
RSM-NLP at BLP-2023 Task 2: Bangla Sentiment Analysis using Weighted and Majority Voted Fine-Tuned Transformers | This paper describes our approach to submissions made at Shared Task 2 at BLP
Workshop - Sentiment Analysis of Bangla Social Media Posts. Sentiment Analysis
is an action research area in the digital age. With the rapid and constant
growth of online social media sites and services and the increasing amount of
textual data, the application of automatic Sentiment Analysis is on the rise.
However, most of the research in this domain is based on the English language.
Despite being the world's sixth most widely spoken language, little work has
been done in Bangla. This task aims to promote work on Bangla Sentiment
Analysis while identifying the polarity of social media content by determining
whether the sentiment expressed in the text is Positive, Negative, or Neutral.
Our approach consists of experimenting and finetuning various multilingual and
pre-trained BERT-based models on our downstream tasks and using a Majority
Voting and Weighted ensemble model that outperforms individual baseline model
scores. Our system scored 0.711 for the multiclass classification task and
scored 10th place among the participants on the leaderboard for the shared
task. Our code is available at https://github.com/ptnv-s/RSM-NLP-BLP-Task2 . | [
"Pratinav Seth",
"Rashi Goel",
"Komal Mathur",
"Swetha Vemulapalli"
] | 2023-10-22 10:55:56 | http://arxiv.org/abs/2310.14261v1 | http://arxiv.org/pdf/2310.14261v1 | 2310.14261v1 |
Shortcuts for causal discovery of nonlinear models by score matching | The use of simulated data in the field of causal discovery is ubiquitous due
to the scarcity of annotated real data. Recently, Reisach et al., 2021
highlighted the emergence of patterns in simulated linear data, which displays
increasing marginal variance in the casual direction. As an ablation in their
experiments, Montagna et al., 2023 found that similar patterns may emerge in
nonlinear models for the variance of the score vector $\nabla \log
p_{\mathbf{X}}$, and introduced the ScoreSort algorithm. In this work, we
formally define and characterize this score-sortability pattern of nonlinear
additive noise models. We find that it defines a class of identifiable
(bivariate) causal models overlapping with nonlinear additive noise models. We
theoretically demonstrate the advantages of ScoreSort in terms of statistical
efficiency compared to prior state-of-the-art score matching-based methods and
empirically show the score-sortability of the most common synthetic benchmarks
in the literature. Our findings remark (1) the lack of diversity in the data as
an important limitation in the evaluation of nonlinear causal discovery
approaches, (2) the importance of thoroughly testing different settings within
a problem class, and (3) the importance of analyzing statistical properties in
causal discovery, where research is often limited to defining identifiability
conditions of the model. | [
"Francesco Montagna",
"Nicoletta Noceti",
"Lorenzo Rosasco",
"Francesco Locatello"
] | 2023-10-22 10:09:52 | http://arxiv.org/abs/2310.14246v1 | http://arxiv.org/pdf/2310.14246v1 | 2310.14246v1 |
Guidance system for Visually Impaired Persons using Deep Learning and Optical flow | Visually impaired persons find it difficult to know about their surroundings
while walking on a road. Walking sticks used by them can only give them
information about the obstacles in the stick's proximity. Moreover, it is
mostly effective in static or very slow-paced environments. Hence, this paper
introduces a method to guide them in a busy street. To create such a system it
is very important to know about the approaching object and its direction of
approach. To achieve this objective we created a method in which the image
frame received from the video is divided into three parts i.e. center, left,
and right to know the direction of approach of the approaching object. Object
detection is done using YOLOv3. Lucas Kanade's optical flow estimation method
is used for the optical flow estimation and Depth-net is used for depth
estimation. Using the depth information, object motion trajectory, and object
category information, the model provides necessary information/warning to the
person. This model has been tested in the real world to show its effectiveness. | [
"Shwetang Dubey",
"Alok Ranjan Sahoo",
"Pavan Chakraborty"
] | 2023-10-22 09:24:57 | http://arxiv.org/abs/2310.14239v1 | http://arxiv.org/pdf/2310.14239v1 | 2310.14239v1 |
Revisiting Deep Ensemble for Out-of-Distribution Detection: A Loss Landscape Perspective | Existing Out-of-Distribution (OoD) detection methods address to detect OoD
samples from In-Distribution data (InD) mainly by exploring differences in
features, logits and gradients in Deep Neural Networks (DNNs). We in this work
propose a new perspective upon loss landscape and mode ensemble to investigate
OoD detection. In the optimization of DNNs, there exist many local optima in
the parameter space, or namely modes. Interestingly, we observe that these
independent modes, which all reach low-loss regions with InD data (training and
test data), yet yield significantly different loss landscapes with OoD data.
Such an observation provides a novel view to investigate the OoD detection from
the loss landscape and further suggests significantly fluctuating OoD detection
performance across these modes. For instance, FPR values of the RankFeat method
can range from 46.58% to 84.70% among 5 modes, showing uncertain detection
performance evaluations across independent modes. Motivated by such diversities
on OoD loss landscape across modes, we revisit the deep ensemble method for OoD
detection through mode ensemble, leading to improved performance and benefiting
the OoD detector with reduced variances. Extensive experiments covering varied
OoD detectors and network structures illustrate high variances across modes and
also validate the superiority of mode ensemble in boosting OoD detection. We
hope this work could attract attention in the view of independent modes in the
OoD loss landscape and more reliable evaluations on OoD detectors. | [
"Kun Fang",
"Qinghua Tao",
"Xiaolin Huang",
"Jie Yang"
] | 2023-10-22 08:11:51 | http://arxiv.org/abs/2310.14227v1 | http://arxiv.org/pdf/2310.14227v1 | 2310.14227v1 |
UniMAP: Universal SMILES-Graph Representation Learning | Molecular representation learning is fundamental for many drug related
applications. Most existing molecular pre-training models are limited in using
single molecular modality, either SMILES or graph representation. To
effectively leverage both modalities, we argue that it is critical to capture
the fine-grained 'semantics' between SMILES and graph, because subtle
sequence/graph differences may lead to contrary molecular properties. In this
paper, we propose a universal SMILE-graph representation learning model, namely
UniMAP. Firstly, an embedding layer is employed to obtain the token and
node/edge representation in SMILES and graph, respectively. A multi-layer
Transformer is then utilized to conduct deep cross-modality fusion. Specially,
four kinds of pre-training tasks are designed for UniMAP, including Multi-Level
Cross-Modality Masking (CMM), SMILES-Graph Matching (SGM), Fragment-Level
Alignment (FLA), and Domain Knowledge Learning (DKL). In this way, both global
(i.e. SGM and DKL) and local (i.e. CMM and FLA) alignments are integrated to
achieve comprehensive cross-modality fusion. We evaluate UniMAP on various
downstream tasks, i.e. molecular property prediction, drug-target affinity
prediction and drug-drug interaction. Experimental results show that UniMAP
outperforms current state-of-the-art pre-training methods.We also visualize the
learned representations to demonstrate the effect of multi-modality
integration. | [
"Shikun Feng",
"Lixin Yang",
"Weiying Ma",
"Yanyan Lan"
] | 2023-10-22 07:48:33 | http://arxiv.org/abs/2310.14216v1 | http://arxiv.org/pdf/2310.14216v1 | 2310.14216v1 |
LUNA: A Model-Based Universal Analysis Framework for Large Language Models | Over the past decade, Artificial Intelligence (AI) has had great success
recently and is being used in a wide range of academic and industrial fields.
More recently, LLMs have made rapid advancements that have propelled AI to a
new level, enabling even more diverse applications and industrial domains with
intelligence, particularly in areas like software engineering and natural
language processing. Nevertheless, a number of emerging trustworthiness
concerns and issues exhibited in LLMs have already recently received much
attention, without properly solving which the widespread adoption of LLMs could
be greatly hindered in practice. The distinctive characteristics of LLMs, such
as the self-attention mechanism, extremely large model scale, and
autoregressive generation schema, differ from classic AI software based on CNNs
and RNNs and present new challenges for quality analysis. Up to the present, it
still lacks universal and systematic analysis techniques for LLMs despite the
urgent industrial demand. Towards bridging this gap, we initiate an early
exploratory study and propose a universal analysis framework for LLMs, LUNA,
designed to be general and extensible, to enable versatile analysis of LLMs
from multiple quality perspectives in a human-interpretable manner. In
particular, we first leverage the data from desired trustworthiness
perspectives to construct an abstract model as an auxiliary analysis asset,
which is empowered by various abstract model construction methods. To assess
the quality of the abstract model, we collect and define a number of evaluation
metrics, aiming at both abstract model level and the semantics level. Then, the
semantics, which is the degree of satisfaction of the LLM w.r.t. the
trustworthiness perspective, is bound to and enriches the abstract model with
semantics, which enables more detailed analysis applications for diverse
purposes. | [
"Da Song",
"Xuan Xie",
"Jiayang Song",
"Derui Zhu",
"Yuheng Huang",
"Felix Juefei-Xu",
"Lei Ma"
] | 2023-10-22 07:26:21 | http://arxiv.org/abs/2310.14211v1 | http://arxiv.org/pdf/2310.14211v1 | 2310.14211v1 |
SUT: Active Defects Probing for Transcompiler Models | Automatic Program translation has enormous application value and hence has
been attracting significant interest from AI researchers. However, we observe
that current program translation models still make elementary syntax errors,
particularly, when the target language does not have syntax elements in the
source language. Metrics like BLUE, CodeBLUE and computation accuracy may not
expose these issues. In this paper we introduce a new metrics for programming
language translation and these metrics address these basic syntax errors. We
develop a novel active defects probing suite called Syntactic Unit Tests (SUT)
which includes a highly interpretable evaluation harness for accuracy and test
scoring. Experiments have shown that even powerful models like ChatGPT still
make mistakes on these basic unit tests. Specifically, compared to previous
program translation task evaluation dataset, its pass rate on our unit tests
has decreased by 26.15%. Further our evaluation harness reveal syntactic
element errors in which these models exhibit deficiencies. | [
"Mengnan Qi",
"Yufan Huang",
"Maoquan Wang",
"Yongqiang Yao",
"Zihan Liu",
"Bin Gu",
"Colin Clement",
"Neel Sundaresan"
] | 2023-10-22 07:16:02 | http://arxiv.org/abs/2310.14209v1 | http://arxiv.org/pdf/2310.14209v1 | 2310.14209v1 |
Manifold-Preserving Transformers are Effective for Short-Long Range Encoding | Multi-head self-attention-based Transformers have shown promise in different
learning tasks. Albeit these models exhibit significant improvement in
understanding short-term and long-term contexts from sequences, encoders of
Transformers and their variants fail to preserve layer-wise contextual
information. Transformers usually project tokens onto sparse manifolds and fail
to preserve mathematical equivalence among the token representations. In this
work, we propose TransJect, an encoder model that guarantees a theoretical
bound for layer-wise distance preservation between a pair of tokens. We propose
a simple alternative to dot-product attention to ensure Lipschitz continuity.
This allows TransJect to learn injective mappings to transform token
representations to different manifolds with similar topology and preserve
Euclidean distance between every pair of tokens in subsequent layers.
Evaluations across multiple benchmark short- and long-sequence classification
tasks show maximum improvements of 6.8% and 5.9%, respectively, over the
variants of Transformers. Additionally, TransJect displays 79% better
performance than Transformer on the language modeling task. We further
highlight the shortcomings of multi-head self-attention from the statistical
physics viewpoint. Although multi-head self-attention was incepted to learn
different abstraction levels within the networks, our empirical analyses
suggest that different attention heads learn randomly and unorderly. In
contrast, TransJect adapts a mixture of experts for regularization; these
experts are more orderly and balanced and learn different sparse
representations from the input sequences. TransJect exhibits very low entropy
and can be efficiently scaled to larger depths. | [
"Ayan Sengupta",
"Md Shad Akhtar",
"Tanmoy Chakraborty"
] | 2023-10-22 06:58:28 | http://arxiv.org/abs/2310.14206v1 | http://arxiv.org/pdf/2310.14206v1 | 2310.14206v1 |
Prompt Engineering Through the Lens of Optimal Control | Prompt Engineering (PE) has emerged as a critical technique for guiding Large
Language Models (LLMs) in solving intricate tasks. Its importance is
highlighted by its potential to significantly enhance the efficiency and
effectiveness of human-machine interaction. As tasks grow increasingly complex,
recent advanced PE methods have extended beyond the limitations of single-round
interactions to embrace multi-round interactions, which allows for a deeper and
more nuanced engagement with LLMs. In this paper, we propose an optimal control
framework tailored for multi-round interactions with LLMs. This framework
provides a unified mathematical structure that not only systematizes the
existing PE methods but also sets the stage for rigorous analytical
improvements. Furthermore, we extend this framework to include PE via ensemble
methods and multi-agent collaboration, thereby enlarging the scope of
applicability. By adopting an optimal control perspective, we offer fresh
insights into existing PE methods and highlight theoretical challenges that
warrant future research. Besides, our work lays a foundation for the
development of more effective and interpretable PE methods. | [
"Yifan Luo",
"Yiming Tang",
"Chengfeng Shen",
"Zhennan Zhou",
"Bin Dong"
] | 2023-10-22 06:34:09 | http://arxiv.org/abs/2310.14201v1 | http://arxiv.org/pdf/2310.14201v1 | 2310.14201v1 |
Improved Techniques for Training Consistency Models | Consistency models are a nascent family of generative models that can sample
high quality data in one step without the need for adversarial training.
Current consistency models achieve optimal sample quality by distilling from
pre-trained diffusion models and employing learned metrics such as LPIPS.
However, distillation limits the quality of consistency models to that of the
pre-trained diffusion model, and LPIPS causes undesirable bias in evaluation.
To tackle these challenges, we present improved techniques for consistency
training, where consistency models learn directly from data without
distillation. We delve into the theory behind consistency training and identify
a previously overlooked flaw, which we address by eliminating Exponential
Moving Average from the teacher consistency model. To replace learned metrics
like LPIPS, we adopt Pseudo-Huber losses from robust statistics. Additionally,
we introduce a lognormal noise schedule for the consistency training objective,
and propose to double total discretization steps every set number of training
iterations. Combined with better hyperparameter tuning, these modifications
enable consistency models to achieve FID scores of 2.51 and 3.25 on CIFAR-10
and ImageNet $64\times 64$ respectively in a single sampling step. These scores
mark a 3.5$\times$ and 4$\times$ improvement compared to prior consistency
training approaches. Through two-step sampling, we further reduce FID scores to
2.24 and 2.77 on these two datasets, surpassing those obtained via distillation
in both one-step and two-step settings, while narrowing the gap between
consistency models and other state-of-the-art generative models. | [
"Yang Song",
"Prafulla Dhariwal"
] | 2023-10-22 05:33:38 | http://arxiv.org/abs/2310.14189v1 | http://arxiv.org/pdf/2310.14189v1 | 2310.14189v1 |
A General Theory for Softmax Gating Multinomial Logistic Mixture of Experts | Mixture-of-experts (MoE) model incorporates the power of multiple submodels
via gating functions to achieve greater performance in numerous regression and
classification applications. From a theoretical perspective, while there have
been previous attempts to comprehend the behavior of that model under the
regression settings through the convergence analysis of maximum likelihood
estimation in the Gaussian MoE model, such analysis under the setting of a
classification problem has remained missing in the literature. We close this
gap by establishing the convergence rates of density estimation and parameter
estimation in the softmax gating multinomial logistic MoE model. Notably, when
part of the expert parameters vanish, these rates are shown to be slower than
polynomial rates owing to an inherent interaction between the softmax gating
and expert functions via partial differential equations. To address this issue,
we propose using a novel class of modified softmax gating functions which
transform the input value before delivering them to the gating functions. As a
result, the previous interaction disappears and the parameter estimation rates
are significantly improved. | [
"Huy Nguyen",
"Pedram Akbarian",
"TrungTin Nguyen",
"Nhat Ho"
] | 2023-10-22 05:32:19 | http://arxiv.org/abs/2310.14188v1 | http://arxiv.org/pdf/2310.14188v1 | 2310.14188v1 |
Learning Invariant Molecular Representation in Latent Discrete Space | Molecular representation learning lays the foundation for drug discovery.
However, existing methods suffer from poor out-of-distribution (OOD)
generalization, particularly when data for training and testing originate from
different environments. To address this issue, we propose a new framework for
learning molecular representations that exhibit invariance and robustness
against distribution shifts. Specifically, we propose a strategy called
``first-encoding-then-separation'' to identify invariant molecule features in
the latent space, which deviates from conventional practices. Prior to the
separation step, we introduce a residual vector quantization module that
mitigates the over-fitting to training data distributions while preserving the
expressivity of encoders. Furthermore, we design a task-agnostic
self-supervised learning objective to encourage precise invariance
identification, which enables our method widely applicable to a variety of
tasks, such as regression and multi-label classification. Extensive experiments
on 18 real-world molecular datasets demonstrate that our model achieves
stronger generalization against state-of-the-art baselines in the presence of
various distribution shifts. Our code is available at
https://github.com/HICAI-ZJU/iMoLD. | [
"Xiang Zhuang",
"Qiang Zhang",
"Keyan Ding",
"Yatao Bian",
"Xiao Wang",
"Jingsong Lv",
"Hongyang Chen",
"Huajun Chen"
] | 2023-10-22 04:06:44 | http://arxiv.org/abs/2310.14170v1 | http://arxiv.org/pdf/2310.14170v1 | 2310.14170v1 |
Randomized Forward Mode of Automatic Differentiation for Optimization Algorithms | Backpropagation within neural networks leverages a fundamental element of
automatic differentiation, which is referred to as the reverse mode
differentiation, or vector Jacobian Product (VJP) or, in the context of
differential geometry, known as the pull-back process. The computation of
gradient are important as update of neural network parameters is performed
using gradient descent method. In this study, we present a genric randomized
method, which updates the parameters of neural networks by using directional
derivatives of loss functions computed efficiently by using forward mode AD or
Jacobian vector Product (JVP). These JVP are computed along the random
directions sampled from different probability distributions e.g., Bernoulli,
Normal, Wigner, Laplace and Uniform distributions. The computation of gradient
is performed during the forward pass of the neural network. We also present a
rigorous analysis of the presented methods providing the rate of convergence
along with the computational experiments deployed in scientific Machine
learning in particular physics-informed neural networks and Deep Operator
Networks. | [
"Khemraj Shukla",
"Yeonjong Shin"
] | 2023-10-22 04:02:39 | http://arxiv.org/abs/2310.14168v1 | http://arxiv.org/pdf/2310.14168v1 | 2310.14168v1 |
Ensemble Learning for Graph Neural Networks | Graph Neural Networks (GNNs) have shown success in various fields for
learning from graph-structured data. This paper investigates the application of
ensemble learning techniques to improve the performance and robustness of Graph
Neural Networks (GNNs). By training multiple GNN models with diverse
initializations or architectures, we create an ensemble model named ELGNN that
captures various aspects of the data and uses the Tree-Structured Parzen
Estimator algorithm to determine the ensemble weights. Combining the
predictions of these models enhances overall accuracy, reduces bias and
variance, and mitigates the impact of noisy data. Our findings demonstrate the
efficacy of ensemble learning in enhancing GNN capabilities for analyzing
complex graph-structured data. The code is public at
https://github.com/wongzhenhao/ELGNN. | [
"Zhen Hao Wong",
"Ling Yue",
"Quanming Yao"
] | 2023-10-22 03:55:13 | http://arxiv.org/abs/2310.14166v1 | http://arxiv.org/pdf/2310.14166v1 | 2310.14166v1 |
Graph Convolutional Network with Connectivity Uncertainty for EEG-based Emotion Recognition | Automatic emotion recognition based on multichannel Electroencephalography
(EEG) holds great potential in advancing human-computer interaction. However,
several significant challenges persist in existing research on algorithmic
emotion recognition. These challenges include the need for a robust model to
effectively learn discriminative node attributes over long paths, the
exploration of ambiguous topological information in EEG channels and effective
frequency bands, and the mapping between intrinsic data qualities and provided
labels. To address these challenges, this study introduces the
distribution-based uncertainty method to represent spatial dependencies and
temporal-spectral relativeness in EEG signals based on Graph Convolutional
Network (GCN) architecture that adaptively assigns weights to functional
aggregate node features, enabling effective long-path capturing while
mitigating over-smoothing phenomena. Moreover, the graph mixup technique is
employed to enhance latent connected edges and mitigate noisy label issues.
Furthermore, we integrate the uncertainty learning method with deep GCN weights
in a one-way learning fashion, termed Connectivity Uncertainty GCN (CU-GCN). We
evaluate our approach on two widely used datasets, namely SEED and SEEDIV, for
emotion recognition tasks. The experimental results demonstrate the superiority
of our methodology over previous methods, yielding positive and significant
improvements. Ablation studies confirm the substantial contributions of each
component to the overall performance. | [
"Hongxiang Gao",
"Xiangyao Wang",
"Zhenghua Chen",
"Min Wu",
"Zhipeng Cai",
"Lulu Zhao",
"Jianqing Li",
"Chengyu Liu"
] | 2023-10-22 03:47:11 | http://arxiv.org/abs/2310.14165v1 | http://arxiv.org/pdf/2310.14165v1 | 2310.14165v1 |
$α$-Fair Contextual Bandits | Contextual bandit algorithms are at the core of many applications, including
recommender systems, clinical trials, and optimal portfolio selection. One of
the most popular problems studied in the contextual bandit literature is to
maximize the sum of the rewards in each round by ensuring a sublinear regret
against the best-fixed context-dependent policy. However, in many applications,
the cumulative reward is not the right objective - the bandit algorithm must be
fair in order to avoid the echo-chamber effect and comply with the regulatory
requirements. In this paper, we consider the $\alpha$-Fair Contextual Bandits
problem, where the objective is to maximize the global $\alpha$-fair utility
function - a non-decreasing concave function of the cumulative rewards in the
adversarial setting. The problem is challenging due to the non-separability of
the objective across rounds. We design an efficient algorithm that guarantees
an approximately sublinear regret in the full-information and bandit feedback
settings. | [
"Siddhant Chaudhary",
"Abhishek Sinha"
] | 2023-10-22 03:42:59 | http://arxiv.org/abs/2310.14164v1 | http://arxiv.org/pdf/2310.14164v1 | 2310.14164v1 |
Promoting Generalization for Exact Solvers via Adversarial Instance Augmentation | Machine learning has been successfully applied to improve the efficiency of
Mixed-Integer Linear Programming (MILP) solvers. However, the learning-based
solvers often suffer from severe performance degradation on unseen MILP
instances -- especially on large-scale instances from a perturbed environment
-- due to the limited diversity of training distributions. To tackle this
problem, we propose a novel approach, which is called Adversarial Instance
Augmentation and does not require to know the problem type for new instance
generation, to promote data diversity for learning-based branching modules in
the branch-and-bound (B&B) Solvers (AdaSolver). We use the bipartite graph
representations for MILP instances and obtain various perturbed instances to
regularize the solver by augmenting the graph structures with a learned
augmentation policy. The major technical contribution of AdaSolver is that we
formulate the non-differentiable instance augmentation as a contextual bandit
problem and adversarially train the learning-based solver and augmentation
policy, enabling efficient gradient-based training of the augmentation policy.
To the best of our knowledge, AdaSolver is the first general and effective
framework for understanding and improving the generalization of both
imitation-learning-based (IL-based) and reinforcement-learning-based (RL-based)
B&B solvers. Extensive experiments demonstrate that by producing various
augmented instances, AdaSolver leads to a remarkable efficiency improvement
across various distributions. | [
"Haoyang Liu",
"Yufei Kuang",
"Jie Wang",
"Xijun Li",
"Yongdong Zhang",
"Feng Wu"
] | 2023-10-22 03:15:36 | http://arxiv.org/abs/2310.14161v1 | http://arxiv.org/pdf/2310.14161v1 | 2310.14161v1 |
Orthogonal Subspace Learning for Language Model Continual Learning | Benefiting from massive corpora and advanced hardware, large language models
(LLMs) exhibit remarkable capabilities in language understanding and
generation. However, their performance degrades in scenarios where multiple
tasks are encountered sequentially, also known as catastrophic forgetting. In
this paper, we propose orthogonal low-rank adaptation (O-LoRA), a simple and
efficient approach for continual learning in language models, effectively
mitigating catastrophic forgetting while learning new tasks. Specifically,
O-LoRA learns tasks in different (low-rank) vector subspaces that are kept
orthogonal to each other in order to minimize interference. Our method induces
only marginal additional parameter costs and requires no user data storage for
replay. Experimental results on continual learning benchmarks show that our
method outperforms state-of-the-art methods. Furthermore, compared to previous
approaches, our method excels in preserving the generalization ability of LLMs
on unseen tasks. | [
"Xiao Wang",
"Tianze Chen",
"Qiming Ge",
"Han Xia",
"Rong Bao",
"Rui Zheng",
"Qi Zhang",
"Tao Gui",
"Xuanjing Huang"
] | 2023-10-22 02:23:44 | http://arxiv.org/abs/2310.14152v1 | http://arxiv.org/pdf/2310.14152v1 | 2310.14152v1 |
MMTF-DES: A Fusion of Multimodal Transformer Models for Desire, Emotion, and Sentiment Analysis of Social Media Data | Desire is a set of human aspirations and wishes that comprise verbal and
cognitive aspects that drive human feelings and behaviors, distinguishing
humans from other animals. Understanding human desire has the potential to be
one of the most fascinating and challenging research domains. It is tightly
coupled with sentiment analysis and emotion recognition tasks. It is beneficial
for increasing human-computer interactions, recognizing human emotional
intelligence, understanding interpersonal relationships, and making decisions.
However, understanding human desire is challenging and under-explored because
ways of eliciting desire might be different among humans. The task gets more
difficult due to the diverse cultures, countries, and languages. Prior studies
overlooked the use of image-text pairwise feature representation, which is
crucial for the task of human desire understanding. In this research, we have
proposed a unified multimodal transformer-based framework with image-text pair
settings to identify human desire, sentiment, and emotion. The core of our
proposed method lies in the encoder module, which is built using two
state-of-the-art multimodal transformer models. These models allow us to
extract diverse features. To effectively extract visual and contextualized
embedding features from social media image and text pairs, we conducted joint
fine-tuning of two pre-trained multimodal transformer models:
Vision-and-Language Transformer (ViLT) and Vision-and-Augmented-Language
Transformer (VAuLT). Subsequently, we use an early fusion strategy on these
embedding features to obtain combined diverse feature representations of the
image-text pair. This consolidation incorporates diverse information about this
task, enabling us to robustly perceive the context and image pair from multiple
perspectives. | [
"Abdul Aziz",
"Nihad Karim Chowdhury",
"Muhammad Ashad Kabir",
"Abu Nowshed Chy",
"Md. Jawad Siddique"
] | 2023-10-22 00:43:06 | http://arxiv.org/abs/2310.14143v1 | http://arxiv.org/pdf/2310.14143v1 | 2310.14143v1 |
Are LSTMs Good Few-Shot Learners? | Deep learning requires large amounts of data to learn new tasks well,
limiting its applicability to domains where such data is available.
Meta-learning overcomes this limitation by learning how to learn. In 2001,
Hochreiter et al. showed that an LSTM trained with backpropagation across
different tasks is capable of meta-learning. Despite promising results of this
approach on small problems, and more recently, also on reinforcement learning
problems, the approach has received little attention in the supervised few-shot
learning setting. We revisit this approach and test it on modern few-shot
learning benchmarks. We find that LSTM, surprisingly, outperform the popular
meta-learning technique MAML on a simple few-shot sine wave regression
benchmark, but that LSTM, expectedly, fall short on more complex few-shot image
classification benchmarks. We identify two potential causes and propose a new
method called Outer Product LSTM (OP-LSTM) that resolves these issues and
displays substantial performance gains over the plain LSTM. Compared to popular
meta-learning baselines, OP-LSTM yields competitive performance on
within-domain few-shot image classification, and performs better in
cross-domain settings by 0.5% to 1.9% in accuracy score. While these results
alone do not set a new state-of-the-art, the advances of OP-LSTM are orthogonal
to other advances in the field of meta-learning, yield new insights in how LSTM
work in image classification, allowing for a whole range of new research
directions. For reproducibility purposes, we publish all our research code
publicly. | [
"Mike Huisman",
"Thomas M. Moerland",
"Aske Plaat",
"Jan N. van Rijn"
] | 2023-10-22 00:16:30 | http://arxiv.org/abs/2310.14139v1 | http://arxiv.org/pdf/2310.14139v1 | 2310.14139v1 |
Optimal Batched Best Arm Identification | We study the batched best arm identification (BBAI) problem, where the
learner's goal is to identify the best arm while switching the policy as less
as possible. In particular, we aim to find the best arm with probability
$1-\delta$ for some small constant $\delta>0$ while minimizing both the sample
complexity (total number of arm pulls) and the batch complexity (total number
of batches). We propose the three-batch best arm identification (Tri-BBAI)
algorithm, which is the first batched algorithm that achieves the optimal
sample complexity in the asymptotic setting (i.e., $\delta\rightarrow 0$) and
runs only in at most $3$ batches. Based on Tri-BBAI, we further propose the
almost optimal batched best arm identification (Opt-BBAI) algorithm, which is
the first algorithm that achieves the near-optimal sample and batch complexity
in the non-asymptotic setting (i.e., $\delta>0$ is arbitrarily fixed), while
enjoying the same batch and sample complexity as Tri-BBAI when $\delta$ tends
to zero. Moreover, in the non-asymptotic setting, the complexity of previous
batch algorithms is usually conditioned on the event that the best arm is
returned (with a probability of at least $1-\delta$), which is potentially
unbounded in cases where a sub-optimal arm is returned. In contrast, the
complexity of Opt-BBAI does not rely on such an event. This is achieved through
a novel procedure that we design for checking whether the best arm is
eliminated, which is of independent interest. | [
"Tianyuan Jin",
"Yu Yang",
"Jing Tang",
"Xiaokui Xiao",
"Pan Xu"
] | 2023-10-21 22:55:50 | http://arxiv.org/abs/2310.14129v1 | http://arxiv.org/pdf/2310.14129v1 | 2310.14129v1 |
CLIP meets Model Zoo Experts: Pseudo-Supervision for Visual Enhancement | Contrastive language image pretraining (CLIP) is a standard method for
training vision-language models. While CLIP is scalable, promptable, and robust
to distribution shifts on image classification tasks, it lacks object
localization capabilities. This paper studies the following question: Can we
augment CLIP training with task-specific vision models from model zoos to
improve its visual representations? Towards this end, we leverage open-source
task-specific vision models to generate pseudo-labels for an uncurated and
noisy image-text dataset. Subsequently, we train CLIP models on these
pseudo-labels in addition to the contrastive training on image and text pairs.
This simple setup shows substantial improvements of up to 16.3% across
different vision tasks, including segmentation, detection, depth estimation,
and surface normal estimation. Importantly, these enhancements are achieved
without compromising CLIP's existing capabilities, including its proficiency in
promptable zero-shot classification. | [
"Mohammadreza Salehi",
"Mehrdad Farajtabar",
"Maxwell Horton",
"Fartash Faghri",
"Hadi Pouransari",
"Raviteja Vemulapalli",
"Oncel Tuzel",
"Ali Farhadi",
"Mohammad Rastegari",
"Sachin Mehta"
] | 2023-10-21 20:20:13 | http://arxiv.org/abs/2310.14108v1 | http://arxiv.org/pdf/2310.14108v1 | 2310.14108v1 |
Revisiting Instruction Fine-tuned Model Evaluation to Guide Industrial Applications | Instruction Fine-Tuning (IFT) is a powerful paradigm that strengthens the
zero-shot capabilities of Large Language Models (LLMs), but in doing so induces
new evaluation metric requirements. We show LLM-based metrics to be well
adapted to these requirements, and leverage them to conduct an investigation of
task-specialization strategies, quantifying the trade-offs that emerge in
practical industrial settings. Our findings offer practitioners actionable
insights for real-world IFT model deployment. | [
"Manuel Faysse",
"Gautier Viaud",
"Céline Hudelot",
"Pierre Colombo"
] | 2023-10-21 20:04:55 | http://arxiv.org/abs/2310.14103v1 | http://arxiv.org/pdf/2310.14103v1 | 2310.14103v1 |
Stabilizing reinforcement learning control: A modular framework for optimizing over all stable behavior | We propose a framework for the design of feedback controllers that combines
the optimization-driven and model-free advantages of deep reinforcement
learning with the stability guarantees provided by using the Youla-Kucera
parameterization to define the search domain. Recent advances in behavioral
systems allow us to construct a data-driven internal model; this enables an
alternative realization of the Youla-Kucera parameterization based entirely on
input-output exploration data. Perhaps of independent interest, we formulate
and analyze the stability of such data-driven models in the presence of noise.
The Youla-Kucera approach requires a stable "parameter" for controller design.
For the training of reinforcement learning agents, the set of all stable linear
operators is given explicitly through a matrix factorization approach.
Moreover, a nonlinear extension is given using a neural network to express a
parameterized set of stable operators, which enables seamless integration with
standard deep learning libraries. Finally, we show how these ideas can also be
applied to tune fixed-structure controllers. | [
"Nathan P. Lawrence",
"Philip D. Loewen",
"Shuyuan Wang",
"Michael G. Forbes",
"R. Bhushan Gopaluni"
] | 2023-10-21 19:32:11 | http://arxiv.org/abs/2310.14098v1 | http://arxiv.org/pdf/2310.14098v1 | 2310.14098v1 |
DispersioNET: Joint Inversion of Rayleigh-Wave Multimode Phase Velocity Dispersion Curves using Convolutional Neural Networks | Rayleigh wave dispersion curves have been widely used in near-surface
studies, and are primarily inverted for the shear wave (S-wave) velocity
profiles. However, the inverse problem is ill-posed, non-unique and nonlinear.
Here, we introduce DispersioNET, a deep learning model based on convolution
neural networks (CNN) to perform the joint inversion of Rayleigh wave
fundamental and higher order mode phase velocity dispersion curves.
DispersioNET is trained and tested on both noise-free and noisy dispersion
curve datasets and predicts S-wave velocity profiles that match closely with
the true velocities. The architecture is agnostic to variations in S-wave
velocity profiles such as increasing velocity with depth and intermediate
low-velocity layers, while also ensuring that the output remains independent of
the number of layers. | [
"Rohan Sharma",
"Divakar Vashisth",
"Bharath Shekar"
] | 2023-10-21 19:22:32 | http://arxiv.org/abs/2310.14094v1 | http://arxiv.org/pdf/2310.14094v1 | 2310.14094v1 |
A Specialized Semismooth Newton Method for Kernel-Based Optimal Transport | Kernel-based optimal transport (OT) estimators offer an alternative,
functional estimation procedure to address OT problems from samples. Recent
works suggest that these estimators are more statistically efficient than
plug-in (linear programming-based) OT estimators when comparing probability
measures in high-dimensions~\citep{Vacher-2021-Dimension}. Unfortunately, that
statistical benefit comes at a very steep computational price: because their
computation relies on the short-step interior-point method (SSIPM), which comes
with a large iteration count in practice, these estimators quickly become
intractable w.r.t. sample size $n$. To scale these estimators to larger $n$, we
propose a nonsmooth fixed-point model for the kernel-based OT problem, and show
that it can be efficiently solved via a specialized semismooth Newton (SSN)
method: We show, exploring the problem's structure, that the per-iteration cost
of performing one SSN step can be significantly reduced in practice. We prove
that our SSN method achieves a global convergence rate of $O(1/\sqrt{k})$, and
a local quadratic convergence rate under standard regularity conditions. We
show substantial speedups over SSIPM on both synthetic and real datasets. | [
"Tianyi Lin",
"Marco Cuturi",
"Michael I. Jordan"
] | 2023-10-21 18:48:45 | http://arxiv.org/abs/2310.14087v1 | http://arxiv.org/pdf/2310.14087v1 | 2310.14087v1 |
Adaptive, Doubly Optimal No-Regret Learning in Strongly Monotone and Exp-Concave Games with Gradient Feedback | Online gradient descent (OGD) is well known to be doubly optimal under strong
convexity or monotonicity assumptions: (1) in the single-agent setting, it
achieves an optimal regret of $\Theta(\log T)$ for strongly convex cost
functions; and (2) in the multi-agent setting of strongly monotone games, with
each agent employing OGD, we obtain last-iterate convergence of the joint
action to a unique Nash equilibrium at an optimal rate of
$\Theta(\frac{1}{T})$. While these finite-time guarantees highlight its merits,
OGD has the drawback that it requires knowing the strong convexity/monotonicity
parameters. In this paper, we design a fully adaptive OGD algorithm,
\textsf{AdaOGD}, that does not require a priori knowledge of these parameters.
In the single-agent setting, our algorithm achieves $O(\log^2(T))$ regret under
strong convexity, which is optimal up to a log factor. Further, if each agent
employs \textsf{AdaOGD} in strongly monotone games, the joint action converges
in a last-iterate sense to a unique Nash equilibrium at a rate of
$O(\frac{\log^3 T}{T})$, again optimal up to log factors. We illustrate our
algorithms in a learning version of the classical newsvendor problem, where due
to lost sales, only (noisy) gradient feedback can be observed. Our results
immediately yield the first feasible and near-optimal algorithm for both the
single-retailer and multi-retailer settings. We also extend our results to the
more general setting of exp-concave cost functions and games, using the online
Newton step (ONS) algorithm. | [
"Michael I. Jordan",
"Tianyi Lin",
"Zhengyuan Zhou"
] | 2023-10-21 18:38:13 | http://arxiv.org/abs/2310.14085v1 | http://arxiv.org/pdf/2310.14085v1 | 2310.14085v1 |
Graph Neural Networks and Applied Linear Algebra | Sparse matrix computations are ubiquitous in scientific computing. With the
recent interest in scientific machine learning, it is natural to ask how sparse
matrix computations can leverage neural networks (NN). Unfortunately,
multi-layer perceptron (MLP) neural networks are typically not natural for
either graph or sparse matrix computations. The issue lies with the fact that
MLPs require fixed-sized inputs while scientific applications generally
generate sparse matrices with arbitrary dimensions and a wide range of nonzero
patterns (or matrix graph vertex interconnections). While convolutional NNs
could possibly address matrix graphs where all vertices have the same number of
nearest neighbors, a more general approach is needed for arbitrary sparse
matrices, e.g. arising from discretized partial differential equations on
unstructured meshes. Graph neural networks (GNNs) are one approach suitable to
sparse matrices. GNNs define aggregation functions (e.g., summations) that
operate on variable size input data to produce data of a fixed output size so
that MLPs can be applied. The goal of this paper is to provide an introduction
to GNNs for a numerical linear algebra audience. Concrete examples are provided
to illustrate how many common linear algebra tasks can be accomplished using
GNNs. We focus on iterative methods that employ computational kernels such as
matrix-vector products, interpolation, relaxation methods, and
strength-of-connection measures. Our GNN examples include cases where
parameters are determined a-priori as well as cases where parameters must be
learned. The intent with this article is to help computational scientists
understand how GNNs can be used to adapt machine learning concepts to
computational tasks associated with sparse matrices. It is hoped that this
understanding will stimulate data-driven extensions of classical sparse linear
algebra tasks. | [
"Nicholas S. Moore",
"Eric C. Cyr",
"Peter Ohm",
"Christopher M. Siefert",
"Raymond S. Tuminaro"
] | 2023-10-21 18:37:56 | http://arxiv.org/abs/2310.14084v1 | http://arxiv.org/pdf/2310.14084v1 | 2310.14084v1 |
To Copy, or not to Copy; That is a Critical Issue of the Output Softmax Layer in Neural Sequential Recommenders | Recent studies suggest that the existing neural models have difficulty
handling repeated items in sequential recommendation tasks. However, our
understanding of this difficulty is still limited. In this study, we
substantially advance this field by identifying a major source of the problem:
the single hidden state embedding and static item embeddings in the output
softmax layer. Specifically, the similarity structure of the global item
embeddings in the softmax layer sometimes forces the single hidden state
embedding to be close to new items when copying is a better choice, while
sometimes forcing the hidden state to be close to the items from the input
inappropriately. To alleviate the problem, we adapt the recently-proposed
softmax alternatives such as softmax-CPR to sequential recommendation tasks and
demonstrate that the new softmax architectures unleash the capability of the
neural encoder on learning when to copy and when to exclude the items from the
input sequence. By only making some simple modifications on the output softmax
layer for SASRec and GRU4Rec, softmax-CPR achieves consistent improvement in 12
datasets. With almost the same model size, our best method not only improves
the average NDCG@10 of GRU4Rec in 5 datasets with duplicated items by 10%
(4%-17% individually) but also improves 7 datasets without duplicated items by
24% (8%-39%)! | [
"Haw-Shiuan Chang",
"Nikhil Agarwal",
"Andrew McCallum"
] | 2023-10-21 18:04:04 | http://arxiv.org/abs/2310.14079v1 | http://arxiv.org/pdf/2310.14079v1 | 2310.14079v1 |
Counterfactual Prediction Under Selective Confounding | This research addresses the challenge of conducting interpretable causal
inference between a binary treatment and its resulting outcome when not all
confounders are known. Confounders are factors that have an influence on both
the treatment and the outcome. We relax the requirement of knowing all
confounders under desired treatment, which we refer to as Selective
Confounding, to enable causal inference in diverse real-world scenarios. Our
proposed scheme is designed to work in situations where multiple
decision-makers with different policies are involved and where there is a
re-evaluation mechanism after the initial decision to ensure consistency. These
assumptions are more practical to fulfill compared to the availability of all
confounders under all treatments. To tackle the issue of Selective Confounding,
we propose the use of dual-treatment samples. These samples allow us to employ
two-step procedures, such as Regression Adjustment or Doubly-Robust, to learn
counterfactual predictors. We provide both theoretical error bounds and
empirical evidence of the effectiveness of our proposed scheme using synthetic
and real-world child placement data. Furthermore, we introduce three evaluation
methods specifically tailored to assess the performance in child placement
scenarios. By emphasizing transparency and interpretability, our approach aims
to provide decision-makers with a valuable tool. The source code repository of
this work is located at https://github.com/sohaib730/CausalML. | [
"Sohaib Kiani",
"Jared Barton",
"Jon Sushinsky",
"Lynda Heimbach",
"Bo Luo"
] | 2023-10-21 16:54:59 | http://arxiv.org/abs/2310.14064v1 | http://arxiv.org/pdf/2310.14064v1 | 2310.14064v1 |
On the Neural Tangent Kernel of Equilibrium Models | This work studies the neural tangent kernel (NTK) of the deep equilibrium
(DEQ) model, a practical ``infinite-depth'' architecture which directly
computes the infinite-depth limit of a weight-tied network via root-finding.
Even though the NTK of a fully-connected neural network can be stochastic if
its width and depth both tend to infinity simultaneously, we show that
contrarily a DEQ model still enjoys a deterministic NTK despite its width and
depth going to infinity at the same time under mild conditions. Moreover, this
deterministic NTK can be found efficiently via root-finding. | [
"Zhili Feng",
"J. Zico Kolter"
] | 2023-10-21 16:47:18 | http://arxiv.org/abs/2310.14062v1 | http://arxiv.org/pdf/2310.14062v1 | 2310.14062v1 |
Beyond Accuracy: Evaluating Self-Consistency of Code Large Language Models with IdentityChain | Code Large Language Models (Code LLMs) are being increasingly employed in
real-life applications, so evaluating them is critical. While the general
accuracy of Code LLMs on individual tasks has been extensively evaluated, their
self-consistency across different tasks is overlooked. Intuitively, a
trustworthy model should be self-consistent when generating natural language
specifications for its own code and generating code for its own specifications.
Failure to preserve self-consistency reveals a lack of understanding of the
shared semantics underlying natural language and programming language, and
therefore undermines the trustworthiness of a model. In this paper, we first
formally define the self-consistency of Code LLMs and then design a framework,
IdentityChain, which effectively and efficiently evaluates the self-consistency
and general accuracy of a model at the same time. We study eleven Code LLMs and
show that they fail to preserve self-consistency, which is indeed a distinct
aspect from general accuracy. Furthermore, we show that IdentityChain can be
used as a model debugging tool to expose weaknesses of Code LLMs by
demonstrating three major weaknesses that we identify in current models using
IdentityChain. Our code is available at
https://github.com/marcusm117/IdentityChain. | [
"Marcus J. Min",
"Yangruibo Ding",
"Luca Buratti",
"Saurabh Pujar",
"Gail Kaiser",
"Suman Jana",
"Baishakhi Ray"
] | 2023-10-21 16:14:56 | http://arxiv.org/abs/2310.14053v1 | http://arxiv.org/pdf/2310.14053v1 | 2310.14053v1 |
Training Image Derivatives: Increased Accuracy and Universal Robustness | Derivative training is a well-known method to improve the accuracy of neural
networks. In the forward pass, not only the output values are computed, but
also their derivatives, and their deviations from the target derivatives are
included in the cost function, which is minimized with respect to the weights
by a gradient-based algorithm. So far, this method has been implemented for
relatively low-dimensional tasks. In this study, we apply the approach to the
problem of image analysis. We consider the task of reconstructing the vertices
of a cube based on its image. By training the derivatives with respect to the 6
degrees of freedom of the cube, we obtain 25 times more accurate results for
noiseless inputs. The derivatives also provide important insights into the
robustness problem, which is currently understood in terms of two types of
network vulnerabilities. The first type is small perturbations that
dramatically change the output, and the second type is substantial image
changes that the network erroneously ignores. They are currently considered as
conflicting goals, since conventional training methods produce a trade-off. The
first type can be analyzed via the gradient of the network, but the second type
requires human evaluation of the inputs, which is an oracle substitute. For the
task at hand, the nearest neighbor oracle can be defined, and the knowledge of
derivatives allows it to be expanded into Taylor series. This allows to perform
the first-order robustness analysis that unifies both types of vulnerabilities,
and to implement robust training that eliminates any trade-offs, so that
accuracy and robustness are limited only by network capacity. | [
"Vsevolod I. Avrutskiy"
] | 2023-10-21 15:43:24 | http://arxiv.org/abs/2310.14045v1 | http://arxiv.org/pdf/2310.14045v1 | 2310.14045v1 |
On discretisation drift and smoothness regularisation in neural network training | The deep learning recipe of casting real-world problems as mathematical
optimisation and tackling the optimisation by training deep neural networks
using gradient-based optimisation has undoubtedly proven to be a fruitful one.
The understanding behind why deep learning works, however, has lagged behind
its practical significance. We aim to make steps towards an improved
understanding of deep learning with a focus on optimisation and model
regularisation. We start by investigating gradient descent (GD), a
discrete-time algorithm at the basis of most popular deep learning optimisation
algorithms. Understanding the dynamics of GD has been hindered by the presence
of discretisation drift, the numerical integration error between GD and its
often studied continuous-time counterpart, the negative gradient flow (NGF). To
add to the toolkit available to study GD, we derive novel continuous-time flows
that account for discretisation drift. Unlike the NGF, these new flows can be
used to describe learning rate specific behaviours of GD, such as training
instabilities observed in supervised learning and two-player games. We then
translate insights from continuous time into mitigation strategies for unstable
GD dynamics, by constructing novel learning rate schedules and regularisers
that do not require additional hyperparameters. Like optimisation, smoothness
regularisation is another pillar of deep learning's success with wide use in
supervised learning and generative modelling. Despite their individual
significance, the interactions between smoothness regularisation and
optimisation have yet to be explored. We find that smoothness regularisation
affects optimisation across multiple deep learning domains, and that
incorporating smoothness regularisation in reinforcement learning leads to a
performance boost that can be recovered using adaptions to optimisation
methods. | [
"Mihaela Claudia Rosca"
] | 2023-10-21 15:21:36 | http://arxiv.org/abs/2310.14036v1 | http://arxiv.org/pdf/2310.14036v1 | 2310.14036v1 |
Tree Prompting: Efficient Task Adaptation without Fine-Tuning | Prompting language models (LMs) is the main interface for applying them to
new tasks. However, for smaller LMs, prompting provides low accuracy compared
to gradient-based finetuning. Tree Prompting is an approach to prompting which
builds a decision tree of prompts, linking multiple LM calls together to solve
a task. At inference time, each call to the LM is determined by efficiently
routing the outcome of the previous call using the tree. Experiments on
classification datasets show that Tree Prompting improves accuracy over
competing methods and is competitive with fine-tuning. We also show that
variants of Tree Prompting allow inspection of a model's decision-making
process. | [
"John X. Morris",
"Chandan Singh",
"Alexander M. Rush",
"Jianfeng Gao",
"Yuntian Deng"
] | 2023-10-21 15:18:22 | http://arxiv.org/abs/2310.14034v1 | http://arxiv.org/pdf/2310.14034v1 | 2310.14034v1 |
Contrast Everything: A Hierarchical Contrastive Framework for Medical Time-Series | Contrastive representation learning is crucial in medical time series
analysis as it alleviates dependency on labor-intensive, domain-specific, and
scarce expert annotations. However, existing contrastive learning methods
primarily focus on one single data level, which fails to fully exploit the
intricate nature of medical time series. To address this issue, we present
COMET, an innovative hierarchical framework that leverages data consistencies
at all inherent levels in medical time series. Our meticulously designed model
systematically captures data consistency from four potential levels:
observation, sample, trial, and patient levels. By developing contrastive loss
at multiple levels, we can learn effective representations that preserve
comprehensive data consistency, maximizing information utilization in a
self-supervised manner. We conduct experiments in the challenging
patient-independent setting. We compare COMET against six baselines using three
diverse datasets, which include ECG signals for myocardial infarction and EEG
signals for Alzheimer's and Parkinson's diseases. The results demonstrate that
COMET consistently outperforms all baselines, particularly in setup with 10%
and 1% labeled data fractions across all datasets. These results underscore the
significant impact of our framework in advancing contrastive representation
learning techniques for medical time series. The source code is available at
https://github.com/DL4mHealth/COMET. | [
"Yihe Wang",
"Yu Han",
"Haishuai Wang",
"Xiang Zhang"
] | 2023-10-21 13:59:31 | http://arxiv.org/abs/2310.14017v1 | http://arxiv.org/pdf/2310.14017v1 | 2310.14017v1 |
One is More: Diverse Perspectives within a Single Network for Efficient DRL | Deep reinforcement learning has achieved remarkable performance in various
domains by leveraging deep neural networks for approximating value functions
and policies. However, using neural networks to approximate value functions or
policy functions still faces challenges, including low sample efficiency and
overfitting. In this paper, we introduce OMNet, a novel learning paradigm
utilizing multiple subnetworks within a single network, offering diverse
outputs efficiently. We provide a systematic pipeline, including
initialization, training, and sampling with OMNet. OMNet can be easily applied
to various deep reinforcement learning algorithms with minimal additional
overhead. Through comprehensive evaluations conducted on MuJoCo benchmark, our
findings highlight OMNet's ability to strike an effective balance between
performance and computational cost. | [
"Yiqin Tan",
"Ling Pan",
"Longbo Huang"
] | 2023-10-21 13:37:13 | http://arxiv.org/abs/2310.14009v1 | http://arxiv.org/pdf/2310.14009v1 | 2310.14009v1 |
On Bilingual Lexicon Induction with Large Language Models | Bilingual Lexicon Induction (BLI) is a core task in multilingual NLP that
still, to a large extent, relies on calculating cross-lingual word
representations. Inspired by the global paradigm shift in NLP towards Large
Language Models (LLMs), we examine the potential of the latest generation of
LLMs for the development of bilingual lexicons. We ask the following research
question: Is it possible to prompt and fine-tune multilingual LLMs (mLLMs) for
BLI, and how does this approach compare against and complement current BLI
approaches? To this end, we systematically study 1) zero-shot prompting for
unsupervised BLI and 2) few-shot in-context prompting with a set of seed
translation pairs, both without any LLM fine-tuning, as well as 3) standard
BLI-oriented fine-tuning of smaller LLMs. We experiment with 18 open-source
text-to-text mLLMs of different sizes (from 0.3B to 13B parameters) on two
standard BLI benchmarks covering a range of typologically diverse languages.
Our work is the first to demonstrate strong BLI capabilities of text-to-text
mLLMs. The results reveal that few-shot prompting with in-context examples from
nearest neighbours achieves the best performance, establishing new
state-of-the-art BLI scores for many language pairs. We also conduct a series
of in-depth analyses and ablation studies, providing more insights on BLI with
(m)LLMs, also along with their limitations. | [
"Yaoyiran Li",
"Anna Korhonen",
"Ivan Vulić"
] | 2023-10-21 12:43:27 | http://arxiv.org/abs/2310.13995v1 | http://arxiv.org/pdf/2310.13995v1 | 2310.13995v1 |
A Novel Information-Theoretic Objective to Disentangle Representations for Fair Classification | One of the pursued objectives of deep learning is to provide tools that learn
abstract representations of reality from the observation of multiple contextual
situations. More precisely, one wishes to extract disentangled representations
which are (i) low dimensional and (ii) whose components are independent and
correspond to concepts capturing the essence of the objects under consideration
(Locatello et al., 2019b). One step towards this ambitious project consists in
learning disentangled representations with respect to a predefined (sensitive)
attribute, e.g., the gender or age of the writer. Perhaps one of the main
application for such disentangled representations is fair classification.
Existing methods extract the last layer of a neural network trained with a loss
that is composed of a cross-entropy objective and a disentanglement
regularizer. In this work, we adopt an information-theoretic view of this
problem which motivates a novel family of regularizers that minimizes the
mutual information between the latent representation and the sensitive
attribute conditional to the target. The resulting set of losses, called
CLINIC, is parameter free and thus, it is easier and faster to train. CLINIC
losses are studied through extensive numerical experiments by training over 2k
neural networks. We demonstrate that our methods offer a better
disentanglement/accuracy trade-off than previous techniques, and generalize
better than training with cross-entropy loss solely provided that the
disentanglement task is not too constraining. | [
"Pierre Colombo",
"Nathan Noiry",
"Guillaume Staerman",
"Pablo Piantanida"
] | 2023-10-21 12:35:48 | http://arxiv.org/abs/2310.13990v1 | http://arxiv.org/pdf/2310.13990v1 | 2310.13990v1 |
Filling the Missing: Exploring Generative AI for Enhanced Federated Learning over Heterogeneous Mobile Edge Devices | Distributed Artificial Intelligence (AI) model training over mobile edge
networks encounters significant challenges due to the data and resource
heterogeneity of edge devices. The former hampers the convergence rate of the
global model, while the latter diminishes the devices' resource utilization
efficiency. In this paper, we propose a generative AI-empowered federated
learning to address these challenges by leveraging the idea of FIlling the
MIssing (FIMI) portion of local data. Specifically, FIMI can be considered as a
resource-aware data augmentation method that effectively mitigates the data
heterogeneity while ensuring efficient FL training. We first quantify the
relationship between the training data amount and the learning performance. We
then study the FIMI optimization problem with the objective of minimizing the
device-side overall energy consumption subject to required learning performance
constraints. The decomposition-based analysis and the cross-entropy searching
method are leveraged to derive the solution, where each device is assigned
suitable AI-synthesized data and resource utilization policy. Experiment
results demonstrate that FIMI can save up to 50% of the device-side energy to
achieve the target global test accuracy in comparison with the existing
methods. Meanwhile, FIMI can significantly enhance the converged global
accuracy under the non-independently-and-identically distribution (non-IID)
data. | [
"Peichun Li",
"Hanwen Zhang",
"Yuan Wu",
"Liping Qian",
"Rong Yu",
"Dusit Niyato",
"Xuemin",
"Shen"
] | 2023-10-21 12:07:04 | http://arxiv.org/abs/2310.13981v1 | http://arxiv.org/pdf/2310.13981v1 | 2310.13981v1 |
Continual Invariant Risk Minimization | Empirical risk minimization can lead to poor generalization behavior on
unseen environments if the learned model does not capture invariant feature
representations. Invariant risk minimization (IRM) is a recent proposal for
discovering environment-invariant representations. IRM was introduced by
Arjovsky et al. (2019) and extended by Ahuja et al. (2020). IRM assumes that
all environments are available to the learning system at the same time. With
this work, we generalize the concept of IRM to scenarios where environments are
observed sequentially. We show that existing approaches, including those
designed for continual learning, fail to identify the invariant features and
models across sequentially presented environments. We extend IRM under a
variational Bayesian and bilevel framework, creating a general approach to
continual invariant risk minimization. We also describe a strategy to solve the
optimization problems using a variant of the alternating direction method of
multiplier (ADMM). We show empirically using multiple datasets and with
multiple sequential environments that the proposed methods outperform or is
competitive with prior approaches. | [
"Francesco Alesiani",
"Shujian Yu",
"Mathias Niepert"
] | 2023-10-21 11:44:47 | http://arxiv.org/abs/2310.13977v1 | http://arxiv.org/pdf/2310.13977v1 | 2310.13977v1 |
ASBART:Accelerated Soft Bayes Additive Regression Trees | Bayes additive regression trees(BART) is a nonparametric regression model
which has gained wide-spread popularity in recent years due to its flexibility
and high accuracy of estimation. Soft BART,one variation of BART,improves both
practically and heoretically on existing Bayesian sum-of-trees models. One
bottleneck for Soft BART is its slow speed in the long MCMC loop. Compared to
BART,it use more than about 20 times to complete the calculation with the
default setting. We proposed a variant of BART named accelerate Soft
BART(ASBART). Simulation studies show that the new method is about 10 times
faster than the Soft BART with comparable accuracy. Our code is open-source and
available at https://github.com/richael008/XSBART. | [
"Hao Ran",
"Yang Bai"
] | 2023-10-21 11:27:42 | http://arxiv.org/abs/2310.13975v1 | http://arxiv.org/pdf/2310.13975v1 | 2310.13975v1 |
Distributed Linear Regression with Compositional Covariates | With the availability of extraordinarily huge data sets, solving the problems
of distributed statistical methodology and computing for such data sets has
become increasingly crucial in the big data area. In this paper, we focus on
the distributed sparse penalized linear log-contrast model in massive
compositional data. In particular, two distributed optimization techniques
under centralized and decentralized topologies are proposed for solving the two
different constrained convex optimization problems. Both two proposed
algorithms are based on the frameworks of Alternating Direction Method of
Multipliers (ADMM) and Coordinate Descent Method of Multipliers(CDMM, Lin et
al., 2014, Biometrika). It is worth emphasizing that, in the decentralized
topology, we introduce a distributed coordinate-wise descent algorithm based on
Group ADMM(GADMM, Elgabli et al., 2020, Journal of Machine Learning Research)
for obtaining a communication-efficient regularized estimation.
Correspondingly, the convergence theories of the proposed algorithms are
rigorously established under some regularity conditions. Numerical experiments
on both synthetic and real data are conducted to evaluate our proposed
algorithms. | [
"Yue Chao",
"Lei Huang",
"Xuejun Ma"
] | 2023-10-21 11:09:37 | http://arxiv.org/abs/2310.13969v1 | http://arxiv.org/pdf/2310.13969v1 | 2310.13969v1 |
Minimax Optimal Transfer Learning for Kernel-based Nonparametric Regression | In recent years, transfer learning has garnered significant attention in the
machine learning community. Its ability to leverage knowledge from related
studies to improve generalization performance in a target study has made it
highly appealing. This paper focuses on investigating the transfer learning
problem within the context of nonparametric regression over a reproducing
kernel Hilbert space. The aim is to bridge the gap between practical
effectiveness and theoretical guarantees. We specifically consider two
scenarios: one where the transferable sources are known and another where they
are unknown. For the known transferable source case, we propose a two-step
kernel-based estimator by solely using kernel ridge regression. For the unknown
case, we develop a novel method based on an efficient aggregation algorithm,
which can automatically detect and alleviate the effects of negative sources.
This paper provides the statistical properties of the desired estimators and
establishes the minimax optimal rate. Through extensive numerical experiments
on synthetic data and real examples, we validate our theoretical findings and
demonstrate the effectiveness of our proposed method. | [
"Chao Wang",
"Caixing Wang",
"Xin He",
"Xingdong Feng"
] | 2023-10-21 10:55:31 | http://arxiv.org/abs/2310.13966v1 | http://arxiv.org/pdf/2310.13966v1 | 2310.13966v1 |
Toward Generative Data Augmentation for Traffic Classification | Data Augmentation (DA)-augmenting training data with synthetic samples-is
wildly adopted in Computer Vision (CV) to improve models performance.
Conversely, DA has not been yet popularized in networking use cases, including
Traffic Classification (TC). In this work, we present a preliminary study of 14
hand-crafted DAs applied on the MIRAGE19 dataset. Our results (i) show that DA
can reap benefits previously unexplored in TC and (ii) foster a research agenda
on the use of generative models to automate DA design. | [
"Chao Wang",
"Alessandro Finamore",
"Pietro Michiardi",
"Massimo Gallo",
"Dario Rossi"
] | 2023-10-21 08:08:37 | http://arxiv.org/abs/2310.13935v1 | http://arxiv.org/pdf/2310.13935v1 | 2310.13935v1 |
Diversified Outlier Exposure for Out-of-Distribution Detection via Informative Extrapolation | Out-of-distribution (OOD) detection is important for deploying reliable
machine learning models on real-world applications. Recent advances in outlier
exposure have shown promising results on OOD detection via fine-tuning model
with informatively sampled auxiliary outliers. However, previous methods assume
that the collected outliers can be sufficiently large and representative to
cover the boundary between ID and OOD data, which might be impractical and
challenging. In this work, we propose a novel framework, namely, Diversified
Outlier Exposure (DivOE), for effective OOD detection via informative
extrapolation based on the given auxiliary outliers. Specifically, DivOE
introduces a new learning objective, which diversifies the auxiliary
distribution by explicitly synthesizing more informative outliers for
extrapolation during training. It leverages a multi-step optimization method to
generate novel outliers beyond the original ones, which is compatible with many
variants of outlier exposure. Extensive experiments and analyses have been
conducted to characterize and demonstrate the effectiveness of the proposed
DivOE. The code is publicly available at: https://github.com/tmlr-group/DivOE. | [
"Jianing Zhu",
"Geng Yu",
"Jiangchao Yao",
"Tongliang Liu",
"Gang Niu",
"Masashi Sugiyama",
"Bo Han"
] | 2023-10-21 07:16:09 | http://arxiv.org/abs/2310.13923v1 | http://arxiv.org/pdf/2310.13923v1 | 2310.13923v1 |
Equivariant Map and Agent Geometry for Autonomous Driving Motion Prediction | In autonomous driving, deep learning enabled motion prediction is a popular
topic. A critical gap in traditional motion prediction methodologies lies in
ensuring equivariance under Euclidean geometric transformations and maintaining
invariant interaction relationships. This research introduces a groundbreaking
solution by employing EqMotion, a theoretically geometric equivariant and
interaction invariant motion prediction model for particles and humans, plus
integrating agent-equivariant high-definition (HD) map features for context
aware motion prediction in autonomous driving. The use of EqMotion as backbone
marks a significant departure from existing methods by rigorously ensuring
motion equivariance and interaction invariance. Equivariance here implies that
an output motion must be equally transformed under the same Euclidean
transformation as an input motion, while interaction invariance preserves the
manner in which agents interact despite transformations. These properties make
the network robust to arbitrary Euclidean transformations and contribute to
more accurate prediction. In addition, we introduce an equivariant method to
process the HD map to enrich the spatial understanding of the network while
preserving the overall network equivariance property. By applying these
technologies, our model is able to achieve high prediction accuracy while
maintain a lightweight design and efficient data utilization. | [
"Yuping Wang",
"Jier Chen"
] | 2023-10-21 07:08:44 | http://arxiv.org/abs/2310.13922v1 | http://arxiv.org/pdf/2310.13922v1 | 2310.13922v1 |
Southern Ocean Dynamics Under Climate Change: New Knowledge Through Physics-Guided Machine Learning | Complex ocean systems such as the Antarctic Circumpolar Current play key
roles in the climate, and current models predict shifts in their strength and
area under climate change. However, the physical processes underlying these
changes are not well understood, in part due to the difficulty of
characterizing and tracking changes in ocean physics in complex models. To
understand changes in the Antarctic Circumpolar Current, we extend the method
Tracking global Heating with Ocean Regimes (THOR) to a mesoscale eddy
permitting climate model and identify regions of the ocean characterized by
similar physics, called dynamical regimes, using readily accessible fields from
climate models. To this end, we cluster grid cells into dynamical regimes and
train an ensemble of neural networks to predict these regimes and track them
under climate change. Finally, we leverage this new knowledge to elucidate the
dynamics of regime shifts. Here we illustrate the value of this high-resolution
version of THOR, which allows for mesoscale turbulence, with a case study of
the Antarctic Circumpolar Current and its interactions with the
Pacific-Antarctic Ridge. In this region, THOR specifically reveals a shift in
dynamical regime under climate change driven by changes in wind stress and
interactions with bathymetry. Using this knowledge to guide further
exploration, we find that as the Antarctic Circumpolar Current shifts north
under intensifying wind stress, the dominant dynamical role of bathymetry
weakens and the flow strengthens. | [
"William Yik",
"Maike Sonnewald",
"Mariana C. A. Clare",
"Redouane Lguensat"
] | 2023-10-21 06:13:19 | http://arxiv.org/abs/2310.13916v1 | http://arxiv.org/pdf/2310.13916v1 | 2310.13916v1 |
Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models | Molecular docking, a pivotal computational tool for drug discovery, predicts
the binding interactions between small molecules (ligands) and target proteins
(receptors). Conventional physics-based docking tools, though widely used, face
limitations in precision due to restricted conformational sampling and
imprecise scoring functions. Recent endeavors have employed deep learning
techniques to enhance docking accuracy, but their generalization remains a
concern due to limited training data. Leveraging the success of extensive and
diverse data in other domains, we introduce HelixDock, a novel approach for
site-specific molecular docking. Hundreds of millions of binding poses are
generated by traditional docking tools, encompassing diverse protein targets
and small molecules. Our deep learning-based docking model, a SE(3)-equivariant
network, is pre-trained with this large-scale dataset and then fine-tuned with
a small number of precise receptor-ligand complex structures. Comparative
analyses against physics-based and deep learning-based baseline methods
highlight HelixDock's superiority, especially on challenging test sets. Our
study elucidates the scaling laws of the pre-trained molecular docking models,
showcasing consistent improvements with increased model parameters and
pre-train data quantities. Harnessing the power of extensive and diverse
generated data holds promise for advancing AI-driven drug discovery. | [
"Lihang Liu",
"Donglong He",
"Xianbin Ye",
"Shanzhuo Zhang",
"Xiaonan Zhang",
"Jingbo Zhou",
"Jun Li",
"Hua Chai",
"Fan Wang",
"Jingzhou He",
"Liang Zheng",
"Yonghui Li",
"Xiaomin Fang"
] | 2023-10-21 05:54:26 | http://arxiv.org/abs/2310.13913v1 | http://arxiv.org/pdf/2310.13913v1 | 2310.13913v1 |
Towards Hyperparameter-Agnostic DNN Training via Dynamical System Insights | We present a stochastic first-order optimization method specialized for deep
neural networks (DNNs), ECCO-DNN. This method models the optimization variable
trajectory as a dynamical system and develops a discretization algorithm that
adaptively selects step sizes based on the trajectory's shape. This provides
two key insights: designing the dynamical system for fast continuous-time
convergence and developing a time-stepping algorithm to adaptively select step
sizes based on principles of numerical integration and neural network
structure. The result is an optimizer with performance that is insensitive to
hyperparameter variations and that achieves comparable performance to
state-of-the-art optimizers including ADAM, SGD, RMSProp, and AdaGrad. We
demonstrate this in training DNN models and datasets, including CIFAR-10 and
CIFAR-100 using ECCO-DNN and find that ECCO-DNN's single hyperparameter can be
changed by three orders of magnitude without affecting the trained models'
accuracies. ECCO-DNN's insensitivity reduces the data and computation needed
for hyperparameter tuning, making it advantageous for rapid prototyping and for
applications with new datasets. To validate the efficacy of our proposed
optimizer, we train an LSTM architecture on a household power consumption
dataset with ECCO-DNN and achieve an optimal mean-square-error without tuning
hyperparameters. | [
"Carmel Fiscko",
"Aayushya Agarwal",
"Yihan Ruan",
"Soummya Kar",
"Larry Pileggi",
"Bruno Sinopoli"
] | 2023-10-21 03:45:13 | http://arxiv.org/abs/2310.13901v1 | http://arxiv.org/pdf/2310.13901v1 | 2310.13901v1 |
Masked Hard-Attention Transformers and Boolean RASP Recognize Exactly the Star-Free Languages | We consider transformer encoders with hard attention (in which all attention
is focused on exactly one position) and strict future masking (in which each
position only attends to positions strictly to its left), and prove that the
class of languages recognized by these networks is exactly the star-free
languages. Adding position embeddings increases the class of recognized
languages to other well-studied classes. A key technique in these proofs is
Boolean RASP, a variant of RASP that is restricted to Boolean values. Via the
star-free languages, we relate transformers to first-order logic, temporal
logic, and algebraic automata theory. | [
"Dana Angluin",
"David Chiang",
"Andy Yang"
] | 2023-10-21 03:26:39 | http://arxiv.org/abs/2310.13897v1 | http://arxiv.org/pdf/2310.13897v1 | 2310.13897v1 |
RTSUM: Relation Triple-based Interpretable Summarization with Multi-level Salience Visualization | In this paper, we present RTSUM, an unsupervised summarization framework that
utilizes relation triples as the basic unit for summarization. Given an input
document, RTSUM first selects salient relation triples via multi-level salience
scoring and then generates a concise summary from the selected relation triples
by using a text-to-text language model. On the basis of RTSUM, we also develop
a web demo for an interpretable summarizing tool, providing fine-grained
interpretations with the output summary. With support for customization
options, our tool visualizes the salience for textual units at three distinct
levels: sentences, relation triples, and phrases. The codes,are publicly
available. | [
"Seonglae Cho",
"Yonggi Cho",
"HoonJae Lee",
"Myungha Jang",
"Jinyoung Yeo",
"Dongha Lee"
] | 2023-10-21 02:46:03 | http://arxiv.org/abs/2310.13895v1 | http://arxiv.org/pdf/2310.13895v1 | 2310.13895v1 |
The Hidden Adversarial Vulnerabilities of Medical Federated Learning | In this paper, we delve into the susceptibility of federated medical image
analysis systems to adversarial attacks. Our analysis uncovers a novel
exploitation avenue: using gradient information from prior global model
updates, adversaries can enhance the efficiency and transferability of their
attacks. Specifically, we demonstrate that single-step attacks (e.g. FGSM),
when aptly initialized, can outperform the efficiency of their iterative
counterparts but with reduced computational demand. Our findings underscore the
need to revisit our understanding of AI security in federated healthcare
settings. | [
"Erfan Darzi",
"Florian Dubost",
"Nanna. M. Sijtsema",
"P. M. A van Ooijen"
] | 2023-10-21 02:21:39 | http://arxiv.org/abs/2310.13893v1 | http://arxiv.org/pdf/2310.13893v1 | 2310.13893v1 |
Specify Robust Causal Representation from Mixed Observations | Learning representations purely from observations concerns the problem of
learning a low-dimensional, compact representation which is beneficial to
prediction models. Under the hypothesis that the intrinsic latent factors
follow some casual generative models, we argue that by learning a causal
representation, which is the minimal sufficient causes of the whole system, we
can improve the robustness and generalization performance of machine learning
models. In this paper, we develop a learning method to learn such
representation from observational data by regularizing the learning procedure
with mutual information measures, according to the hypothetical factored causal
graph. We theoretically and empirically show that the models trained with the
learned causal representations are more robust under adversarial attacks and
distribution shifts compared with baselines. The supplementary materials are
available at https://github.com/ymy $4323460 / \mathrm{CaRI} /$. | [
"Mengyue Yang",
"Xinyu Cai",
"Furui Liu",
"Weinan Zhang",
"Jun Wang"
] | 2023-10-21 02:18:35 | http://arxiv.org/abs/2310.13892v1 | http://arxiv.org/pdf/2310.13892v1 | 2310.13892v1 |
Towards a General Framework for Continual Learning with Pre-training | In this work, we present a general framework for continual learning of
sequentially arrived tasks with the use of pre-training, which has emerged as a
promising direction for artificial intelligence systems to accommodate
real-world dynamics. From a theoretical perspective, we decompose its objective
into three hierarchical components, including within-task prediction,
task-identity inference, and task-adaptive prediction. Then we propose an
innovative approach to explicitly optimize these components with
parameter-efficient fine-tuning (PEFT) techniques and representation
statistics. We empirically demonstrate the superiority and generality of our
approach in downstream continual learning, and further explore the
applicability of PEFT techniques in upstream continual learning. We also
discuss the biological basis of the proposed framework with recent advances in
neuroscience. | [
"Liyuan Wang",
"Jingyi Xie",
"Xingxing Zhang",
"Hang Su",
"Jun Zhu"
] | 2023-10-21 02:03:38 | http://arxiv.org/abs/2310.13888v1 | http://arxiv.org/pdf/2310.13888v1 | 2310.13888v1 |
Optimal Transport-based Nonlinear Filtering in High-dimensional Settings | This paper addresses the problem of nonlinear filtering, i.e., computing the
conditional distribution of the state of a stochastic dynamical system given a
history of noisy partial observations. The primary focus is on scenarios
involving degenerate likelihoods or high-dimensional states, where traditional
sequential importance resampling (SIR) particle filters face the weight
degeneracy issue. Our proposed method builds on an optimal transport
interpretation of nonlinear filtering, leading to a simulation-based and
likelihood-free algorithm that estimates the Brenier optimal transport map from
the current distribution of the state to the distribution at the next time
step. Our formulation allows us to harness the approximation power of neural
networks to model complex and multi-modal distributions and employ stochastic
optimization algorithms to enhance scalability. Extensive numerical experiments
are presented that compare our method to the SIR particle filter and the
ensemble Kalman filter, demonstrating the superior performance of our method in
terms of sample efficiency, high-dimensional scalability, and the ability to
capture complex and multi-modal distributions. | [
"Mohammad Al-Jarrah",
"Niyizhen Jin",
"Bamdad Hosseini",
"Amirhossein Taghvaei"
] | 2023-10-21 01:34:30 | http://arxiv.org/abs/2310.13886v1 | http://arxiv.org/pdf/2310.13886v1 | 2310.13886v1 |
Fast Approximation of Similarity Graphs with Kernel Density Estimation | Constructing a similarity graph from a set $X$ of data points in
$\mathbb{R}^d$ is the first step of many modern clustering algorithms. However,
typical constructions of a similarity graph have high time complexity, and a
quadratic space dependency with respect to $|X|$. We address this limitation
and present a new algorithmic framework that constructs a sparse approximation
of the fully connected similarity graph while preserving its cluster structure.
Our presented algorithm is based on the kernel density estimation problem, and
is applicable for arbitrary kernel functions. We compare our designed algorithm
with the well-known implementations from the scikit-learn library and the FAISS
library, and find that our method significantly outperforms the implementation
from both libraries on a variety of datasets. | [
"Peter Macgregor",
"He Sun"
] | 2023-10-21 00:32:47 | http://arxiv.org/abs/2310.13870v1 | http://arxiv.org/pdf/2310.13870v1 | 2310.13870v1 |
Distributionally Robust Optimization with Bias and Variance Reduction | We consider the distributionally robust optimization (DRO) problem with
spectral risk-based uncertainty set and $f$-divergence penalty. This
formulation includes common risk-sensitive learning objectives such as
regularized condition value-at-risk (CVaR) and average top-$k$ loss. We present
Prospect, a stochastic gradient-based algorithm that only requires tuning a
single learning rate hyperparameter, and prove that it enjoys linear
convergence for smooth regularized losses. This contrasts with previous
algorithms that either require tuning multiple hyperparameters or potentially
fail to converge due to biased gradient estimates or inadequate regularization.
Empirically, we show that Prospect can converge 2-3$\times$ faster than
baselines such as stochastic gradient and stochastic saddle-point methods on
distribution shift and fairness benchmarks spanning tabular, vision, and
language domains. | [
"Ronak Mehta",
"Vincent Roulet",
"Krishna Pillutla",
"Zaid Harchaoui"
] | 2023-10-21 00:03:54 | http://arxiv.org/abs/2310.13863v1 | http://arxiv.org/pdf/2310.13863v1 | 2310.13863v1 |