GenAI4ELab/papercli-papers huggingface dataset:
Feature Shift Localization Network
Authors: Míriam Barrabés; Daniel Mas Montserrat; Kapal Dev; Alexander G. Ioannidis
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Feature shifts between data sources are present in many applications involving healthcare, biomedical, socioeconomic, financial, survey, and multi-sensor data, among others, where unharmonized heterogeneous data sources, noisy data measurements, or inconsistent processing and standardization pipelines can lead to erroneous features. Localizing shifted features is important to address the underlying cause of the shift and correct or filter the data to avoid degrading downstream analysis. While many techniques can detect distribution shifts, localizing the features originating them is still challenging, with current solutions being either inaccurate or not scalable to large and high-dimensional datasets. In this work, we introduce the Feature Shift Localization Network (FSL-Net), a neural network that can localize feature shifts in large and high-dimensional datasets in a fast and accurate manner. The network, trained with a large number of datasets, learns to extract the statistical properties of the datasets and can localize feature shifts from previously unseen datasets and shifts without the need for re-training. The code and ready-to-use trained model are available at \url{https://github.com/AI-sandbox/FSL-Net}.
A Theoretical Study of (Hyper) Self-Attention through the Lens of Interactions: Representation, Training, Generalization
Authors: Muhammed Ustaomeroglu; Guannan Qu
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Self-attention has emerged as a core component of modern neural architectures, yet its theoretical underpinnings remain elusive. In this paper, we study self-attention through the lens of *interacting entities*, ranging from agents in multi-agent reinforcement learning to alleles in genetic sequences, and show that a single layer linear self-attention can *efficiently* represent, learn, and generalize functions capturing pairwise interactions, including out-of-distribution scenarios. Our analysis reveals that self-attention acts as a *mutual interaction learner* under minimal assumptions on the diversity of interaction patterns observed during training, thereby encompassing a wide variety of real-world domains. In addition, we validate our theoretical insights through experiments demonstrating that self-attention learns interaction functions and generalizes across both population distributions and out-of-distribution scenarios. Building on our theories, we introduce *HyperFeatureAttention*, a novel neural network module designed to learn couplings of different feature-level interactions between entities. Furthermore, we propose *HyperAttention*, a new module that extends beyond pairwise interactions to capture multi-entity dependencies, such as three-way, four-way, or general $n$-way interactions.
PoisonBench: Assessing Language Model Vulnerability to Poisoned Preference Data
Authors: Tingchen Fu; Mrinank Sharma; Philip Torr; Shay B Cohen; David Krueger; Fazl Barez
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Preference learning is a central component for aligning current LLMs, but this process can be vulnerable to data poisoning attacks. To address this concern, we introduce PoisonBench, a benchmark for evaluating large language models' susceptibility to data poisoning during preference learning. Data poisoning attacks can manipulate large language model responses to include hidden malicious content or biases, potentially causing the model to generate harmful or unintended outputs while appearing to function normally. We deploy two distinct attack types across eight realistic scenarios, assessing 22 widely-used models. Our findings reveal concerning trends: (1) Scaling up parameter size does not always enhance resilience against poisoning attacks and the influence on model resilience varies among different model suites. (2) There exists a log-linear relationship between the effects of the attack and the data poison ratio; (3) The effect of data poisoning can generalize to extrapolated triggers that are not included in the poisoned data. 
These results expose weaknesses in current preference learning techniques, highlighting the urgent need for more robust defenses against malicious models and data manipulation.
Extreme Value Policy Optimization for Safe Reinforcement Learning
Authors: Shiqing Gao; Yihang Zhou; Shuai Shao; Haoyu Luo; Yiheng Bing; Jiaxin Ding; Luoyi Fu; Xinbing Wang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Ensuring safety is a critical challenge in applying Reinforcement Learning (RL) to real-world scenarios. Constrained Reinforcement Learning (CRL) addresses this by maximizing returns under predefined constraints, typically formulated as the expected cumulative cost. However, expectation-based constraints overlook rare but high-impact extreme value events in the tail distribution, such as black swan incidents, which can lead to severe constraint violations. To address this issue, we propose the Extreme Value policy Optimization (EVO) algorithm, leveraging Extreme Value Theory (EVT) to model and exploit extreme reward and cost samples, reducing constraint violations. EVO introduces an extreme quantile optimization objective to explicitly capture extreme samples in the cost tail distribution. Additionally, we propose an extreme prioritization mechanism during replay, amplifying the learning signal from rare but high-impact extreme samples. Theoretically, we establish upper bounds on expected constraint violations during policy updates, guaranteeing strict constraint satisfaction at a zero-violation quantile level. Further, we demonstrate that EVO achieves a lower probability of constraint violations than expectation-based methods and exhibits lower variance than quantile regression methods. Extensive experiments show that EVO significantly reduces constraint violations during training while maintaining competitive policy performance compared to baselines.
Surrogate Prompt Learning: Towards Efficient and Diverse Prompt Learning for Vision-Language Models
Authors: Liangchen Liu; Nannan Wang; Xi Yang; Xinbo Gao; Tongliang Liu
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Prompt learning is a cutting-edge parameter-efficient fine-tuning technique for pre-trained vision-language models (VLMs). Instead of learning a single text prompt, recent works have revealed that learning diverse text prompts can effectively boost the performances on downstream tasks, as the diverse prompted text features can comprehensively depict the visual concepts from different perspectives. However, diverse prompt learning demands enormous computational resources. This efficiency issue still remains unexplored. To achieve efficient and diverse prompt learning, this paper proposes a novel \textbf{Surrogate Prompt Learning (SurPL)} framework. Instead of learning diverse text prompts, SurPL directly generates the desired prompted text features via a lightweight \textbf{Surrogate Feature Generator (SFG)}, thereby avoiding the complex gradient computation procedure of conventional diverse prompt learning. Concretely, based on a basic prompted text feature, SFG can directly and efficiently generate diverse prompted features according to different pre-defined conditional signals. Extensive experiments indicate the effectiveness of the surrogate prompted text features, and show compelling performances and efficiency of SurPL on various benchmarks.
Noisy SIGNSGD Is More Differentially Private Than You (Might) Think
Authors: Richeng Jin; Huaiyu Dai
Venue: ICML 2025 (ICML 2025 poster)

Abstract: The prevalent distributed machine learning paradigm faces two critical challenges: communication efficiency and data privacy. SIGNSGD provides a simple-to-implement approach with improved communication efficiency by requiring workers to share only the signs of the gradients. However, it fails to converge in the presence of data heterogeneity, and a simple fix is to add Gaussian noise before taking the signs, which leads to the Noisy SIGNSGD algorithm that enjoys competitive performance while significantly reducing the communication overhead. Existing results suggest that Noisy SIGNSGD with additive Gaussian noise has the same privacy guarantee as classic DP-SGD due to the post-processing property of differential privacy, and logistic noise may be a good alternative to Gaussian noise when combined with the sign-based compressor. Nonetheless, discarding the magnitudes in Noisy SIGNSGD leads to information loss, which may intuitively amplify privacy. In this paper, we make this intuition rigorous and quantify the privacy amplification of the sign-based compressor. Particularly, we analytically show that Gaussian noise leads to a smaller estimation error than logistic noise when combined with the sign-based compressor and may be more suitable for distributed learning with heterogeneous data. Then, we further establish the convergence of Noisy SIGNSGD. Finally, extensive experiments are conducted to validate the theoretical results.
CROW: Eliminating Backdoors from Large Language Models via Internal Consistency Regularization
Authors: Nay Myat Min; Long H. Pham; Yige Li; Jun Sun
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Large Language Models (LLMs) are vulnerable to backdoor attacks that manipulate outputs via hidden triggers. Existing defense methods—designed for vision/text classification tasks—fail for text generation. We propose *Internal Consistency Regularization (CROW)*, a defense leveraging the observation that backdoored models exhibit unstable layer-wise hidden representations when triggered, while clean models show smooth transitions. CROW enforces consistency across layers via adversarial perturbations and regularization during finetuning, neutralizing backdoors without requiring clean reference models or trigger knowledge—only a small clean dataset. Experiments across Llama-2 (7B, 13B), CodeLlama (7B, 13B), and Mistral-7B demonstrate CROW’s effectiveness: it achieves significant reductions in attack success rates across diverse backdoor strategies (sentiment steering, targeted refusal, code injection) while preserving generative performance. CROW’s architecture-agnostic design enables practical deployment.
Variational Learning of Fractional Posteriors
Authors: Kian Ming A. Chai; Edwin V. Bonilla
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We introduce a novel one-parameter variational objective that lower bounds the data evidence and enables the estimation of approximate fractional posteriors. We extend this framework to hierarchical construction and Bayes posteriors, offering a versatile tool for probabilistic modelling. We demonstrate two cases where gradients can be obtained analytically and a simulation study on mixture models showing that our fractional posteriors can be used to achieve better calibration compared to posteriors from the conventional variational bound. When applied to variational autoencoders (VAEs), our approach attains higher evidence bounds and enables learning of high-performing approximate Bayes posteriors jointly with fractional posteriors. We show that VAEs trained with fractional posteriors produce decoders that are better aligned for generation from the prior.
BackSlash: Rate Constrained Optimized Training of Large Language Models
Authors: Jun Wu; Jiangtao Wen; Yuxing Han
Venue: ICML 2025 (ICML 2025 poster)

Abstract: The rapid advancement of large-language models (LLMs) has driven extensive research into parameter compression after training has been completed, yet compression during the training phase remains largely unexplored. In this work, we introduce Rate-Constrained Training (BackSlash), a novel training-time compression approach based on rate-distortion optimization (RDO). BackSlash enables a flexible trade-off between model accuracy and complexity, significantly reducing parameter redundancy while preserving performance. Experiments in various architectures and tasks demonstrate that BackSlash can reduce memory usage by 60\% - 90\% without accuracy loss and provides significant compression gain compared to compression after training. Moreover, BackSlash proves to be highly versatile: it enhances generalization with small Lagrange multipliers, improves model robustness to pruning (maintaining accuracy even at 80\% pruning rates), and enables network simplification for accelerated inference on edge devices.
High-Fidelity Simultaneous Speech-To-Speech Translation
Authors: Tom Labiausse; Laurent Mazaré; Edouard Grave; Alexandre Défossez; Neil Zeghidour
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We introduce Hibiki, a decoder-only model for simultaneous speech translation. Hibiki leverages a multistream language model to synchronously process source and target speech, and jointly produces text and audio tokens to perform speech-to-text and speech-to-speech translation. We furthermore address the fundamental challenge of simultaneous interpretation, which unlike its consecutive counterpart --where one waits for the end of the source utterance to start translating-- adapts its flow to accumulate just enough context to produce a correct translation in real-time, chunk by chunk. To do so, we introduce a weakly-supervised method that leverages the perplexity of an off-the-shelf text translation system to identify optimal delays on a per-word basis and create aligned synthetic data. After supervised training, Hibiki performs adaptive, simultaneous speech translation with vanilla temperature sampling. On a French-English simultaneous speech translation task, Hibiki demonstrates state-of-the-art performance in translation quality, speaker fidelity and naturalness. Moreover, the simplicity of its inference process makes it compatible with batched translation and even real-time on-device deployment. We provide examples on *huggingface.co/spaces/kyutai/hibiki-samples* as well as models and inference code at *github.com/kyutai-labs/hibiki*.
Decoupled SGDA for Games with Intermittent Strategy Communication
Authors: Ali Zindari; Parham Yazdkhasti; Anton Rodomanov; Tatjana Chavdarova; Sebastian U Stich
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We introduce *Decoupled SGDA*, a novel adaptation of Stochastic Gradient Descent Ascent (SGDA) tailored for multiplayer games with intermittent strategy communication. Unlike prior methods, Decoupled SGDA enables players to update strategies locally using outdated opponent strategies, significantly reducing communication overhead. For Strongly-Convex-Strongly-Concave (SCSC) games, it achieves near-optimal communication complexity comparable to the best-known GDA rates. For *weakly coupled* games where the interaction between players is lower relative to the non-interactive part of the game, Decoupled SGDA significantly reduces communication costs compared to standard SGDA. Additionally, *Decoupled SGDA* outperforms federated minimax approaches in noisy, imbalanced settings. These results establish *Decoupled SGDA* as a transformative approach for distributed optimization in resource-constrained environments.
ML$^2$-GCL: Manifold Learning Inspired Lightweight Graph Contrastive Learning
Authors: Jianqing Liang; Zhiqiang Li; Xinkai Wei; Yuan Liu; Zhiqiang Wang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Graph contrastive learning has attracted great interest as a dominant and promising self-supervised representation learning approach in recent years. While existing works follow the basic principle of pulling positive pairs closer and pushing negative pairs far away, they still suffer from several critical problems, such as the underlying semantic disturbance brought by augmentation strategies, the failure  of GCN in capturing long-range dependence, rigidness and inefficiency of node sampling techniques. To address these issues, we propose Manifold Learning Inspired Lightweight Graph Contrastive Learning (ML$^2$-GCL), which inherits the merits of both manifold learning and GCN. ML$^2$-GCL avoids the potential risks of semantic disturbance with only one single view. It achieves global nonlinear structure recovery from locally linear fits, which can make up for the defects of GCN. The most amazing advantage is about the lightweight due to its closed-form solution of positive pairs weights and removal of pairwise distances calculation. Theoretical analysis proves the existence of the optimal closed-form solution. Extensive empirical results on various benchmarks and evaluation protocols demonstrate effectiveness and lightweight of ML$^2$-GCL. We release the code at https://github.com/a-hou/ML2-GCL.
A Sharper Global Convergence Analysis for Average Reward Reinforcement Learning via an Actor-Critic Approach
Authors: Swetha Ganesh; Washim Uddin Mondal; Vaneet Aggarwal
Venue: ICML 2025 (ICML 2025 poster)

Abstract: This work examines average-reward reinforcement learning with general policy parametrization. Existing state-of-the-art (SOTA) guarantees for this problem are either suboptimal or hindered by several challenges, including poor scalability with respect to the size of the state-action space, high iteration complexity, and a significant dependence on knowledge of mixing times and hitting times. To address these limitations, we propose a Multi-level Monte Carlo-based Natural Actor-Critic (MLMC-NAC) algorithm. Our work is the first to achieve a global convergence rate of $\tilde{\mathcal{O}}(1/\sqrt{T})$ for average-reward Markov Decision Processes (MDPs) (where $T$ is the horizon length), using an Actor-Critic approach. Moreover, the convergence rate does not scale with the size of the state space, therefore even being applicable to infinite state spaces.
Universal Approximation Theorem of Deep Q-Networks
Authors: Qian Qi
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We establish a continuous-time framework for analyzing Deep Q-Networks (DQNs) via stochastic control and Forward-Backward Stochastic Differential Equations (FBSDEs). Considering a continuous-time Markov Decision Process (MDP) driven by a square-integrable martingale, we analyze DQN approximation properties. We show that DQNs can approximate the optimal Q-function on compact sets with arbitrary accuracy and high probability, leveraging residual network approximation theorems and large deviation bounds for the state-action process. We then analyze the convergence of a general Q-learning algorithm for training DQNs in this setting, adapting stochastic approximation theorems. Our analysis emphasizes the interplay between DQN layer count, time discretization, and the role of viscosity solutions (primarily for the value function $V^*$) in addressing potential non-smoothness of the optimal Q-function. This work bridges deep reinforcement learning and stochastic control, offering insights into DQNs in continuous-time settings, relevant for applications with physical systems or high-frequency data.
Stability and Generalization Capability of Subgraph Reasoning Models for Inductive Knowledge Graph Completion
Authors: Minsung Hwang; Jaejun Lee; Joyce Jiyoung Whang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Inductive knowledge graph completion aims to predict missing triplets in an incomplete knowledge graph that differs from the one observed during training. While subgraph reasoning models have demonstrated empirical success in this task, their theoretical properties, such as stability and generalization capability, remain unexplored. In this work, we present the first theoretical analysis of the relationship between the stability and the generalization capability for subgraph reasoning models. Specifically, we define stability as the degree of consistency in a subgraph reasoning model's outputs in response to differences in input subgraphs and introduce the Relational Tree Mover’s Distance as a metric to quantify the differences between the subgraphs. We then show that the generalization capability of subgraph reasoning models, defined as the discrepancy between the performance on training data and test data, is proportional to their stability. Furthermore, we empirically analyze the impact of stability on generalization capability using real-world datasets, validating our theoretical findings.
Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization
Authors: Seungbeom Lee; Munsun Jo; Jungseul Ok; Dongwoo Kim
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Deep learning-based Structure-based drug design aims to generate ligand molecules with desirable properties for protein targets. While existing models have demonstrated competitive performance in generating ligand molecules, they primarily focus on learning the chemical distribution of training datasets, often lacking effective steerability to ensure the desired chemical quality of generated molecules. To address this issue, we propose a multi-reward optimization framework that fine-tunes generative models for attributes, such as binding affinity, validity, and drug-likeness, together. Specifically, we derive direct preference optimization for a Bayesian flow network, used as a backbone for molecule generation, and integrate a reward normalization scheme to adopt multiple objectives. Experimental results show that our method generates more realistic ligands than baseline models while achieving higher binding affinity, expanding the Pareto front empirically observed in previous studies.
Fixing the Double Penalty in Data-Driven Weather Forecasting Through a Modified Spherical Harmonic Loss Function
Authors: Christopher Subich; Syed Zahid Husain; Leo Separovic; Jing Yang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Recent advancements in data-driven weather forecasting models have delivered deterministic models that outperform the leading operational forecast systems based on traditional, physics-based models. However, these data-driven models are typically trained with a mean squared error loss function, which causes smoothing of fine scales through a ``double penalty'' effect.  We develop a simple, parameter-free modification to this loss function that avoids this problem by separating the loss attributable to decorrelation from the loss attributable to spectral amplitude errors.  Fine-tuning the GraphCast model with this new loss function results in sharp deterministic weather forecasts, an increase of the model's effective resolution from 1,250km to 160km, improvements to ensemble spread, and improvements to predictions of tropical cyclone strength and surface wind extremes.
Robust Offline Reinforcement Learning with Linearly Structured $f$-Divergence Regularization
Authors: Cheng Tang; Zhishuai Liu; Pan Xu
Venue: ICML 2025 (ICML 2025 poster)

Abstract: The Robust Regularized Markov Decision Process (RRMDP) is proposed to learn policies robust to dynamics shifts by adding regularization to the transition dynamics in the value function. Existing methods mostly use unstructured regularization, potentially leading to conservative policies under unrealistic transitions. To address this limitation, we propose a novel framework, the $d$-rectangular linear RRMDP ($d$-RRMDP), which introduces latent structures into both transition kernels and regularization. We focus on offline reinforcement learning, where an agent learns policies from a precollected dataset in the nominal environment. We develop the Robust Regularized Pessimistic Value Iteration (R2PVI) algorithm that employs linear function approximation for robust policy learning in $d$-RRMDPs with $f$-divergence based regularization terms on transition kernels. We provide instance-dependent upper bounds on the suboptimality gap of R2PVI policies, demonstrating that these bounds are influenced by how well the dataset covers state-action spaces visited by the optimal robust policy under robustly admissible transitions. We establish information-theoretic lower bounds to verify that our algorithm is near-optimal. Finally, numerical experiments validate that R2PVI learns robust policies and exhibits superior computational efficiency compared to baseline methods.