ICML 2025 论文列表

International Conference on Machine Learning

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3,342篇论文

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Gradient-based Explanations for Deep Learning Survival Models

Sophie Hanna Langbein, Niklas Koenen, Marvin N. Wright

展开摘要

Deep learning survival models often outperform classical methods in time-to-event predictions, particularly in personalized medicine, but their "black box" nature hinders broader adoption. We propose a framework for gradient-based explanation methods tailored to survival neural networks, extending their use beyond regression and classification. We analyze the implications of their theoretical assumptions for time-dependent explanations in the survival setting and propose effective visualizations incorporating the temporal dimension. Experiments on synthetic data show that gradient-based methods capture the magnitude and direction of local and global feature effects, including time dependencies. We introduce GradSHAP(t), a gradient-based counterpart to SurvSHAP(t), which outperforms SurvSHAP(t) and SurvLIME in a computational speed vs. accuracy trade-off. Finally, we apply these methods to medical data with multi-modal inputs, revealing relevant tabular features and visual patterns, as well as their temporal dynamics.

Poster
Subgroups Matter for Robust Bias Mitigation

Anissa Alloula, Charles Jones, Ben Glocker, Bartlomiej Papiez

展开摘要

Despite the constant development of new bias mitigation methods for machine learning, no method consistently succeeds, and a fundamental question remains unanswered: when and why do bias mitigation techniques fail? In this paper, we hypothesise that a key factor may be the often-overlooked but crucial step shared by many bias mitigation methods: the definition of subgroups. To investigate this, we conduct a comprehensive evaluation of state-of-the-art bias mitigation methods across multiple vision and language classification tasks, systematically varying subgroup definitions, including coarse, fine-grained, intersectional, and noisy subgroups. Our findings reveal that subgroup choice significantly impacts performance, with certain groupings paradoxically leading to worse outcomes than no mitigation at all. They suggest that observing a disparity between a set of subgroups is not a sufficient reason to use those subgroups for mitigation. Through theoretical analysis, we explain these phenomena and uncover a counter-intuitive insight that, in some cases, improving fairness with respect to a particular set of subgroups is best achieved by using a different set of subgroups for mitigation. Our work highlights the importance of careful subgroup definition in bias mitigation and presents it as an alternative lever for improving the robustness and fairness of machine learning models.

Poster
Correlation Clustering Beyond the Pivot Algorithm

Soheil Behnezhad, Moses Charikar, Vincent Cohen-Addad, Alma Ghafari, Weiyun ma

展开摘要

We study the classic correlation clustering problem. Given $n$ objects and a complete labeling of the object-pairs as either “similar” or “dissimilar”, the goal is to partition the objects into arbitrarily many clusters while minimizing disagreements with the labels. A classic Pivot algorithm for this problem, due to [Ailon et al STOC'05], obtains a 3-approximation for this problem. Over the years, this algorithm has been successfully implemented in various settings. The downside of the Pivot algorithm is that the approximation analysis of 3 is tight for it. While better approximations have been achieved in some settings, these algorithms are often hard to implement in various settings. For example, [Behnezhad et al FOCS19] showed that the output of Pivot can be maintained in polylog time per update in a dynamic setting, a bound that was improved to constant by [Dalirrooyfard et al ICML'24]. But obtaining a better approximation remains open. In this paper, we present Modified Pivot, an algorithm that locally improves the output of Pivot. Our Modified Pivot algorithm can be implemented just as efficiently as Pivot in various settings. Our experiments show that the output of Modified Pivot on average makes less than 77\% of the mistakes made by Pivot. More surprisingly, we prove theoretically that Modified Pivot has approximation ratio $3-\epsilon_0$ for some absolute constant $\epsilon_0 > 0$. This, e.g., leads to a better than 3 approximation in the dynamic setting in polylog time, improving the 3-approximation obtained by [Behnezhad et al FOCS'19] and [Dalirrooyfard et al ICML'24].

Poster
BiAssemble: Learning Collaborative Affordance for Bimanual Geometric Assembly

Yan Shen, Ruihai Wu, Yubin Ke, Xinyuan Song, Zeyi Li, Xiaoqi Li, Hongwei Fan, Haoran Lu, Hao Dong

展开摘要

Shape assembly, the process of combining parts into a complete whole, is a crucial skill for robots with broad real-world applications. Among the various assembly tasks, geometric assembly—where broken parts are reassembled into their original form (e.g., reconstructing a shattered bowl)—is particularly challenging. This requires the robot to recognize geometric cues for grasping, assembly, and subsequent bimanual collaborative manipulation on varied fragments. In this paper, we exploit the geometric generalization of point-level affordance, learning affordance aware of bimanual collaboration in geometric assembly with long-horizon action sequences. To address the evaluation ambiguity caused by geometry diversity of broken parts, we introduce a real-world benchmark featuring geometric variety and global reproducibility. Extensive experiments demonstrate the superiority of our approach over both previous affordance-based and imitation-based methods.

Poster
Differential Coding for Training-Free ANN-to-SNN Conversion

Zihan Huang, Wei Fang, Tong Bu, Peng Xue, Zecheng Hao, Wenxuan Liu, Yuanhong Tang, Zhaofei Yu, Tiejun Huang

展开摘要

Spiking Neural Networks (SNNs) exhibit significant potential due to their low energy consumption. Converting Artificial Neural Networks (ANNs) to SNNs is an efficient way to achieve high-performance SNNs. However, many conversion methods are based on rate coding, which requires numerous spikes and longer time-steps compared to directly trained SNNs, leading to increased energy consumption and latency. This article introduces differential coding for ANN-to-SNN conversion, a novel coding scheme that reduces spike counts and energy consumption by transmitting changes in rate information rather than rates directly, and explores its application across various layers. Additionally, the threshold iteration method is proposed to optimize thresholds based on activation distribution when converting Rectified Linear Units (ReLUs) to spiking neurons. Experimental results on various Convolutional Neural Networks (CNNs) and Transformers demonstrate that the proposed differential coding significantly improves accuracy while reducing energy consumption, particularly when combined with the threshold iteration method, achieving state-of-the-art performance. The source codes of the proposed method are available at https://github.com/h-z-h-cell/ANN-to-SNN-DCGS.

Poster
Staged and Physics-Grounded Learning Framework with Hyperintensity Prior for Pre-Contrast MRI Synthesis

Dayang Wang, Srivathsa Pasumarthi Venkata, Ajit Shankaranarayanan, Greg Zaharchuk

展开摘要

Contrast-enhanced MRI enhances pathological visualization but often necessitates Pre-Contrast images for accurate quantitative analysis and comparative assessment. However, Pre-Contrast images are frequently unavailable due to time, cost, or safety constraints, or they may suffer from degradation, making alignment challenging. This limitation hinders clinical diagnostics and the performance of tools requiring combined image types. To address this challenge, we propose a novel staged, physics-grounded learning framework with a hyperintensity prior to synthesize Pre-Contrast images directly from Post-Contrast MRIs. The proposed method can generate high-quality Pre-Contrast images, thus, enabling comprehensive diagnostics while reducing the need for additional imaging sessions, costs, and patient risks. To the best of our knowledge, this is the first Pre-Contrast synthesis model capable of generating images that may be interchangeably used with standard-of-care Pre-Contrast images. Extensive evaluations across multiple datasets, sites, anatomies, and downstream tasks demonstrate the model’s robustness and clinical applicability, positioning it as a valuable tool for contrast-enhanced MRI workflows.

Poster
Enhancing Adversarial Robustness with Conformal Prediction: A Framework for Guaranteed Model Reliability

Jie Bao, Chuangyin Dang, Rui Luo, Hanwei Zhang, Zhixin Zhou

展开摘要

As deep learning models are increasingly deployed in high-risk applications, robust defenses against adversarial attacks and reliable performance guarantees become paramount. Moreover, accuracy alone does not provide sufficient assurance or reliable uncertainty estimates for these models. This study advances adversarial training by leveraging principles from Conformal Prediction. Specifically, we develop an adversarial attack method, termed OPSA (OPtimal Size Attack), designed to reduce the efficiency of conformal prediction at any significance level by maximizing model uncertainty without requiring coverage guarantees. Correspondingly, we introduce OPSA-AT (Adversarial Training), a defense strategy that integrates OPSA within a novel conformal training paradigm. Experimental evaluations demonstrate that our OPSA attack method induces greater uncertainty compared to baseline approaches for various defenses. Conversely, our OPSA-AT defensive model significantly enhances robustness not only against OPSA but also other adversarial attacks, and maintains reliable prediction. Our findings highlight the effectiveness of this integrated approach for developing trustworthy and resilient deep learning models for safety-critical domains. Our code is available at https://github.com/bjbbbb/Enhancing-Adversarial-Robustness-with-Conformal-Prediction.

Poster
ExPLoRA: Parameter-Efficient Extended Pre-Training to Adapt Vision Transformers under Domain Shifts

Samar Khanna, Medhanie Irgau, David B. Lobell, Stefano Ermon

展开摘要

Parameter-efficient fine-tuning (PEFT) techniques such as low-rank adaptation (LoRA) can effectively adapt large pre-trained foundation models to downstream tasks using only a small fraction (0.1%-10%) of the original trainable weights. An under-explored question of PEFT is in extending the pre-training phase without supervised labels; that is, can we adapt a pre-trained foundation model to a new domain via efficient self-supervised pre-training on this domain? In this work, we introduce ExPLoRA, a highly effective technique to improve transfer learning of pre-trained vision transformers (ViTs) under domain shifts. Initializing a ViT with pre-trained weights on large, natural-image datasets such as from DinoV2 or MAE, ExPLoRA continues the unsupervised pre-training objective on a new domain, unfreezing 1-2 pre-trained ViT blocks and tuning all other layers with LoRA. We then fine-tune the resulting model only with LoRA on this new domain for supervised learning. Our experiments demonstrate state-of-the-art results on satellite imagery, even outperforming fully pre-training and fine-tuning ViTs. Using the DinoV2 training objective, we demonstrate up to 8% improvement in linear probing top-1 accuracy on downstream tasks while using <10% of the number of parameters that are used in prior fully-tuned state-of-the art approaches. Our ablation studies confirm the efficacy of our approach over other baselines such as PEFT. Code is available at: https://samar-khanna.github.io/ExPLoRA/

Poster
Scalable Generation of Spatial Transcriptomics from Histology Images via Whole-Slide Flow Matching

Tinglin Huang, Tianyu Liu, Mehrtash Babadi, Wengong Jin, Rex Ying

展开摘要

Spatial transcriptomics (ST) has emerged as a powerful technology for bridging histology imaging with gene expression profiling. However, its application has been limited by low throughput and the need for specialized experimental facilities. Prior works sought to predict ST from whole-slide histology images to accelerate this process, but they suffer from two major limitations. First, they do not explicitly model cell-cell interaction as they factorize the joint distribution of whole-slide ST data and predict the gene expression of each spot independently. Second, their encoders struggle with memory constraints due to the large number of spots (often exceeding 10,000) in typical ST datasets. Herein, we propose STFlow, a flow matching generative model that considers cell-cell interaction by modeling the joint distribution of gene expression of an entire slide. It also employs an efficient slide-level encoder with local spatial attention, enabling whole-slide processing without excessive memory overhead. On the recently curated HEST-1k and STImage-1K4M benchmarks, STFlow substantially outperforms state-of-the-art baselines and achieves over 18% relative improvements over the pathology foundation models.

Spotlight
Heterogeneous Treatment Effect in Time-to-Event Outcomes: Harnessing Censored Data with Recursively Imputed Trees

Tomer Meir, Uri Shalit, Malka Gorfine

展开摘要

Tailoring treatments to individual needs is a central goal in fields such as medicine. A key step toward this goal is estimating Heterogeneous Treatment Effects (HTE)—the way treatments impact different subgroups. While crucial, HTE estimation is challenging with survival data, where time until an event (e.g., death) is key. Existing methods often assume complete observation, an assumption violated in survival data due to right-censoring, leading to bias and inefficiency. Cui et al. (2023) proposed a doubly-robust method for HTE estimation in survival data under no hidden confounders, combining a causal survival forest with an augmented inverse-censoring weighting estimator. However, we find it struggles under heavy censoring, which is common in rare-outcome problems such as Amyotrophic lateral sclerosis (ALS). Moreover, most current methods cannot handle instrumental variables, which are a crucial tool in the causal inference arsenal. We introduce Multiple Imputation for Survival Treatment Response (MISTR), a novel, general, and non-parametric method for estimating HTE in survival data. MISTR uses recursively imputed survival trees to handle censoring without directly modeling the censoring mechanism. Through extensive simulations and analysis of two real-world datasets—the AIDS Clinical Trials Group Protocol 175 and the Illinois unemployment dataset we show that MISTR outperforms prior methods under heavy censoring in the no-hidden-confounders setting, and extends to the instrumental variable setting. To our knowledge, MISTR is the first non-parametric approach for HTE estimation with unobserved confounders via instrumental variables.

Poster
Learn Singularly Perturbed Solutions via Homotopy Dynamics

Chuqi CHEN, Yahong Yang, Yang Xiang, Wenrui Hao

展开摘要

Solving partial differential equations (PDEs) using neural networks has become a central focus in scientific machine learning. Training neural networks for singularly perturbed problems is particularly challenging due to certain parameters in the PDEs that introduce near-singularities in the loss function. In this study, we overcome this challenge by introducing a novel method based on homotopy dynamics to effectively manipulate these parameters. From a theoretical perspective, we analyze the effects of these parameters on training difficulty in these singularly perturbed problems and establish the convergence of the proposed homotopy dynamics method. Experimentally, we demonstrate that our approach significantly accelerates convergence and improves the accuracy of these singularly perturbed problems. These findings present an efficient optimization strategy leveraging homotopy dynamics, offering a robust framework to extend the applicability of neural networks for solving singularly perturbed differential equations.

Poster
A Theory for Conditional Generative Modeling on Multiple Data Sources

Rongzhen Wang, Yan Zhang, Chenyu Zheng, Chongxuan Li, Guoqiang Wu

展开摘要

The success of large generative models has driven a paradigm shift, leveraging massive multi-source data to enhance model capabilities. However, the interaction among these sources remains theoretically underexplored. This paper provides a first attempt to fill this gap by rigorously analyzing multi-source training in conditional generative modeling, where each condition represents a distinct data source. Specifically, we establish a general distribution estimation error bound in average total variation distance for conditional maximum likelihood estimation based on the bracketing number. Our result shows that when source distributions share certain similarities and the model is expressive enough, multi-source training guarantees a sharper bound than single-source training. We further instantiate the general theory on conditional Gaussian estimation and deep generative models including autoregressive and flexible energy-based models, by characterizing their bracketing numbers. The results highlight that the number of sources and similarity among source distributions improve the advantage of multi-source training. Simulations and real-world experiments validate our theory.

Poster
Revisiting Continuity of Image Tokens for Cross-domain Few-shot Learning

Shuai Yi, Yixiong Zou, Yuhua Li, Ruixuan Li

展开摘要

Vision Transformer (ViT) has achieved remarkable success due to its large-scale pretraining on general domains, but it still faces challenges when applying it to downstream distant domains that have only scarce training data, which gives rise to the Cross-Domain Few-Shot Learning (CDFSL) task. Inspired by Self-Attention's insensitivity to token orders, we find an interesting phenomenon neglected in current works: disrupting the continuity of image tokens (i.e., making pixels not smoothly transited across patches) in ViT leads to a noticeable performance decline in the general (source) domain but only a marginal decrease in downstream target domains. This questions the role of image tokens' continuity in ViT's generalization under large domain gaps. In this paper, we delve into this phenomenon for an interpretation. We find continuity aids ViT in learning larger spatial patterns, which are harder to transfer than smaller ones, enlarging domain distances. Meanwhile, it implies that only smaller patterns within each patch could be transferred under extreme domain gaps. Based on this interpretation, we further propose a simple yet effective method for CDFSL that better disrupts the continuity of image tokens, encouraging the model to rely less on large patterns and more on smaller ones. Extensive experiments show the effectiveness of our method in reducing domain gaps and outperforming state-of-the-art works. Codes and models are available at https://github.com/shuaiyi308/ReCIT.

Spotlight
Towards Understanding Gradient Dynamics of the Sliced-Wasserstein Distance via Critical Point Analysis

Christophe Vauthier, Anna Korba, Quentin Mérigot

展开摘要

In this paper, we investigate the properties of the Sliced Wasserstein Distance (SW) when employed as an objective functional. The SW metric has gained significant interest in the optimal transport and machine learning literature, due to its ability to capture intricate geometric properties of probability distributions while remaining computationally tractable, making it a valuable tool for various applications, including generative modeling and domain adaptation. Our study aims to provide a rigorous analysis of the critical points arising from the optimization of the SW objective. By computing explicit perturbations, we establish that stable critical points of SW cannot concentrate on segments. This stability analysis is crucial for understanding the behaviour of optimization algorithms for models trained using the SW objective. Furthermore, we investigate the properties of the SW objective, shedding light on the existence and convergence behavior of critical points. We illustrate our theoretical results through numerical experiments.

Poster
An Efficient Private GPT Never Autoregressively Decodes

Zhengyi Li, Yue Guan, Kang Yang, Yu Feng, Ning Liu, Yu Yu, Jingwen Leng, Minyi Guo

展开摘要

The wide deployment of the generative pre-trained transformer (GPT) has raised privacy concerns for both clients and servers. While cryptographic primitives can be employed for secure GPT inference to protect the privacy of both parties, they introduce considerable performance overhead. To accelerate secure inference, this study proposes a public decoding and secure verification approach that utilizes public GPT models, motivated by the observation that securely decoding one and multiple tokens takes a similar latency. The client uses the public model to generate a set of tokens, which are then securely verified by the private model for acceptance. The efficiency of our approach depends on the acceptance ratio of tokens proposed by the public model, which we improve from two aspects: (1) a private sampling protocol optimized for cryptographic primitives and (2) model alignment using knowledge distillation. Our approach improves the efficiency of secure decoding while maintaining the same level of privacy and generation quality as standard secure decoding. Experiments demonstrate a $2.1\times \sim 6.0\times$ speedup compared to standard decoding across three pairs of public-private models and different network conditions.

Poster
The Harder Path: Last Iterate Convergence for Uncoupled Learning in Zero-Sum Games with Bandit Feedback

Côme Fiegel, Pierre Menard, Tadashi Kozuno, Michal Valko, Vianney Perchet

展开摘要

We study the problem of learning in zero-sum matrix games with repeated play and bandit feedback. Specifically, we focus on developing uncoupled algorithms that guarantee, without communication between players, convergence of the last-iterate to a Nash equilibrium. Although the non-bandit case has been studied extensively, this setting has only been explored recently, with a bound of $\mathcal{O}(T^{-1/8})$ on the exploitability gap. We show that, for uncoupled algorithms, guaranteeing convergence of the policy profiles to a Nash equilibrium is detrimental to the performances, with the best attainable rate being $\mathcal{O}(T^{-1/4})$ in contrast to the usual $\mathcal{O}(T^{-1/2})$ rate for convergence of the average iterates. We then propose two algorithms that achieve this optimal rate. The first algorithm leverages a straightforward tradeoff between exploration and exploitation, while the second employs a regularization technique based on a two-step mirror descent approach.

Poster
Linear Bandits with Partially Observable Features

Wonyoung Kim, Sungwoo Park, Garud Iyengar, assaf zeevi, Min-hwan Oh

展开摘要

We study the linear bandit problem that accounts for partially observable features. Without proper handling, unobserved features can lead to linear regret in the decision horizon $T$, as their influence on rewards is unknown. To tackle this challenge, we propose a novel theoretical framework and an algorithm with sublinear regret guarantees. The core of our algorithm consists of: (i) feature augmentation, by appending basis vectors that are orthogonal to the row space of the observed features; and (ii) the introduction of a doubly robust estimator. Our approach achieves a regret bound of $\tilde{O}(\sqrt{(d + d_h)T})$, where $d$ denotes the dimension of the observed features, and $d_h$ represents the number of nonzero coefficients in the parameter associated with the reward component projected onto the subspace orthogonal to the row space spanned by the observed features. Notably, our algorithm requires no prior knowledge of the unobserved feature space, which may expand as more features become hidden. Numerical experiments confirm that our algorithm outperforms both non-contextual multi-armed bandits and linear bandit algorithms depending solely on observed features.

Poster
From Local Details to Global Context: Advancing Vision-Language Models with Attention-Based Selection

Lincan Cai, Jingxuan Kang, Shuang Li, Wenxuan Ma, Binhui Xie, Zhida Qin, Jian Liang

展开摘要

Pretrained vision-language models (VLMs), e.g., CLIP, demonstrate impressive zero-shot capabilities on downstream tasks. Prior research highlights the crucial role of visual augmentation techniques, like random cropping, in alignment with fine-grained class descriptions generated by large language models (LLMs), significantly enhancing zero-shot performance by incorporating multi-view information. However, the inherent randomness of these augmentations can inevitably introduce background artifacts and cause models to overly focus on local details, compromising global semantic understanding. To address these issues, we propose an **A**ttention-**B**ased **S**election (**ABS**) method from local details to global context, which applies attention-guided cropping in both raw images and feature space, supplement global semantic information through strategic feature selection. Additionally, we introduce a soft matching technique to effectively filter LLM descriptions for better alignment. **ABS** achieves state-of-the-art performance on out-of-distribution generalization and zero-shot classification tasks. Notably, **ABS** is training-free and even rivals few-shot and test-time adaptation methods.

Poster
Hypothesis Testing for Generalized Thurstone Models

Anuran Makur, Japneet Singh

展开摘要

In this work, we develop a hypothesis testing framework to determine whether pairwise comparison data is generated by an underlying *generalized Thurstone model* $\mathcal{T}_F$ for a given choice function $F$. While prior work has predominantly focused on parameter estimation and uncertainty quantification for such models, we address the fundamental problem of minimax hypothesis testing for $\mathcal{T}_F$ models. We formulate this testing problem by introducing a notion of separation distance between general pairwise comparison models and the class of $\mathcal{T}_F$ models. We then derive upper and lower bounds on the critical threshold for testing that depend on the topology of the observation graph. For the special case of complete observation graphs, this threshold scales as $\Theta((nk)^{-1/2})$, where $n$ is the number of agents and $k$ is the number of comparisons per pair. Furthermore, we propose a hypothesis test based on our separation distance, construct confidence intervals, establish time-uniform bounds on the probabilities of type I and II errors using reverse martingale techniques, and derive minimax lower bounds using information-theoretic methods. Finally, we validate our results through experiments on synthetic and real-world datasets.

Poster
Enhancing Spectral GNNs: From Topology and Perturbation Perspectives

Taoyang Qin, Ke-Jia CHEN, Zheng Liu

展开摘要

Spectral Graph Neural Networks process graph signals using the spectral properties of the normalized graph Laplacian matrix. However, the frequent occurrence of repeated eigenvalues limits the expressiveness of spectral GNNs. To address this, we propose a higher-dimensional sheaf Laplacian matrix, which not only encodes the graph's topological information but also increases the upper bound on the number of distinct eigenvalues. The sheaf Laplacian matrix is derived from carefully designed perturbations of the block form of the normalized graph Laplacian, yielding a perturbed sheaf Laplacian (PSL) matrix with more distinct eigenvalues. We provide a theoretical analysis of the expressiveness of spectral GNNs equipped with the PSL and establish perturbation bounds for the eigenvalues. Extensive experiments on benchmark datasets for node classification demonstrate that incorporating the perturbed sheaf Laplacian enhances the performance of spectral GNNs.

Poster