ICML 2025 论文列表

Off-policy learning and evaluation leverage logged bandit feedback datasets, which contain context, action, propensity score, and feedback for each data point. These scenarios face significant challenges due to high variance and poor performance with low-quality propensity scores and heavy-tailed reward distributions. We address these issues by introducing a novel estimator based on the log-sum-exponential (LSE) operator, which outperforms traditional inverse propensity score estimators. Our LSE estimator demonstrates variance reduction and robustness under heavy-tailed conditions. For off-policy evaluation, we derive upper bounds on the estimator's bias and variance. In the off-policy learning scenario, we establish bounds on the regret—the performance gap between our LSE estimator and the optimal policy—assuming bounded $(1+\epsilon)$-th moment of weighted reward. Notably, we achieve a convergence rate of $O(n^{-\epsilon/(1+\epsilon)})$ for the regret bounds, where $\epsilon\in[0,1]$ and $n$ is the size of logged bandit feedback dataset. Theoretical analysis is complemented by comprehensive empirical evaluations in both off-policy learning and evaluation scenarios, confirming the practical advantages of our approach. The code for our estimator is available at the following link: https://github.com/armin-behnamnia/lse-offpolicy-learning .

Recent advancements in Large Vision-Language Models built upon Large Language Models have established aligning visual features with LLM representations as the dominant paradigm. However, inherited LLM architectural designs introduce suboptimal characteristics for multimodal processing. First, LVLMs exhibit a bimodal distribution in attention allocation, leading to the progressive neglect of middle visual content as context expands. Second, conventional positional encoding schemes fail to preserve vital 2D structural relationships when processing dynamic high-resolution images. To address these limitations, we propose **CoMemo** - a dual-path architecture that combines a **Co**ntext image path with an image **Memo**ry path for visual processing, effectively alleviating visual information neglect. Additionally, we introduce RoPE-DHR, a novel positional encoding mechanism that employs thumbnail-based positional aggregation to maintain 2D spatial awareness while mitigating remote decay in extended sequences. Evaluations across seven benchmarks,including long-context comprehension, multi-image reasoning, and visual question answering, demonstrate CoMemo's superior performance compared to conventional LVLM architectures. Project page is available at [https://lalbj.github.io/projects/CoMemo/](https://lalbj.github.io/projects/CoMemo/).

AI for Mathematics (AI4Math) is intellectually intriguing and is crucial for AI-driven system design and verification. Extensive efforts on AI4Math have mirrored techniques in NLP, in particular, training large language models on carefully curated math datasets in text form. As a complementary yet less explored avenue, formal mathematical reasoning is grounded in formal systems such as proof assistants, which can verify the correctness of reasoning and provide automatic feedback. This position paper advocates formal mathematical reasoning as an indispensable component in future AI for math, formal verification, and verifiable generation. We summarize existing progress, discuss open challenges, and envision critical milestones to measure future success.

Reward shaping has been demonstrated to be an effective technique for accelerating the learning process of reinforcement learning (RL) agents. While successful in empirical applications, the design of a good shaping function is less well understood in principle and thus often relies on domain expertise and manual design. To overcome this limitation, we propose a novel automated approach for designing reward functions from offline data, possibly contaminated with the unobserved confounding bias.We propose to use causal state value upper bounds calculated from offline datasets as a conservative optimistic estimation of the optimal state value, which is then used as state potentials in Potential-Based Reward Shaping (PBRS). When applying our shaping function to a model-free learner based on UCB principles, we show that it enjoys a better gap-dependent regret bound than the learner without shaping. To the best of our knowledge, this is the first gap-dependent regret bound for PBRS in model-free learning with online exploration. Simulations support the theoretical findings.

De novo peptide sequencing is a critical task in proteomics. However, the performance of current deep learning-based methods is limited by the inherent complexity of mass spectrometry data and the heterogeneous distribution of noise signals, leading to data-specific biases. We present RankNovo, the first deep reranking framework that enhances de novo peptide sequencing by leveraging the complementary strengths of multiple sequencing models. RankNovo employs a list-wise reranking approach, modeling candidate peptides as multiple sequence alignments and utilizing axial attention to extract informative features across candidates. Additionally, we introduce two new metrics, PMD (**P**eptide **M**ass **D**eviation) and RMD (**R**esidual**M**ass **D**eviation), which offer delicate supervision by quantifying mass differences between peptides at both the sequence and residue levels. Extensive experiments demonstrate that RankNovo not only surpasses its base models used to generate training candidates for reranking pre-training, but also sets a new state-of-the-art benchmark. Moreover, RankNovo exhibits strong zero-shot generalization to unseen models—those whose generations were not exposed during training, highlighting its robustness and potential as a universal reranking framework for peptide sequencing. Our work presents a novel reranking strategy that fundamentally challenges existing single-model paradigms and advances the frontier of accurate de novo sequencing. Our source code is provided on GitHub.

We propose a simple, training-free mechanism which explains the generalization behaviour of diffusion models. By comparing pre-trained diffusion models to their theoretically optimal empirical counterparts, we identify a shared local inductive bias across a variety of network architectures. From this observation, we hypothesize that network denoisers generalize through localized denoising operations, as these operations approximate the training objective well over much of the training distribution. To validate our hypothesis, we introduce novel denoising algorithms which aggregate local empirical denoisers to replicate network behaviour. Comparing these algorithms to network denoisers across forward and reverse diffusion processes, our approach exhibits consistent visual similarity to neural network outputs, with lower mean squared error than previously proposed methods.

For federated learning (FL) algorithms such as FedSAM, their generalization capability is crucial for real-word applications. In this paper, we revisit the generalization problem in FL and investigate the impact of data heterogeneity on FL generalization. We find that FedSAM usually performs worse than FedAvg in the case of highly heterogeneous data, and thus propose a novel and effective federated learning algorithm with Stochastic Weight Averaging (called \texttt{FedSWA}), which aims to find flatter minima in the setting of highly heterogeneous data. Moreover, we introduce a new momentum-based stochastic controlled weight averaging FL algorithm (\texttt{FedMoSWA}), which is designed to better align local and global models. Theoretically, we provide both convergence analysis and generalization bounds for \texttt{FedSWA} and \texttt{FedMoSWA}. We also prove that the optimization and generalization errors of \texttt{FedMoSWA} are smaller than those of their counterparts, including FedSAM and its variants. Empirically, experimental results on CIFAR10/100 and Tiny ImageNet demonstrate the superiority of the proposed algorithms compared to their counterparts.

We propose *LEAPS*, an algorithm to sample from discrete distributions known up to normalization by learning a rate matrix of a continuous-time Markov chain (CTMC). LEAPS can be seen as a continuous-time formulation of annealed importance sampling and sequential Monte Carlo methods, extended so that the variance of the importance weights is offset by the inclusion of the CTMC. To derive these importance weights, we introduce a set of Radon-Nikodym derivatives of CTMCs over their path measures. Because the computation of these weights is intractable with standard neural network parameterizations of rate matrices, we devise a new compact representation for rate matrices via what we call \textit{locally equivariant} functions. To parameterize them, we introduce a family of locally equivariant multilayer perceptrons, attention layers, and convolutional networks, and provide an approach to make deep networks that preserve the local equivariance. This property allows us to propose a scalable training algorithm for the rate matrix such that the variance of the importance weights associated to the CTMC are minimal. We demonstrate the efficacy of LEAPS on problems in statistical physics. We provide code in https://github.com/malbergo/leaps/.

Nash equilibrium (NE) plays an important role in game theory. How to efficiently compute an NE in NFGs is challenging due to its complexity and non-convex optimization property. Machine Learning (ML), the cornerstone of modern artificial intelligence, has demonstrated remarkable empirical performance across various applications including non-convex optimization. To leverage non-convex stochastic optimization techniques from ML for approximating an NE, various loss functions have been proposed. Among these, only one loss function is unbiased, allowing for unbiased estimation under the sampled play. Unfortunately, this loss function suffers from high variance, which degrades the convergence rate. To improve the convergence rate by mitigating the high variance associated with the existing unbiased loss function, we propose a novel surrogate loss function named Nash Advantage Loss (NAL). NAL is theoretically proved unbiased and exhibits significantly lower variance than the existing unbiased loss function. Experimental results demonstrate that the algorithm minimizing NAL achieves a significantly faster empirical convergence rates compared to other algorithms, while also reducing the variance of estimated loss value by several orders of magnitude.

Collaborative training methods like Federated Learning (FL) and Split Learning (SL) enable distributed machine learning without sharing raw data. However, FL assumes clients can train entire models, which is infeasible for large-scale models. In contrast, while SL alleviates the client memory constraint in FL by offloading most training to the server, it increases network latency due to its sequential nature. Other methods address the conundrum by using local loss functions for parallel client-side training to improve efficiency, but they lack server feedback and potentially suffer poor accuracy. We propose FSL-SAGE (Federated Split Learning via Smashed Activation Gradient Estimation), a new federated split learning algorithm that estimates server-side gradient feedback via auxiliary models. These auxiliary models periodically adapt to emulate server behavior on local datasets. We show that FSL-SAGE achieves a convergence rate of $\mathcal{O}(1/\sqrt{T})$, where $T$ is the number of communication rounds. This result matches FedAvg, while significantly reducing communication costs and client memory requirements. Our empirical results also verify that it outperforms existing state-of-the-art FSL methods, offering both communication efficiency and accuracy.

Web-crawled image-text pairs are inherently noisy. Prior studies demonstrate that semantically aligning and enriching textual descriptions of these pairs can significantly enhance model training across various vision-language tasks, particularly text-to-image generation. However, large-scale investigations in this area remain predominantly closed-source. Our paper aims to bridge this community effort, leveraging the powerful and $\textit{open-sourced}$ LLaMA-3, a GPT-4 level LLM. Our recaptioning pipeline is simple: first, we fine-tune a LLaMA-3-8B powered LLaVA-1.5 and then employ it to recaption ~1.3 billion images from the DataComp-1B dataset. Our empirical results confirm that this enhanced dataset, Recap-DataComp-1B, offers substantial benefits in training advanced vision-language models. For discriminative models like CLIP, we observe an average of 3.1% enhanced zero-shot performance cross four cross-modal retrieval tasks using a mixed set of the original and our captions. For generative models like text-to-image Diffusion Transformers, the generated images exhibit a significant improvement in alignment with users' text instructions, especially in following complex queries. Our project page is https://www.haqtu.me/Recap-Datacomp-1B/.

Causal machine learning (ML) promises to provide powerful tools for estimating individual treatment effects. While causal methods have placed some emphasis on heterogeneity in treatment response, it is of paramount importance to clarify the nature of this heterogeneity, by highlighting which variables drive it. We propose PermuCATE, an algorithm based on the Conditional Permutation Importance (CPI) method, for statistically rigorous global variable importance assessment in the estimation of the Conditional Average Treatment Effect (CATE). Theoretical analysis of the finite sample regime and empirical studies show that PermuCATE has lower variance than the Leave-One-Covariate-Out (LOCO) method and provides a reliable measure of variable importance. This property increases statistical power, which is crucial for causal inference applications with finite sample sizes. We empirically demonstrate the benefits of PermuCATE in simulated and real datasets, including complex settings with high-dimensional, correlated variables.

Invisible watermarking is widely used to protect digital images from unauthorized use. Accurate assessment of watermarking efficacy is crucial for advancing algorithmic development. However, existing statistical metrics, such as PSNR, rely on access to original images, which are often unavailable in text-driven generative watermarking and fail to capture critical aspects of watermarking, particularly visibility. More importantly, these metrics fail to account for potential corruption of image content. To address these limitations, we propose WMarkGPT, the first multimodal large language model (MLLM) specifically designed for comprehensive watermarked image understanding, without accessing original images. WMarkGPT not only predicts watermark visibility but also generates detailed textual descriptions of its location, content, and impact on image semantics, enabling a more nuanced interpretation of watermarked images. Tackling the challenge of precise location description and understanding images with vastly different content, we construct three visual question-answering (VQA) datasets: an object location-aware dataset, a synthetic watermarking dataset, and a real watermarking dataset. We introduce a meticulously designed three-stage learning pipeline to progressively equip WMarkGPT with the necessary abilities. Extensive experiments on synthetic and real watermarking QA datasets demonstrate that WMarkGPT outperforms existing MLLMs, achieving significant improvements in visibility prediction and content description. The datasets and code are released at https://github.com/TanSongBai/WMarkGPT.

The rapid advancement of speech generation models has heightened privacy and security concerns related to voice cloning (VC). Recent studies have investigated disrupting unauthorized voice cloning by introducing adversarial perturbations. However, determined attackers can mitigate these protective perturbations and successfully execute VC. In this study, we conduct the first systematic evaluation of these protective perturbations against VC under realistic threat models that include perturbation purification. Our findings reveal that while existing purification methods can neutralize a considerable portion of the protective perturbations, they still lead to distortions in the feature space of VC models, which degrades the performance of VC. From this perspective, we propose a novel two-stage purification method: (1) Purify the perturbed speech; (2) Refine it using phoneme guidance to align it with the clean speech distribution. Experimental results demonstrate that our method outperforms state-of-the-art purification methods in disrupting VC defenses. Our study reveals the limitations of adversarial perturbation-based VC defenses and underscores the urgent need for more robust solutions to mitigate the security and privacy risks posed by VC. The code and audio samples are available at https://de-antifake.github.io.

We design a suite of minimal algorithmic tasks that are a loose abstraction of _open-ended_ real-world tasks. This allows us to cleanly and controllably quantify the creative limits of the present-day language model. Much like real-world tasks that require a creative, far-sighted leap of thought, our tasks require an implicit, open-ended _stochastic_ planning step that either (a) discovers new connections in an abstract knowledge graph (like in wordplay, drawing analogies, or research) or (b) constructs new patterns (like in designing math problems or new proteins). In these tasks, we empirically and conceptually argue how next-token learning is myopic and memorizes excessively; multi-token approaches, namely teacherless training and diffusion models, comparatively excel in producing diverse and original output. Secondly, to elicit randomness without hurting coherence, we find that injecting noise at the input layer (dubbed _seed-conditioning_) works surprisingly as well as (and in some conditions, better than) temperature sampling from the output layer. Thus, our work offers a principled, minimal test-bed for analyzing open-ended creative skills, and offers new arguments for going beyond next-token learning and temperature sampling. We make part of the code available under https://github.com/chenwu98/algorithmic-creativity

Streaming generation models are utilized across fields, with the Transducer architecture being popular in industrial applications. However, its input-synchronous decoding mechanism presents challenges in tasks requiring non-monotonic alignments, such as simultaneous translation. In this research, we address this issue by integrating Transducer's decoding with the history of input stream via a learnable monotonic attention. Our approach leverages the forward-backward algorithm to infer the posterior probability of alignments between the predictor states and input timestamps, which is then used to estimate the monotonic context representations, thereby avoiding the need to enumerate the exponentially large alignment space during training. Extensive experiments show that our MonoAttn-Transducer effectively handles non-monotonic alignments in streaming scenarios, offering a robust solution for complex generation tasks. Code is available at https://github.com/ictnlp/MonoAttn-Transducer.

Out-of-distribution (OOD) robustness is a desired property of computer vision models. Improving model robustness requires high-quality signals from robustness benchmarks to quantify progress. While various benchmark datasets such as ImageNet-C were proposed in the ImageNet era, most ImageNet-C corruption types are no longer OOD relative to today's large, web-scraped datasets, which already contain common corruptions such as blur or JPEG compression artifacts. Consequently, these benchmarks are no longer well-suited for evaluating OOD robustness in the era of web-scale datasets. Indeed, recent models show saturating scores on ImageNet-era OOD benchmarks, indicating that it is unclear whether models trained on web-scale datasets truly become better at OOD generalization or whether they have simply been exposed to the test distortions during training. To address this, we introduce LAION-C as a benchmark alternative for ImageNet-C. LAION-C consists of six novel distortion types specifically designed to be OOD, even for web-scale datasets such as LAION. In a comprehensive evaluation of state-of-the-art models, we find that the LAION-C dataset poses significant challenges to contemporary models, including MLLMs such as Gemini and GPT-4o. We additionally conducted a psychophysical experiment to evaluate the difficulty of our corruptions for human observers, enabling a comparison of models to lab-quality human robustness data. We observe a paradigm shift in OOD generalization: from humans outperforming models, to the best models now matching or outperforming the best human observers.

Although significant advancements have been achieved in the progress of keypoint-guided Text-to-Image diffusion models, existing mainstream keypoint-guided models encounter challenges in controlling the generation of more general non-rigid objects beyond humans (e.g., animals). Moreover, it is difficult to generate multiple overlapping humans and animals based on keypoint controls solely. These challenges arise from two main aspects: the inherent limitations of existing controllable methods and the lack of suitable datasets. First, we design a DiT-based framework, named UniMC, to explore unifying controllable multi-class image generation. UniMC integrates instance- and keypoint-level conditions into compact tokens, incorporating attributes such as class, bounding box, and keypoint coordinates. This approach overcomes the limitations of previous methods that struggled to distinguish instances and classes due to their reliance on skeleton images as conditions. Second, we propose HAIG-2.9M, a large-scale, high-quality, and diverse dataset designed for keypoint-guided human and animal image generation. HAIG-2.9M includes 786K images with 2.9M instances. This dataset features extensive annotations such as keypoints, bounding boxes, and fine-grained captions for both humans and animals, along with rigorous manual inspection to ensure annotation accuracy. Extensive experiments demonstrate the high quality of HAIG-2.9M and the effectiveness of UniMC, particularly in heavy occlusions and multi-class scenarios.

In this paper, we empirically demonstrate that natural images can be reconstructed with high fidelity from compressed representations using a simple first-order norm-plus-linear autoregressive (FINOLA) process—without relying on explicit positional information. Through systematic analysis, we observe that the learned coefficient matrices ($\mathbf{A}$ and $\mathbf{B}$) in FINOLA are typically invertible, and their product, $\mathbf{AB}^{-1}$, is diagonalizable across training runs. This structure enables a striking interpretation: FINOLA’s latent dynamics resemble a system of one-way wave equations evolving in a compressed latent space. Under this framework, each image corresponds to a unique solution of these equations. This offers a new perspective on image invariance, suggesting that the underlying structure of images may be governed by simple, invariant dynamic laws. Our findings shed light on a novel avenue for understanding and modeling visual data through the lens of latent-space dynamics and wave propagation.