OpenRaiser/Intern-Atlas huggingface dataset:
Design Considerations in Offline Preference-based RL
Venue: Conference ICML 2025
Year: 2025

Offline algorithms for Reinforcement Learning from Human Preferences (RLHF), which use only a fixed dataset of sampled responses given an input, and preference feedback among these responses, have gained increasing prominence in the literature on aligning language models. In this paper, we study how the different design choices made in methods such as DPO, IPO, SLiC and many variants influence the quality of the learned policy, from a theoretical perspective. Our treatment yields insights into the choices of loss function, the policy which is used to normalize log-likelihoods, and also the role of the data sampling policy. Notably, our results do not rely on the standard reparameterization-style arguments used to motivate some of the algorithms in this family, which allows us to give a unified treatment to a broad class of methods. We also conduct a small empirical study to verify some of the theoretical findings on a standard summarization benchmark.
MedXpertQA: Benchmarking Expert-Level Medical Reasoning and Understanding
Venue: Conference ICML 2025
Year: 2025

We introduce MedXpertQA, a highly challenging and comprehensive benchmark to evaluate expert-level medical knowledge and advanced reasoning. MedXpertQA includes 4,460 questions spanning 17 specialties and 11 body systems. It includes two subsets, Text for text evaluation and MM for multimodal evaluation. Notably, MM introduces expert-level exam questions with diverse images and rich clinical information, including patient records and examination results, setting it apart from traditional medical multimodal benchmarks with simple QA pairs generated from image captions. MedXpertQA applies rigorous filtering and augmentation to address the insufficient difficulty of existing benchmarks like MedQA, and incorporates specialty board questions to improve clinical relevance and comprehensiveness. We perform data synthesis to mitigate data leakage risk and conduct multiple rounds of expert reviews to ensure accuracy and reliability. We evaluate 18 leading models on \benchmark. Moreover, medicine is deeply connected to real-world decision-making, providing a rich and representative setting for assessing reasoning abilities beyond mathematics and code. To this end, we develop a reasoning-oriented subset to facilitate the assessment of o1-like models. Code and data are available at: https://github.com/TsinghuaC3I/MedXpertQA
Proto Successor Measure: Representing the Behavior Space of an RL Agent
Venue: Conference ICML 2025
Year: 2025

Having explored an environment, intelligent agents should be able to transfer their knowledge to most downstream tasks within that environment without additional interactions. Referred to as "zero-shot learning", this ability remains elusive for general-purpose reinforcement learning algorithms. While recent works have attempted to produce zero-shot RL agents, they make assumptions about the nature of the tasks or the structure of the MDP. We present Proto Successor Measure: the basis set for all possible behaviors of a Reinforcement Learning Agent in a dynamical system. We prove that any possible behavior (represented using visitation distributions) can be represented using an affine combination of these policy-independent basis functions. Given a reward function at test time, we simply need to find the right set of linear weights to combine these bases corresponding to the optimal policy. We derive a practical algorithm to learn these basis functions using reward-free interaction data from the environment and show that our approach can produce the optimal policy at test time for any given reward function without additional environmental interactions. Project page: https://agarwalsiddhant10.github.io/projects/psm.html.
Otter: Generating Tests from Issues to Validate SWE Patches
Venue: Conference ICML 2025
Year: 2025

While there has been plenty of work on generating tests from existing code, there has been limited work on generating tests from issues. A correct test must validate the code patch that resolves the issue. This paper focuses on the scenario where that code patch does not yet exist. Doing so supports two major use-cases. First, it supports TDD (test-driven development), the discipline of "test first, write code later" that has well-documented benefits for human software engineers. Second, it also validates SWE (software engineering) agents, which generate code patches for resolving issues. This paper introduces TDD-Bench-Verified, a benchmark for generating tests from issues, and Otter, an LLM-based solution for this task. Otter augments LLMs with rule-based analysis to check and repair their outputs, and introduces a novel self-reflective action planner. Experiments show Otter outperforming state-of-the-art systems for generating tests from issues, in addition to enhancing systems that generate patches from issues. We hope that Otter helps make developers more productive at resolving issues and leads to more robust, well-tested code.
GAPrompt: Geometry-Aware Point Cloud Prompt for 3D Vision Model
Venue: Conference ICML 2025
Year: 2025

Pre-trained 3D vision models have gained significant attention for their promising performance on point cloud data. However, fully fine-tuning these models for downstream tasks is computationally expensive and storage-intensive. Existing parameter-efficient fine-tuning (PEFT) approaches, which focus primarily on input token prompting, struggle to achieve competitive performance due to their limited ability to capture the geometric information inherent in point clouds. To address this challenge, we propose a novel Geometry-Aware Point Cloud Prompt (GAPrompt) that leverages geometric cues to enhance the adaptability of 3D vision models. First, we introduce a Point Prompt that serves as an auxiliary input alongside the original point cloud, explicitly guiding the model to capture fine-grained geometric details. Additionally, we present a Point Shift Prompter designed to extract global shape information from the point cloud, enabling instance-specific geometric adjustments at the input level. Moreover, our proposed Prompt Propagation mechanism incorporates the shape information into the model's feature extraction process, further strengthening its ability to capture essential geometric characteristics. Extensive experiments demonstrate that GAPrompt significantly outperforms state-of-the-art PEFT methods and achieves competitive results compared to full fine-tuning on various benchmarks, while utilizing only 2.19% of trainable parameters. Our code is available at https://github.com/zhoujiahuan1991/ICML2025-GAPrompt.
Vision Graph Prompting via Semantic Low-Rank Decomposition
Venue: Conference ICML 2025
Year: 2025

Vision GNN (ViG) demonstrates superior performance by representing images as graph structures, providing a more natural way to capture irregular semantic patterns beyond traditional grid or sequence-based representations. To efficiently adapt ViG to downstream tasks, parameter-efficient fine-tuning techniques like visual prompting become increasingly essential. However, existing prompting methods are primarily designed for Transformer-based models, neglecting the rich topological relationships among nodes and edges in graph-based representations, limiting their capacity to model complex semantics. In this paper, we propose Vision Graph Prompting (VGP), a novel framework tailored for vision graph structures. Our core insight reveals that semantically connected components in the graph exhibit low-rank properties. Building on this observation, we introduce a semantic low-rank prompting method that decomposes low-rank semantic features and integrates them with prompts on vision graph topologies, capturing both global structural patterns and fine-grained semantic dependencies. Extensive experiments demonstrate our method significantly improves ViG's transfer performance on diverse downstream tasks, achieving results comparable to full fine-tuning while maintaining parameter efficiency. Our code is available at https://github.com/zhoujiahuan1991/ICML2025-VGP.
Simple Path Structural Encoding for Graph Transformers
Venue: Conference ICML 2025
Year: 2025

Graph transformers extend global self-attention to graph-structured data, achieving notable success in graph learning. Recently, random walk structural encoding (RWSE) has been found to further enhance their predictive power by encoding both structural and positional information into the edge representation. However, RWSE cannot always distinguish between edges that belong to different local graph patterns, which reduces its ability to capture the full structural complexity of graphs. This work introduces Simple Path Structural Encoding (SPSE), a novel method that utilizes simple path counts for edge encoding. We show theoretically and experimentally that SPSE overcomes the limitations of RWSE, providing a richer representation of graph structures, particularly for capturing local cyclic patterns. To make SPSE computationally tractable, we propose an efficient approximate algorithm for simple path counting. SPSE demonstrates significant performance improvements over RWSE on various benchmarks, including molecular and long-range graph datasets, achieving statistically significant gains in discriminative tasks. These results pose SPSE as a powerful edge encoding alternative for enhancing the expressivity of graph transformers.
Nesterov Method for Asynchronous Pipeline Parallel Optimization
Venue: Conference ICML 2025
Year: 2025

Pipeline Parallelism (PP) enables large neural network training on small, interconnected devices by splitting the model into multiple stages. To maximize pipeline utilization, asynchronous optimization is appealing as it offers 100% pipeline utilization by construction. However, it is inherently challenging as the weights and gradients are no longer synchronized, leading to stale (or delayed) gradients. To alleviate this, we introduce a variant of Nesterov Accelerated Gradient (NAG) for asynchronous optimization in PP. Specifically, we modify the look-ahead step in NAG to effectively address the staleness in gradients. We theoretically prove that our approach converges at a sublinear rate in the presence of fixed delay in gradients. Our experiments on large-scale language modelling tasks using decoder-only architectures with up to 1B parameters, demonstrate that our approach significantly outperforms existing asynchronous methods, even surpassing the synchronous baseline.
When, Where and Why to Average Weights?
Venue: Conference ICML 2025
Year: 2025

Averaging checkpoints along the training trajectory is a simple yet powerful approach to improve the generalization performance of Machine Learning models and reduce training time. Motivated by these potential gains, and in an effort to fairly and thoroughly benchmark this technique, we present an extensive evaluation of averaging techniques in modern Deep Learning, which we perform using AlgoPerf \citep{dahl_benchmarking_2023}, a large-scale benchmark for optimization algorithms. We investigate whether weight averaging can reduce training time, improve generalization, and replace learning rate decay, as suggested by recent literature. Our evaluation across seven architectures and datasets reveals that averaging significantly accelerates training and yields considerable efficiency gains, at the price of a minimal implementation and memory cost, while mildly improving generalization across all considered workloads. Finally, we explore the relationship between averaging and learning rate annealing and show how to optimally combine the two to achieve the best performances.
The Surprising Effectiveness of Test-Time Training for Few-Shot Learning
Venue: Conference ICML 2025
Year: 2025

Language models (LMs) have shown impressive performance on tasks within their training distribution, but often struggle with structurally novel tasks even when given a small number of in-context task examples. We investigate the effectiveness of test-time training (TTT) -- temporarily updating model parameters during inference using a loss derived from input data -- as a mechanism for improving LMs' reasoning and few-shot learning capabilities. On the Abstraction and Reasoning Corpus (ARC), performing TTT with in-context examples yields up to $6\times$ higher accuracy compared to fine-tuned baselines -- reaching $53.0\%$ on the public validation set with an 8B-parameter LM and $61.9\%$ when ensembled with program-synthesis methods, matching average human performance. On BIG-Bench Hard (BBH), TTT on in-context examples surpasses standard few-shot prompting in the $10$-shot setting by $7.3$ percentage points ($50.5\%$ to $57.8\%$). Our findings highlight the limitations of in-context learning for novel tasks and demonstrate the potential of test-time training to enhance language model adaptability.
A Tale of Two Structures: Do LLMs Capture the Fractal Complexity of Language?
Venue: Conference ICML 2025
Year: 2025

Language exhibits a fractal structure in its information-theoretic complexity (i.e. bits per token), with self-similarity across scales and long-range dependence (LRD). In this work, we investigate whether large language models (LLMs) can replicate such fractal characteristics and identify conditions-such as temperature setting and prompting method-under which they may fail. Moreover, we find that the fractal parameters observed in natural language are contained within a narrow range, whereas those of LLMs' output vary widely, suggesting that fractal parameters might prove helpful in detecting a non-trivial portion of LLM-generated texts. Notably, these findings, and many others reported in this work, are robust to the choice of the architecture; e.g. Gemini 1.0 Pro, Mistral-7B and Gemma-2B. We also release a dataset comprising of over 240,000 articles generated by various LLMs (both pretrained and instruction-tuned) with different decoding temperatures and prompting methods, along with their corresponding human-generated texts. We hope that this work highlights the complex interplay between fractal properties, prompting, and statistical mimicry in LLMs, offering insights for generating, evaluating and detecting synthetic texts.
NETS: A Non-equilibrium Transport Sampler
Venue: Conference ICML 2025
Year: 2025

We propose an algorithm, termed the Non-Equilibrium Transport Sampler (NETS), to sample from unnormalized probability distributions. NETS can be viewed as a variant of annealed importance sampling (AIS) based on Jarzynski's equality, in which the stochastic differential equation used to perform the non-equilibrium sampling is augmented with an additional learned drift term that lowers the impact of the unbiasing weights used in AIS. We show that this drift is the minimizer of a variety of objective functions, which can all be estimated in an unbiased fashion without backpropagating through solutions of the stochastic differential equations governing the sampling. We also prove that some these objectives control the Kullback-Leibler divergence of the estimated distribution from its target. NETS is shown to be unbiased and, in addition, has a tunable diffusion coefficient which can be adjusted post-training to maximize the effective sample size. We demonstrate the efficacy of the method on standard benchmarks, high-dimensional Gaussian mixture distributions, and a model from statistical lattice field theory, for which it surpasses the performances of related work and existing baselines.
Prediction via Shapley Value Regression
Venue: Conference ICML 2025
Year: 2025

Shapley values have several desirable, theoretically well-supported, properties for explaining black-box model predictions. Traditionally, Shapley values are computed post-hoc, leading to additional computational cost at inference time. To overcome this, a novel method, called ViaSHAP, is proposed, that learns a function to compute Shapley values, from which the predictions can be derived directly by summation. Two approaches to implement the proposed method are explored; one based on the universal approximation theorem and the other on the Kolmogorov-Arnold representation theorem. Results from a large-scale empirical investigation are presented, showing that ViaSHAP using Kolmogorov-Arnold Networks performs on par with state-of-the-art algorithms for tabular data. It is also shown that the explanations of ViaSHAP are significantly more accurate than the popular approximator FastSHAP on both tabular data and images.
Differentiable Quadratic Optimization For the Maximum Independent Set Problem
Venue: Conference ICML 2025
Year: 2025

Combinatorial Optimization (CO) addresses many important problems, including the challenging Maximum Independent Set (MIS) problem. Alongside exact and heuristic solvers, differentiable approaches have emerged, often using continuous relaxations of ReLU-based or quadratic objectives. Noting that an MIS in a graph is a Maximum Clique (MC) in its complement, we propose a new quadratic formulation for MIS by incorporating an MC term, improving convergence and exploration. We show that every maximal independent set corresponds to a local minimizer, derive conditions with respect to the MIS size, and characterize stationary points. To tackle the non-convexity of the objective, we propose optimizing several initializations in parallel using momentum-based gradient descent, complemented by an efficient MIS checking criterion derived from our theory. We dub our method as parallelized Clique-Informed Quadratic Optimization for MIS (pCQO-MIS). Our experimental results demonstrate the effectiveness of the proposed method compared to exact, heuristic, sampling, and data-centric approaches. Notably, our method avoids the out-of-distribution tuning and reliance on (un)labeled data required by data-centric methods, while achieving superior MIS sizes and competitive runtime relative to their inference time. Additionally, a key advantage of pCQO-MIS is that, unlike exact and heuristic solvers, the runtime scales only with the number of nodes in the graph, not the number of edges. Our code is available at the GitHub repository: https://github.com/ledenmat/pCQO-mis-benchmark/tree/refactor.
Direct Motion Models for Assessing Generated Videos
Venue: Conference ICML 2025
Year: 2025

A current limitation of video generative video models is that they generate plausible looking frames, but poor motion -- an issue that is not well captured by FVD and other popular methods for evaluating generated videos. Here we go beyond FVD by developing a metric which better measures plausible object interactions and motion. Our novel approach is based on auto-encoding point tracks and yields motion features that can be used to not only compare distributions of videos (as few as one generated and one ground truth, or as many as two datasets), but also for evaluating motion of single videos. We show that using point tracks instead of pixel reconstruction or action recognition features results in a metric which is markedly more sensitive to temporal distortions in synthetic data, and can predict human evaluations of temporal consistency and realism in generated videos obtained from open-source models better than a wide range of alternatives. We also show that by using a point track representation, we can spatiotemporally localize generative video inconsistencies, providing extra interpretability of generated video errors relative to prior work. An overview of the results and link to the code can be found on the project page: http://trajan-paper.github.io.
Towards Trustworthy Federated Learning with Untrusted Participants
Venue: Conference ICML 2025
Year: 2025

Resilience against malicious participants and data privacy are essential for trustworthy federated learning, yet achieving both with good utility typically requires the strong assumption of a trusted central server. This paper shows that a significantly weaker assumption suffices: each pair of participants shares a randomness seed unknown to others. In a setting where malicious participants may collude with an untrusted server, we propose CafCor, an algorithm that integrates robust gradient aggregation with correlated noise injection, using shared randomness between participants. We prove that CafCor achieves strong privacy-utility trade-offs, significantly outperforming local differential privacy (DP) methods, which do not make any trust assumption, while approaching central DP utility, where the server is fully trusted. Empirical results on standard benchmarks validate CafCor's practicality, showing that privacy and robustness can coexist in distributed systems without sacrificing utility or trusting the server.
Subgroups Matter for Robust Bias Mitigation
Venue: Conference ICML 2025
Year: 2025

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 results reveal that subgroup choice significantly impacts performance, with certain groupings paradoxically leading to worse outcomes than no mitigation at all. Our findings 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.
Aligning Multimodal Representations through an Information Bottleneck
Venue: Conference ICML 2025
Year: 2025

Contrastive losses have been extensively used as a tool for multimodal representation learning. However, it has been empirically observed that their use is not effective to learn an aligned representation space. In this paper, we argue that this phenomenon is caused by the presence of modality-specific information in the representation space. Although some of the most widely used contrastive losses maximize the mutual information between representations of both modalities, they are not designed to remove the modality-specific information. We give a theoretical description of this problem through the lens of the Information Bottleneck Principle. We also empirically analyze how different hyperparameters affect the emergence of this phenomenon in a controlled experimental setup. Finally, we propose a regularization term in the loss function that is derived by means of a variational approximation and aims to increase the representational alignment. We analyze in a set of controlled experiments and real-world applications the advantages of including this regularization term.