ICML 2025 论文列表

Automated code generation with large language models has gained significant traction, but there remains no guarantee of the correctness of generated code. We aim to use formal verification to provide mathematical guarantees that the generated code is correct. However, generating formally verified code with LLMs is hindered by the scarcity of training data and the complexity of formal proofs. To tackle this challenge, we introduce AlphaVerus, a self-improving framework that bootstraps formally verified code generation by iteratively translating programs from a higher-resource language and leveraging feedback from a verifier. AlphaVerus operates in three phases: exploration of candidate translations, Treefinement -- a novel tree search algorithm for program refinement using verifier feedback, and filtering misaligned specifications and programs to prevent reward hacking. Through this iterative process, AlphaVerus enables the LLaMA-3.1-70B model to generate verified code without human intervention or model finetuning. AlphaVerus shows an ability to generate formally verified solutions for HumanEval and MBPP, laying the groundwork for truly trustworthy code-generation agents.

Language model pretraining involves training on extensive corpora, where data quality plays a pivotal role. In this work, we aim to directly estimate the contribution of data during pretraining and select pretraining data in an efficient manner. Specifically, we draw inspiration from recent findings showing that compression efficiency (i.e., normalized loss) of diverse models on certain text correlates strongly with their downstream performance, when the text domain aligns with the downstream benchmarks (Huang et al., 2024). Building on this observation, we hypothesize that data on which model losses are predictive of downstream abilities also contribute effectively to learning, which shares similar intuition with Thrush et al. (2024). To leverage this insight, we introduce predictive data selection (PreSelect), a lightweight and efficient data selection method that requires training and deploying only a fastText-based scorer. Through comprehensive experiments with 1B and 3B parameter models, we demonstrate that models trained on 30B tokens selected with PreSelect surpass the performance of the vanilla baseline trained on 300B tokens, achieving a 10x reduction in compute requirements. Furthermore, PreSelect significantly outperforms other competitive data selection baselines, such as DCLM and FineWeb-Edu on a scale of 3B models trained on 100B tokens. We open-source our trained data selection scorer along with the curated datasets at https://github.com/hkust-nlp/PreSelect.

In this paper, we present a novel approach, termed Double-Filter,to “slim down” the fine-tuning process of vision-language pre-trained (VLP) models via filtering redundancies in feature inputs and architectural components. We enhance the fine-tuning process using two approaches. First, we develop a new patch selection method incorporating image patch filtering through background and foreground separation, followed by a refined patch selection process. Second, we design a genetic algorithm to eliminate redundant fine-grained architecture layers, improving the efficiency and effectiveness of the model. The former makes patch selection semantics more comprehensive, improving inference efficiency while ensuring semantic representation. The latter’s fine-grained layer filter removes architectural redundancy to the extent possible and mitigates the impact on performance. Experimental results demonstrate that the proposed Double-Filter achieves superior efficiency of model fine-tuning and maintains competitive performance compared with the advanced efficient fine-tuning methods on three downstream tasks, VQA, NLVR and Retrieval. In addition, it has been proven to be effective under METER and ViLT VLP models.

While Rotary Position Embedding (RoPE) and its variants are widely adopted for their long-context capabilities, the extension of the 1D RoPE to video, with its complex spatio-temporal structure, remains an open challenge. This work first introduces a comprehensive analysis that identifies four key characteristics essential for the effective adaptation of RoPE to video, which have not been fully considered in prior work. As part of our analysis, we introduce a challenging V-NIAH-D (Visual Needle-In-A-Haystack with Distractors) task, which adds periodic distractors into V-NIAH. The V-NIAH-D task demonstrates that previous RoPE variants, lacking appropriate temporal dimension allocation, are easily misled by distractors. Based on our analysis, we introduce VideoRoPE, with a 3D structure designed to preserve spatio-temporal relationships. VideoRoPE features low-frequency temporal allocation to mitigate periodic oscillations, a diagonal layout to maintain spatial symmetry, and adjustable temporal spacing to decouple temporal and spatial indexing. VideoRoPE consistently surpasses previous RoPE variants, across diverse downstream tasks such as long video retrieval, video understanding, and video hallucination. Our code and model weights will be publicly released.

Increasing model size has unlocked a dazzling array of capabilities in language models. At the same time, even frontier models remain vulnerable to jailbreaks and prompt injections, despite concerted efforts to make them robust. As both attackers and defenders gain access to more compute, and as models become larger, what will be the effect on robustness? We argue that to answer this question requires a *scaling lens*, which we adopt in an extensive study of language model robustness across several classification tasks, model families, and adversarial attacks. We find that in the absence of explicit safety training, larger models are not consistently more robust; however, scale improves sample efficiency in adversarial training, though it worsens compute efficiency. Further, we find that increasing attack compute smoothly improves attack success rate against both undefended and adversarially trained models. Finally, after exploring robustness transfer across attacks and threat models, we combine attack and defense scaling rates to study the offense-defense balance. We find that while attack scaling outpaces adversarial training across all models studied, larger adversarially trained models might give defense the advantage in the long run. These results underscore the utility of the scaling lens, and provide a paradigm for evaluating future attacks and defenses on frontier models. Code for this project is available at https://github.com/AlignmentResearch/scaling-llm-robustness-paper.

We present any4, a learned 4-bit weight quantization solution for large language models (LLMs) providing arbitrary numeric representations without requiring pre-processing of weights or activations. any4 yields higher accuracy compared to other related 4-bit numeric representation types: int4, fp4 and nf4, as evaluated on a range of model sizes, generations and families (Llama 2, Llama 3, Mistral and Mixtral). While any4 does not require preprocessing of weights or activations, it is also competitive with orthogonal techniques that require such preprocessing (e.g., AWQ and GPTQ). We also experiment with any3 and any2 and show competitiveness at lower bits. Additionally, we show that we can calibrate using a single curated diverse sample rather than hundreds of samples from a dataset as done in most quantization approaches. We also open source tinygemm, a latency optimized GPU matrix multiplication library for LLMs, that implements any4 using a GPU-efficient lookup table strategy along with other common quantization methods. We open source our code at https://github.com/facebookresearch/any4.

Training reinforcement learning (RL) agents requires extensive trials and errors, which becomes prohibitively time-consuming in systems with costly reward evaluations. To address this challenge, we propose adaptive reward modeling (AdaReMo) which accelerates RL training by decomposing the complicated reward function into multiple localized fast reward models approximating direct reward evaluation with neural networks. These models dynamically adapt to the agent’s evolving policy by fitting the currently explored subspace with the latest trajectories, ensuring accurate reward estimation throughout the entire training process while significantly reducing computational overhead. We empirically show that AdaReMo not only achieves over 1,000 times speedup but also improves the performance by 14.6% over state-of-the-art approaches across three expensive-to-evaluate systems---molecular generation, epidemic control, and spatial planning. Code and data for the project are provided at https://github.com/tsinghua-fib-lab/AdaReMo.

Exemplar-Free Class-Incremental Learning (EFCIL) aims to sequentially learn from distinct categories without retaining exemplars but easily suffers from catastrophic forgetting of learned knowledge. While existing EFCIL methods leverage knowledge distillation to alleviate forgetting, they still face two critical challenges: semantic shift and decision bias. Specifically, the embeddings of old tasks shift in the embedding space after learning new tasks, and the classifier becomes biased towards new tasks due to training solely with new data, hindering the balance between old and new knowledge. To address these issues, we propose the Dual-Projection Shift Estimation and Classifier Reconstruction (DPCR) approach for EFCIL. DPCR effectively estimates semantic shift through a dual-projection, which combines a learnable transformation with a row-space projection to capture both task-wise and category-wise shifts. Furthermore, to mitigate decision bias, DPCR employs ridge regression to reformulate a classifier reconstruction process. This reconstruction exploits previous in covariance and prototype of each class after calibration with estimated shift, thereby reducing decision bias. Extensive experiments demonstrate that, on various datasets, DPCR effectively balances old and new tasks, outperforming state-of-the-art EFCIL methods. Our codes are available at https://github.com/RHe502/ICML25-DPCR.

Large language models (LLMs) are powerful tools but are often expensive to deploy at scale. LLM query routing mitigates this by dynamically assigning queries to models of varying cost and quality to obtain a desired tradeoff. Prior query routing approaches generate only one response from the selected model and a single response from a small (inexpensive) model was often not good enough to beat a response from a large (expensive) model due to which they end up overusing the large model and missing out on potential cost savings. However, it is well known that for small models, generating multiple responses and selecting the best can enhance quality while remaining cheaper than a single large-model response. We leverage this idea to propose BEST-Route, a novel routing framework that chooses a model and the number of responses to sample from it based on query difficulty and the quality thresholds. Experiments on real-world datasets demonstrate that our method reduces costs by up to 60% with less than 1% performance drop.

Recent RL research has utilized reward shaping--particularly complex shaping rewards such as intrinsic motivation (IM)--to encourage agent exploration in sparse-reward environments. While often effective, ``reward hacking'' can lead to the shaping reward being optimized at the expense of the extrinsic reward, resulting in a suboptimal policy. Potential-Based Reward Shaping (PBRS) techniques such as Generalized Reward Matching (GRM) and Policy-Invariant Explicit Shaping (PIES) have mitigated this. These methods allow for implementing IM without altering optimal policies. In this work we show that they are effectively unsuitable for complex, exploration-heavy environments with long-duration episodes. To remedy this, we introduce Action-Dependent Optimality Preserving Shaping (ADOPS), a method of converting intrinsic rewards to an optimality-preserving form that allows agents to utilize IM more effectively in the extremely sparse environment of Montezuma's Revenge. We also prove ADOPS accommodates reward shaping functions that cannot be written in a potential-based form: while PBRS-based methods require the cumulative discounted intrinsic return be independent of actions, ADOPS allows for intrinsic cumulative returns to be dependent on agents' actions while still preserving the optimal policy set. We show how action-dependence enables ADOPS's to preserve optimality while learning in complex, sparse-reward environments where other methods struggle.

Recently, deep unsupervised hashing has gained considerable attention in image retrieval due to its advantages in cost-free data labeling, computational efficiency, and storage savings. Although existing methods achieve promising performance by leveraging inherent visual structures within the data, they primarily focus on learning discriminative features from unlabeled images through limited internal knowledge, resulting in an intrinsic upper bound on their performance. To break through this intrinsic limitation, we propose a novel method, called Deep Unsupervised Hashing with External Guidance (DUH-EG), which incorporates external textual knowledge as semantic guidance to enhance discrete representation learning. Specifically, our DUH-EG: i) selects representative semantic nouns from an external textual database by minimizing their redundancy, then matches images with them to extract more discriminative external features; and ii) presents a novel bidirectional contrastive learning mechanism to maximize agreement between hash codes in internal and external spaces, thereby capturing discrimination from both external and intrinsic structures in Hamming space. Extensive experiments on four benchmark datasets demonstrate that our DUH-EG remarkably outperforms existing state-of-the-art hashing methods.

Scientific and engineering applications are often heterogeneous, making it beneficial to account for latent clusters or sub-populations when learning low-dimensional subspaces in supervised learning, and vice versa. In this paper, we combine the concept of subspace clustering with model-based sufficient dimension reduction and thus generalize the sufficient dimension reduction framework from homogeneous regression setting to heterogeneous data applications. In particular, we propose the mixture of principal fitted components (mixPFC) model, a novel framework that simultaneously achieves clustering, subspace estimation, and variable selection, providing a unified solution for high-dimensional heterogeneous data analysis. We develop a group Lasso penalized expectation-maximization (EM) algorithm and obtain its non-asymptotic convergence rate. Through extensive simulation studies, mixPFC demonstrates superior performance compared to existing methods across various settings. Applications to real world datasets further highlight its effectiveness and practical advantages.

Since the debut of DPO, it has been shown that aligning a target LLM with human preferences via the KL-constrained RLHF loss is mathematically equivalent to a special kind of reward modeling task. Concretely, the task requires: 1) using the target LLM to parameterize the reward model, and 2) tuning the reward model so that it has a 1:1 linear relationship with the true reward. However, we identify a significant issue: the DPO loss might have multiple minimizers, of which only one satisfies the required linearity condition. The problem arises from a well-known issue of the underlying Bradley-Terry preference model: it does not always have a unique maximum likelihood estimator (MLE). Consequently, the minimizer of the RLHF loss might be unattainable because it is merely one among many minimizers of the DPO loss. As a better alternative, we propose an energy-based preference model (EBM) that always has a unique MLE, inherently satisfying the linearity requirement. To showcase the practical utility of replacing BTM with our EBM in the context of offline alignment, we adapt a simple yet scalable objective function from the recent literature on fitting EBM and name it as Energy Preference Alignment (EPA). Empirically, we demonstrate that EPA consistently delivers better performance on open benchmarks compared to DPO, thereby validating the theoretical superiority of our EBM.

Visual deep reinforcement learning (RL) enables robots to acquire skills from visual input for unstructured tasks. However, current algorithms suffer from low sample efficiency, limiting their practical applicability. In this work, we present MENTOR, a method that improves both the *architecture* and *optimization* of RL agents. Specifically, MENTOR replaces the standard multi-layer perceptron (MLP) with a mixture-of-experts (MoE) backbone and introduces a task-oriented perturbation mechanism. MENTOR outperforms state-of-the-art methods across three simulation benchmarks and achieves an average of 83\% success rate on three challenging real-world robotic manipulation tasks, significantly surpassing the 32% success rate of the strongest existing model-free visual RL algorithm. These results underscore the importance of sample efficiency in advancing visual RL for real-world robotics. Experimental videos are available at https://suninghuang19.github.io/mentor_page/.

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 in 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.

The normal vectors obtained from the support vector machine (SVM) method offer the potential to achieve sufficient dimension reduction in both classification and regression scenarios. Motivated by it, we in this paper introduce a unified framework for nonlinear sufficient dimension reduction based on classification ensemble. Kernel principal SVM, which leverages the reproducing kernel Hilbert space, can almost be regarded as a special case of this framework, and we generalize it by using a neural network function class for more flexible deep nonlinear reduction. We theoretically prove its unbiasedness with respect to the central $\sigma$-field and provide a nonasymptotic upper bound for the estimation error. Simulations and real data analysis demonstrate the considerable competitiveness of the proposed method, especially under heavy data contamination, large sample sizes, and complex inputs.

Optimal Transport (OT) problems are a cornerstone of many applications, but solving them is computationally expensive. To address this problem, we propose UNOT (Universal Neural Optimal Transport), a novel framework capable of accurately predicting (entropic) OT distances and plans between discrete measures of variable resolution for a given cost function. UNOT builds on Fourier Neural Operators, a universal class of neural networks that map between function spaces and that are discretization-invariant, which enables our network to process measures of varying sizes. The network is trained adversarially using a second, generating network and a self-supervised bootstrapping loss. We theoretically justify the use of FNOs, prove that our generator is universal, and that minimizing the bootstrapping loss provably minimizes the ground truth loss. Through extensive experiments, we show that our network not only accurately predicts optimal transport distances and plans across a wide range of datasets, but also captures the geometry of the Wasserstein space correctly. Furthermore, we show that our network can be used as a state-of-the-art initialization for the Sinkhorn algorithm, significantly outperforming existing approaches.

The hierarchical structure inherent in many real-world datasets makes the modeling of such hierarchies a crucial objective in both unsupervised and supervised machine learning. While recent advancements have introduced deep architectures specifically designed for hierarchical clustering, we adopt a critical perspective on this line of research. Our findings reveal that these methods face significant limitations in scalability and performance when applied to realistic datasets.~Given these findings, we present an alternative approach and introduce a lightweight method that builds on pre-trained non-hierarchical clustering models. Remarkably, our approach outperforms specialized deep models for hierarchical clustering, and it is broadly applicable to any pre-trained clustering model that outputs logits, without requiring any fine-tuning. To highlight the generality of our approach, we extend its application to a supervised setting, demonstrating its ability to recover meaningful hierarchies from a pre-trained ImageNet classifier. Our results establish a practical and effective alternative to existing deep hierarchical clustering methods, with significant advantages in efficiency, scalability and performance.

A central goal of machine learning is generalization. While the No Free Lunch Theorem states that we cannot obtain theoretical guarantees for generalization without further assumptions, in practice we observe that simple models which explain the training data generalize best—a principle called Occam's razor. Despite the need for simple models, most current approaches in machine learning only minimize the training error, and at best indirectly promote simplicity through regularization or architecture design. Here, we draw a connection between Occam's razor and in-context learning—an emergent ability of certain sequence models like Transformers to learn at inference time from past observations in a sequence. In particular, we show that the next-token prediction loss used to train in-context learners is directly equivalent to a data compression technique called prequential coding, and that minimizing this loss amounts to jointly minimizing both the training error and the complexity of the model that was implicitly learned from context. Our theory and the empirical experiments we use to support it not only provide a normative account of in-context learning, but also elucidate the shortcomings of current in-context learning methods, suggesting ways in which they can be improved. We make our code available at https://github.com/3rdCore/PrequentialCode.