ICML 2025 Papers

Preference alignment in Large Language Models (LLMs) has significantly improved their ability to adhere to human instructions and intentions. However, existing direct alignment algorithms primarily focus on relative preferences and often overlook the qualitative aspects of responses, despite having access to preference data that includes reward scores from judge models during AI feedback. Striving to maximize the implicit reward gap between the chosen and the slightly inferior rejected responses can cause overfitting and unnecessary unlearning of the high-quality rejected responses. The unawareness of the reward scores also drives the LLM to indiscriminately favor the low-quality chosen responses and fail to generalize to optimal responses that are sparse in data. To overcome these shortcomings, our study introduces reward-conditioned LLM policies that discern and learn from the entire spectrum of response quality within the dataset, helping extrapolate to more optimal regions. We propose an effective yet simple data relabeling method that conditions the preference pairs on quality scores to construct a reward-augmented dataset. The experiments across various benchmarks and diverse models demonstrate that our approach consistently boosts DPO by a considerable margin. Through comprehensive ablation studies, we demonstrate that our method not only maximizes the utility of preference data but also mitigates the issue of unlearning, demonstrating its broad effectiveness beyond mere data expansion. Our code is available at https://github.com/shenao-zhang/reward-augmented-preference.

Visual localization aims to predict the absolute camera pose for a single query image. However, predominant methods focus on single-camera images and scenes with limited appearance variations, limiting their applicability to cross-domain scenes commonly encountered in real-world applications. Furthermore, the long-tail distribution of cross-domain datasets poses additional challenges for visual localization. In this work, we propose a novel cross-domain data generation method to enhance visual localization methods. To achieve this, we first construct a cross-domain 3DGS to accurately model photometric variations and mitigate the interference of dynamic objects in large-scale scenes. We introduce a text-guided image editing model to enhance data diversity for addressing the long-tail distribution problem and design an effective fine-tuning strategy for it. Then, we develop an anchor-based method to generate high-quality datasets for visual localization. Finally, we introduce positional attention to address data ambiguities in cross-camera images. Extensive experiments show that our method achieves state-of-the-art accuracy, outperforming existing cross-domain visual localization methods by an average of 59\% across all domains. Project page: https://yzwang-sjtu.github.io/CDG-Loc.

We establish the asymptotic implicit bias of gradient descent (GD) for generic non-homogeneous deep networks under exponential loss. Specifically, we characterize three key properties of GD iterates starting from a sufficiently small empirical risk, where the threshold is determined by a measure of the network's non-homogeneity. First, we show that a normalized margin induced by the GD iterates increases nearly monotonically. Second, we prove that while the norm of the GD iterates diverges to infinity, the iterates themselves converge in direction. Finally, we establish that this directional limit satisfies the Karush–Kuhn–Tucker (KKT) conditions of a margin maximization problem. Prior works on implicit bias have focused exclusively on homogeneous networks; in contrast, our results apply to a broad class of non-homogeneous networks satisfying a mild near-homogeneity condition. In particular, our results apply to networks with residual connections and non-homogeneous activation functions, thereby resolving an open problem posed byJi & Telgarsky (2020).

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.

Existing analysis of Local (Stochastic) Gradient Descent for heterogeneous objectives requires stepsizes $\eta \leq 1/K$ where $K$ is the communication interval, which ensures monotonic decrease of the objective. In contrast, we analyze Local Gradient Descent for logistic regression with separable, heterogeneous data using any stepsize $\eta > 0$. With $R$ communication rounds and $M$ clients, we show convergence at a rate $\mathcal{O}(1/\eta K R)$ after an initial unstable phase lasting for $\widetilde{\mathcal{O}}(\eta K M)$ rounds. This improves upon the existing $\mathcal{O}(1/R)$ rate for general smooth, convex objectives. Our analysis parallels the single machine analysis of Wu et al. (2024) in which instability is caused by extremely large stepsizes, but in our setting another source of instability is large local updates with heterogeneous objectives.

Despite advances in learning-based methods, finding valid Lyapunov functions for nonlinear dynamical systems remains challenging. Current neural network approaches face two main issues: challenges in scalable verification and limited interpretability. To address these, we propose an end-to-end framework using transformers to construct analytical Lyapunov functions (local), which simplifies formal verification, enhances interpretability, and provides valuable insights for control engineers. Our framework consists of a transformer-based trainer that generates candidate Lyapunov functions and a falsifier that verifies candidate expressions and refines the model via risk-seeking policy gradient. Unlike Alfarano et al. (2024), which utilizes pre-training and seeks global Lyapunov functions for low-dimensional systems, our model is trained from scratch via reinforcement learning (RL) and succeeds in finding local Lyapunov functions for *high-dimensional* and *non-polynomial* systems. Given the symbolic nature of the Lyapunov function candidates, we employ efficient optimization methods for falsification during training and formal verification tools for the final verification. We demonstrate the efficiency of our approach on a range of nonlinear dynamical systems with up to ten dimensions and show that it can discover Lyapunov functions not previously identified in the control literature. Full implementation is available on [Github](https://github.com/JieFeng-cse/Analytical-Lyapunov-Function-Discovery).

Training deep neural networks (DNNs) on memory-limited GPUs is challenging, as storing intermediate activations often exceeds available memory. Re-materialization, a technique that preserves exact computations, addresses this by selectively recomputing activations instead of storing them. However, existing methods either fail to scale, lack generality, or introduce excessive execution overhead. We introduce ${\mbox{HiRemate}}$ a ${\textit hierarchical}$ re-materialization framework that recursively partitions large computation graphs, applies optimized solvers at multiple levels, and merges solutions into a global efficient training schedule. This enables scalability to significantly larger graphs than prior ILP-based methods while keeping runtime overhead low. Designed for single-GPU models and activation re-materialization, HiRemate extends the feasibility of training networks with thousands of graph nodes, surpassing prior methods in both efficiency and scalability. Experiments on various types of networks yield up to 50-70% memory reduction with only 10-15% overhead, closely matching optimal solutions while significantly reducing solver time. Seamlessly integrating with PyTorch Autograd, HiRemate requires almost no code change to use, enabling broad adoption in memory-constrained deep learning.

State-Space Models (SSMs), and particularly Mamba, have recently emerged as a promising alternative to Transformers. Mamba introduces input selectivity to its SSM layer (S6) and incorporates convolution and gating into its block definition. While these modifications do improve Mamba's performance over its SSM predecessors, it remains largely unclear how Mamba leverages the additional functionalities provided by input selectivity, and how these interact with the other operations in the Mamba architecture. In this work, we demystify the role of input selectivity in Mamba, investigating its impact on function approximation power, long-term memorization, and associative recall capabilities. In particular: (i) we prove that the S6 layer of Mamba can represent projections onto *Haar wavelets*, providing an edge over its Diagonal SSM (S4D) predecessor in approximating discontinuous functions commonly arising in practice; (ii) we show how the S6 layer can dynamically counteract memory decay; (iii) we provide analytical solutions to the MQAR associative recall task using the Mamba architecture with different mixers --- Mamba, Mamba-2, and S4D. We demonstrate the tightness of our theoretical constructions with empirical results on concrete tasks. Our findings offer a mechanistic understanding of Mamba and reveal opportunities for improvement.

Fine-grained hashing has become a powerful solution for rapid and efficient image retrieval, particularly in scenarios requiring high discrimination between visually similar categories. To enable each hash bit to correspond to specific visual attributes, we propose a novel method that harnesses learnable queries for attribute-aware hash code learning. This method deploys a tailored set of queries to capture and represent nuanced attribute-level information within the hashing process, thereby enhancing both the interpretability and relevance of each hash bit. Building on this query-based optimization framework, we incorporate an auxiliary branch to help alleviate the challenges of complex landscape optimization often encountered with low-bit hash codes. This auxiliary branch models high-order attribute interactions, reinforcing the robustness and specificity of the generated hash codes. Experimental results on benchmark datasets demonstrate that our method generates attribute-aware hash codes and consistently outperforms state-of-the-art techniques in retrieval accuracy and robustness, especially for low-bit hash codes, underscoring its potential in fine-grained image hashing tasks.

Multi-sample aggregation strategies, such as majority voting and best-of-N sampling, are widely used in contemporary large language models (LLMs) to enhance predictive accuracy across various tasks. A key challenge in this process is temperature selection, which significantly impacts model performance. Existing approaches either rely on a fixed default temperature or require labeled validation data for tuning, which are often scarce and difficult to obtain. This paper addresses the challenge of automatically identifying the (near)-optimal temperature for different LLMs using multi-sample aggregation strategies, without relying on task-specific validation data. We provide a comprehensive analysis of temperature’s role in performance optimization, considering variations in model architectures, datasets, task types, model sizes, and predictive accuracy. Furthermore, we propose a novel entropy-based metric for automated temperature optimization, which consistently outperforms fixed-temperature baselines. Additionally, we incorporate a stochastic process model to enhance interpretability, offering deeper insights into the relationship between temperature and model performance.

Class imbalance severely impacts machine learning performance on minority classes in real-world applications. While various solutions exist, active learning offers a fundamental fix by strategically collecting balanced, informative labeled examples from abundant unlabeled data. We introduce DIRECT, an algorithm that identifies class separation boundaries and selects the most uncertain nearby examples for annotation. By reducing the problem to one-dimensional active learning, DIRECT leverages established theory to handle batch labeling and label noise -- another common challenge in data annotation that particularly affects active learning methods. Our work presents the first comprehensive study of active learning under both class imbalance and label noise. Extensive experiments on imbalanced datasets show DIRECT reduces annotation costs by over 60\% compared to state-of-the-art active learning methods and over 80\% versus random sampling, while maintaining robustness to label noise.

Post-training compression reduces the computational and memory costs of large language models (LLMs), enabling resource-efficient deployment. However, existing compression benchmarks focus narrowly on language modeling (e.g., perplexity) and natural language understanding tasks (e.g., GLUE accuracy), ignoring the agentic capabilities—workflow, tool use/function call, long-context understanding and real-world application. We introduce the Agent Compression Benchmark (ACBench), the first comprehensive benchmark for evaluating how compression impacts LLMs' agentic abilities. ACBench spans (1) 12 tasks across 4 capabilities (e.g., WorfBench for workflow generation, Needle-in-Haystack for long-context retrieval), (2) 4-bit quantization (GPTQ, AWQ) and 50% pruning (Wanda, SparseGPT), and (3) 15 models, including small (Gemma-2B), standard (Qwen2.5-7B), and distilled reasoning LLMs (DeepSeek-R1-Distill). Our experiments reveal compression tradeoffs: 4-bit quantization preserves workflow generation and tool use (1%--3% drop) but degrades real-world application accuracy by 10%--15%. We introduce ERank, Top-k Ranking Correlation and Energy to systematize analysis. ACBench provides actionable insights for optimizing LLM compression in agentic scenarios, bridging the gap between algorithmic efficiency and real-world applicability.

Quality statistical inference requires a sufficient amount of data, which can be missing or hard to obtain. To this end, prediction-powered inference has risen as a promising methodology, but existing approaches are largely limited to Z-estimation problems such as inference of means and quantiles. In this paper, we apply ideas of prediction-powered inference to e-values. By doing so, we inherit all the usual benefits of e-values -- such as anytime-validity, post-hoc validity and versatile sequential inference -- as well as greatly expand the set of inferences achievable in a prediction-powered manner. In particular, we show that every inference procedure that can be framed in terms of e-values has a prediction-powered counterpart, given by our method. We showcase the effectiveness of our framework across a wide range of inference tasks, from simple hypothesis testing and confidence intervals to more involved procedures for change-point detection and causal discovery, which were out of reach of previous techniques. Our approach is modular and easily integrable into existing algorithms, making it a compelling choice for practical applications.

Composition—the ability to generate myriad variations from finite means—is believed to underlie powerful generalization. However, compositional generalization remains a key challenge for deep learning. A widely held assumption is that learning disentangled (factorized) representations naturally supports this kind of extrapolation. Yet, empirical results are mixed, with many generative models failing to recognize and compose factors to generate out-of-distribution (OOD) samples. In this work, we investigate a controlled 2D Gaussian "bump" generation task with fully disentangled $(x,y)$ inputs, demonstrating that standard generative architectures still fail in OOD regions when training with partial data, by re-entangling latent representations in subsequent layers. By examining the model's learned kernels and manifold geometry, we show that this failure reflects a "memorization" strategy for generation via data superposition rather than via composition of the true factorized features. We show that when models are forced—through architectural modifications with regularization or curated training data—to render the disentangled latents into the full-dimensional representational (pixel) space, they can be highly data-efficient and effective at composing in OOD regions. These findings underscore that disentangled latents in an abstract representation are insufficient and show that if models can represent disentangled factors directly in the output representational space, it can achieve robust compositional generalization.

We study partially observable assistance games (POAGs), a model of the human-AI value alignment problem which allows the human and the AI assistant to have partial observations. Motivated by concerns of AI deception, we study a qualitatively new phenomenon made possible by partial observability: would an AI assistant ever have an incentive to interfere with the human's observations? First, we prove that sometimes an optimal assistant must take observation-interfering _actions_, even when the human is playing optimally, and even when there are otherwise-equivalent actions available that do not interfere with observations. Though this result seems to contradict the classic theorem from single-agent decision making that the value of perfect information is nonnegative, we resolve this seeming contradiction by developing a notion of interference defined on entire _policies_. This can be viewed as an extension of the classic result that the value of perfect information is nonnegative into the cooperative multiagent setting. Second, we prove that if the human is simply making decisions based on their immediate outcomes, the assistant might need to interfere with observations as a way to query the human's preferences. We show that this incentive for interference goes away if the human is playing optimally, or if we introduce a communication channel for the human to communicate their preferences to the assistant. Third, we show that if the human acts according to the Boltzmann model of irrationality, this can create an incentive for the assistant to interfere with observations. Finally, we use an experimental model to analyze tradeoffs faced by the AI assistant in practice when considering whether or not to take observation-interfering actions.

Diffusion models (DMs) have significantly advanced the development of real-world image super-resolution (Real-ISR), but the computational cost of multi-step diffusion models limits their application. One-step diffusion models generate high-quality images in a one sampling step, greatly reducing computational overhead and inference latency. However, most existing one-step diffusion methods are constrained by the performance of the teacher model, where poor teacher performance results in image artifacts. To address this limitation, we propose FluxSR, a novel one-step diffusion Real-ISR technique based on flow matching models. We use the state-of-the-art diffusion model FLUX.1-dev as both the teacher model and the base model. First, we introduce Flow Trajectory Distillation (FTD) to distill a multi-step flow matching model into a one-step Real-ISR. Second, to improve image realism and address high-frequency artifact issues in generated images, we propose TV-LPIPS as a perceptual loss and introduce Attention Diversification Loss (ADL) as a regularization term to reduce token similarity in transformer, thereby eliminating high-frequency artifacts. Comprehensive experiments demonstrate that our method outperforms existing one-step diffusion-based Real-ISR methods. The code and model will be released at \url{https://github.com/JianzeLi-114/FluxSR}.

With the rise in global greenhouse gas emissions, accurate large-scale tree canopy height maps are essential for understanding forest structure, estimating above-ground biomass, and monitoring ecological disruptions. To this end, we present a novel approach to generate large-scale, high-resolution canopy height maps over time. Our model accurately predicts canopy height over multiple years given Sentinel 2 time series satellite data. Using GEDI LiDAR data as the ground truth for training the model, we present the first 10 m resolution temporal canopy height map of the European continent for the period 2019–2022. As part of this product, we also offer a detailed canopy height map for 2020, providing more precise estimates than previous studies. Our pipeline and the resulting temporal height map are publicly available, enabling comprehensive large-scale monitoring of forests and, hence, facilitating future research and ecological analyses. For an interactive viewer, see https://europetreemap.projects.earthengine.app/view/europeheight.

We introduce Referring 3D Gaussian Splatting Segmentation (R3DGS), a new task that aims to segment target objects in a 3D Gaussian scene based on natural language descriptions, which often contain spatial relationships or object attributes. This task requires the model to identify newly described objects that may be occluded or not directly visible in a novel view, posing a significant challenge for 3D multi-modal understanding. Developing this capability is crucial for advancing embodied AI. To support research in this area, we construct the first R3DGS dataset, Ref-LERF. Our analysis reveals that 3D multi-modal understanding and spatial relationship modeling are key challenges for R3DGS. To address these challenges, we propose ReferSplat, a framework that explicitly models 3D Gaussian points with natural language expressions in a spatially aware paradigm. ReferSplat achieves state-of-the-art performance on both the newly proposed R3DGS task and 3D open-vocabulary segmentation benchmarks. Dataset and code are available at https://github.com/heshuting555/ReferSplat.

Vision Language Models (VLMs) are impressive at visual question answering and image captioning. But they underperform on multi-step visual reasoning---even compared to LLMs on the same tasks presented in text form---giving rise to perceptions of *modality imbalance* or *brittleness*. Towards a systematic study of such issues, we introduce a synthetic framework for assessing the ability of VLMs to perform algorithmic visual reasoning, comprising three tasks: Table Readout, Grid Navigation, and Visual Analogy. Each has two levels of difficulty, SIMPLE and HARD, and even the SIMPLE versions are difficult for frontier VLMs. We propose strategies for training on the SIMPLE version of tasks that improve performance on the corresponding HARD task, i.e., simple-to-hard (S2H) generalization. This controlled setup, where each task also has an equivalent text-only version, allows a quantification of the modality imbalance and how it is impacted by training strategy. We show that 1) explicit image-to-text conversion is important in promoting S2H generalization on images, by transferring reasoning from text; 2) conversion can be internalized at test time. We also report results of mechanistic study of this phenomenon. We identify measures of gradient alignment that can identify training strategies that promote better S2H generalization. Ablations highlight the importance of chain-of-thought.