ICML 2025 Papers

Scaling up inference-time compute has proven to be a valuable strategy in improving the performance of Large Language Models (LLMs) without fine-tuning. An important task that can benefit from additional inference-time compute is self-repair; given an initial flawed response or guess, the LLM corrects its own mistake and produces an improved response or fix. We leverage the in-context learning ability of LLMs to perform self-repair in the coding domain. The key contribution of our paper is an approach that synthesises and selects an ordered set of golden example pairs, or AuPairs, of these initial guesses and subsequent fixes for the corresponding problems. Each such AuPair is provided as a single in-context example at inference time to generate a repaired solution. For an inference-time compute budget of $N$ LLM calls per problem, $N$ AuPairs are used to generate $N$ repaired solutions, out of which the highest-scoring solution is the final answer. The underlying intuition is that if the LLM is given a different example of fixing an incorrect guess each time, it can subsequently generate a diverse set of repaired solutions. Our algorithm selects these AuPairs in a manner that maximises complementarity and usefulness. We demonstrate the results of our algorithm on 5 LLMs across 7 competitive programming datasets for the code repair task. Our algorithm yields a significant boost in performance compared to best-of-$N$ and self-repair, and also exhibits strong generalisation across datasets and models. Moreover, our approach shows stronger scaling with inference-time compute budget compared to baselines.

Existing deep multi-view clustering methods have demonstrated excellent performance, which addressing issues such as missing views and view noise. But almost all existing methods are within a static framework, which assumes that all views have already been collected. However, in practical scenarios, new views are continuously collected over time, which forms the stream of views. Additionally, there exists the data imbalance of quality and distribution between different view streams, i.e., concept drift problem. To this end, we propose a novel Deep Streaming View Clustering (DSVC) method, which mitigates the impact of concept drift on streaming view clustering. Specifically, DSVC consists of a knowledge base and three core modules. Through the knowledge aggregation learning module, DSVC extracts representative features and prototype knowledge from the new view. Subsequently, the distribution consistency learning module aligns the prototype knowledge from the current view with the historical knowledge distribution to mitigate the impact of concept drift. Then, the knowledge guidance learning module leverages the prototype knowledge to guide the data distribution and enhance the clustering structure. Finally, the prototype knowledge from the current view is updated in the knowledge base to guide the learning of subsequent views. Extensive experiments demonstrate that, even in dynamic environments, the clustering performance of DSVC outperforms 12 state-of-the-art DMVC methods under static frameworks.

Long-term time series forecasting (LTSF) has traditionally relied on large parameters to capture extended temporal dependencies, resulting in substantial computational costs and inefficiencies in both memory usage and processing time. However, time series data, unlike high-dimensional images or text, often exhibit temporal pattern similarity and low-rank structures, especially in long-term horizons. By leveraging this structure, models can be guided to focus on more essential, concise temporal data, improving both accuracy and computational efficiency. In this paper, we introduce TimeBase, an ultra-lightweight network to harness the power of minimalism in LTSF. TimeBase 1) extracts core basis temporal components and 2) transforms traditional point-level forecasting into efficient segment-level forecasting, achieving optimal utilization of both data and parameters. Extensive experiments on diverse real-world datasets show that TimeBase achieves remarkable efficiency and secures competitive forecasting performance. Additionally, TimeBase can also serve as a very effective plug-and-play complexity reducer for any patch-based forecasting models. Code is available at \url{https://github.com/hqh0728/TimeBase}.

Interactions between modalities—redundancy, uniqueness, and synergy—collectively determine the composition of multimodal information. Understanding these interactions is crucial for analyzing information dynamics in multimodal systems, yet their accurate sample-level quantification presents significant theoretical and computational challenges. To address this, we introduce the Lightweight Sample-wise Multimodal Interaction (LSMI) estimator, rigorously grounded in pointwise information theory. We first develop a redundancy estimation framework, employing an appropriate pointwise information measure to quantify this most decomposable and measurable interaction. Building upon this, we propose a general interaction estimation method that employs efficient entropy estimation, specifically tailored for sample-wise estimation in continuous distributions. Extensive experiments on synthetic and real-world datasets validate LSMI's precision and efficiency. Crucially, our sample-wise approach reveals fine-grained sample- and category-level dynamics within multimodal data, enabling practical applications such as redundancy-informed sample partitioning, targeted knowledge distillation, and interaction-aware model ensembling. The code is available at https://github.com/GeWu-Lab/LSMI_Estimator.

Text-to-image synthesis has witnessed remarkable advancements in recent years. Many attempts have been made to adopt text-to-image models to support multiple tasks. However, existing approaches typically require resource-intensive re-training or additional parameters to accommodate for the new tasks, which makes the model inefficient for on-device deployment. We propose *Multi-Task Upcycling* (MTU), a simple yet effective recipe that extends the capabilities of a pre-trained text-to-image diffusion model to support a variety of image-to-image generation tasks. MTU replaces Feed-Forward Network (FFN) layers in the diffusion model with smaller FFNs, referred to as *experts*, and combines them with a dynamic routing mechanism. To the best of our knowledge, MTU is the first multi-task diffusion modeling approach that seamlessly blends multi-tasking with on-device compatibility, by mitigating the issue of parameter inflation. We show that the performance of MTU is on par with the single-task fine-tuned diffusion models across several tasks including *image editing, super-resolution*, and *inpainting*, while maintaining similar latency and computational load (GFLOPs) as the single-task fine-tuned models.

Large language models (LLMs) acquire a breadth of information across various domains. However, their computational complexity, cost, and lack of transparency often hinder their direct application for predictive tasks where privacy and interpretability are paramount. In fields such as healthcare, biology, and finance, specialised and interpretable linear models still hold considerable value. In such domains, labelled data may be scarce or expensive to obtain. Well-specified prior distributions over model parameters can reduce the sample complexity of learning through Bayesian inference; however, eliciting expert priors can be time-consuming. We therefore introduce AutoElicit to extract knowledge from LLMs and construct priors for predictive models. We show these priors are informative and can be refined using natural language. We perform a careful study contrasting AutoElicit with in-context learning and demonstrate how to perform model selection between the two methods. We find that AutoElicit yields priors that can substantially reduce error over uninformative priors, using fewer labels, and consistently outperform in-context learning. We show that AutoElicit saves over 6 months of labelling effort when building a new predictive model for urinary tract infections from sensor recordings of people living with dementia.

A tenet of reinforcement learning is that the agent always observes rewards. However, this is not true in many realistic settings, e.g., a human observer may not always be available to provide rewards, sensors may be limited or malfunctioning, or rewards may be inaccessible during deployment. Monitored Markov decision processes (Mon-MDPs) have recently been proposed to model such settings. However, existing Mon-MDP algorithms have several limitations: they do not fully exploit the problem structure, cannot leverage a known monitor, lack worst-case guarantees for "unsolvable" Mon-MDPs without specific initialization, and offer only asymptotic convergence proofs. This paper makes three contributions. First, we introduce a model-based algorithm for Mon-MDPs that addresses these shortcomings. The algorithm employs two instances of model-based interval estimation: one to ensure that observable rewards are reliably captured, and another to learn the minimax-optimal policy. Second, we empirically demonstrate the advantages. We show faster convergence than prior algorithms in more than four dozen benchmarks, and even more dramatic improvements when the monitoring process is known. Third, we present the first finite-sample bound on performance. We show convergence to a minimax-optimal policy even when some rewards are never observable.

In this paper, we present $Morse$, a simple dual-sampling framework for accelerating diffusion models losslessly. The key insight of Morse is to reformulate the iterative generation (from noise to data) process via taking advantage of fast jump sampling and adaptive residual feedback strategies. Specifically, Morse involves two models called $Dash$ and $Dot$ that interact with each other. The Dash model is just the pre-trained diffusion model of any type, but operates in a jump sampling regime, creating sufficient space for sampling efficiency improvement. The Dot model is significantly faster than the Dash model, which is learnt to generate residual feedback conditioned on the observations at the current jump sampling point on the trajectory of the Dash model, lifting the noise estimate to easily match the next-step estimate of the Dash model without jump sampling. By chaining the outputs of the Dash and Dot models run in a time-interleaved fashion, Morse exhibits the merit of flexibly attaining desired image generation performance while improving overall runtime efficiency. With our proposed weight sharing strategy between the Dash and Dot models, Morse is efficient for training and inference. Our method shows a lossless speedup of 1.78$\times$ to 3.31$\times$ on average over a wide range of sampling step budgets relative to 9 baseline diffusion models on 6 image generation tasks. Furthermore, we show that our method can be also generalized to improve the Latent Consistency Model (LCM-SDXL, which is already accelerated with consistency distillation technique) tailored for few-step text-to-image synthesis. The code and models are available at https://github.com/deep-optimization/Morse.

Time series with missing or irregularly sampled data are a persistent challenge in machine learning. Many methods operate on the frequency-domain, relying on the Fast Fourier Transform (FFT) which assumes uniform sampling, therefore requiring prior interpolation that can distort the spectra. To address this limitation, we introduce a differentiable Lomb--Scargle layer that enables a reliable computation of the power spectrum of irregularly sampled data. We integrate this layer into a novel score-based diffusion model (LSCD) for time series imputation conditioned on the entire signal spectrum. Experiments on synthetic and real-world benchmarks demonstrate that our method recovers missing data more accurately than purely time-domain baselines, while simultaneously producing consistent frequency estimates. Crucially, our method can be easily integrated into learning frameworks, enabling broader adoption of spectral guidance in machine learning approaches involving incomplete or irregular data.

Recent advances in language modeling have underscored the role of preference feedback in enhancing model performance. This paper investigates the conditions under which preference feedback improves parameter estimation in classes of continuous parametric distributions. In our framework, the learner observes pairs of samples from an unknown distribution along with their relative preferences depending on the same unknown parameter. We show that preferences-based M-estimators achieve a better asymptotic variance than sample-only M-estimators, further improved by deterministic preferences. Leveraging the hard constraints revealed by deterministic preferences, we propose an estimator achieving an estimation error scaling of $\mathcal{O}(1/n)$---a significant improvement over the $\Theta(1/\sqrt{n})$ rate attainable with samples alone. Next, we establish a lower bound that matches this accelerated rate; up to problem-dependent constants. While the assumptions underpinning our analysis are restrictive, they are satisfied by notable cases such as Gaussian or Laplace distributions for preferences based on the log-probability reward.

Failure attribution in LLM multi-agent systems—identifying the agent and step responsible for task failures—provides crucial clues for systems debugging but remains underexplored and labor-intensive. In this paper, we propose and formulate a new research area: automated failure attribution for LLM multi-agent systems. To support this initiative, we introduce the Who\&When dataset, comprising extensive failure logs from 127 LLM multi-agent systems with fine-grained annotations linking failures to specific agents and decisive error steps. Using the Who\&When, we develop and evaluate three automated failure attribution methods, summarizing their corresponding pros and cons. The best method achieves 53.5\% accuracy in identifying failure-responsible agents but only 14.2\% in pinpointing failure steps, with some methods performing below random. Even SOTA reasoning models, such as OpenAI o1 and DeepSeek R1, fail to achieve practical usability. These results highlight the task's complexity and the need for further research in this area. Code and dataset are available in https://github.com/mingyin1/Agents_Failure_Attribution.

In this paper, we focus on a matrix factorization-based approach for robust recovery of low-rank asymmetric matrices from corrupted measurements. We propose an Overparameterized Preconditioned Subgradient Algorithm (OPSA) and provide, for the first time in the literature, linear convergence rates independent of the rank of the sought asymmetric matrix in the presence of gross corruptions. Our work goes beyond existing results in preconditioned-type approaches addressing their current limitation, i.e., the lack of convergence guarantees in the case of asymmetric matrices of unknown rank. By applying our approach to (robust) matrix sensing, we highlight its merits when the measurement operator satisfies a mixed-norm restricted isometry property. Lastly, we present extensive numerical experiments that validate our theoretical results and demonstrate the effectiveness of our approach for different levels of overparameterization and corruption from outliers.

Retrieving homologous protein sequences is essential for a broad range of protein modeling tasks such as fitness prediction, protein design, structure modeling, and protein-protein interactions. Traditional workflows have relied on a two-step process: first retrieving homologs via Multiple Sequence Alignments (MSA), then training mod- els on one or more of these alignments. However, MSA-based retrieval is computationally expensive, struggles with highly divergent sequences or complex insertions & deletions patterns, and operates independently of the downstream modeling objective. We introduce Protriever, an end-to-end differentiable framework that learns to retrieve relevant homologs while simultaneously training for the target task. When applied to protein fitness prediction, Protriever achieves state-of-the-art performance compared to sequence-based models that rely on MSA-based homolog retrieval, while being two orders of magnitude faster through efficient vector search. Protriever is both architecture and task-agnostic, and can flexibly adapt to different retrieval strategies and protein databases at inference time – offering a scalable alternative to alignment-centric approaches.

Data sets used in recent work on graph similarity scoring and matching tasks suffer from significant limitations. Using Graph Edit Distance (GED) as a showcase, we highlight pervasive issues such as train-test leakage and poor generalization, which have misguided the community's understanding and assessment of the capabilities of a method or model. These limitations arise, in part, because preparing labeled data is computationally expensive for combinatorial graph problems. We establish some key properties of GED that enable scalable data augmentation for training, and adversarial test set generation. Together, our analysis, experiments and insights establish new, sound guidelines for designing and evaluating future neural networks, and suggest open challenges for future research.

Time series forecasting uses historical data to predict future trends, leveraging the relationships between past observations and available features. In this paper, we propose RAFT, a retrieval-augmented time series forecasting method to provide sufficient inductive biases and complement the model's learning capacity. When forecasting the subsequent time frames, we directly retrieve historical data candidates from the training dataset with patterns most similar to the input, and utilize the future values of these candidates alongside the inputs to obtain predictions. This simple approach augments the model's capacity by externally providing information about past patterns via retrieval modules. Our empirical evaluations on ten benchmark datasets show that RAFT consistently outperforms contemporary baselines with an average win ratio of 86%.

Building neural reward models from human preferences is a pivotal component in reinforcement learning from human feedback (RLHF) and large language model alignment research. Given the scarcity and high cost of human annotation, how to select the most informative pairs to annotate is an essential yet challenging open problem. In this work, we highlight the insight that an ideal comparison dataset for reward modeling should balance *exploration of the representation space* and make *informative comparisons* between pairs with moderate reward differences. Technically, challenges arise in quantifying the two objectives and efficiently prioritizing the comparisons to be annotated. To address this, we propose the Fisher information-based selection strategies, adapt theories from the *classical experimental design* literature, and apply them to the final linear layer of the deep neural network-based reward modeling tasks. Empirically, our method demonstrates remarkable performance, high computational efficiency, and stability compared to other selection methods from deep learning and classical statistical literature across multiple open-source LLMs and datasets. Further ablation studies reveal that incorporating cross-prompt comparisons in active reward modeling significantly enhances labeling efficiency, shedding light on the potential for improved annotation strategies in RLHF. Code and embeddings to reproduce all results of this paper are available at https://github.com/YunyiShen/ARM-FI/.

The framework of uncoupled online learning in multiplayer games has made significant progress in recent years. In particular, the development of time-varying games has considerably expanded its modeling capabilities. However, current regret bounds quickly become vacuous when the game undergoes significant variations over time, even when these variations are easy to predict. Intuitively, the ability of players to forecast future payoffs should lead to tighter guarantees, yet existing approaches fail to incorporate this aspect. This work aims to fill this gap by introducing a novel prediction-aware framework for time-varying games, where agents can forecast future payoffs and adapt their strategies accordingly. In this framework, payoffs depend on an underlying state of nature that agents predict in an online manner. To leverage these predictions, we propose the POMWU algorithm, a contextual extension of the optimistic Multiplicative Weight Update algorithm, for which we establish theoretical guarantees on social welfare and convergence to equilibrium. Our results demonstrate that, under bounded prediction errors, the proposed framework achieves performance comparable to the static setting. Finally, we empirically demonstrate the effectiveness of POMWU in a traffic routing experiment.

Sketches, probabilistic structures for estimating item frequencies in infinite data streams with limited space, are widely used across various domains. Recent studies have shifted the focus from handcrafted sketches to neural sketches, leveraging memory-augmented neural networks (MANNs) to enhance the streaming compression capabilities and achieve better space-accuracy trade-offs. However, existing neural sketches struggle to scale across different data domains and space budgets due to inflexible MANN configurations. In this paper, we introduce a scalable MANN architecture that brings to life the Lego sketch, a novel sketch with superior scalability and accuracy. Much like assembling creations with modular Lego bricks, the Lego sketch dynamically coordinates multiple memory bricks to adapt to various space budgets and diverse data domains. Theoretical analysis and empirical studies demonstrate its scalability and superior space-accuracy trade-offs, outperforming existing handcrafted and neural sketches.

Significant achievements in personalization of diffusion models have been witnessed. Conventional tuning-free methods mostly encode multiple reference images by averaging or concatenating their image embeddings as the injection condition, but such an image-independent operation cannot perform interaction among images to capture consistent visual elements within multiple references. Although tuning-based approaches can effectively extract consistent elements within multiple images through the training process, it necessitates test-time finetuning for each distinct image group. This paper introduces EasyRef, a plug-and-play adaption method that empowers diffusion models to condition consistent visual elements (e.g., style and human facial identity, etc.) across multiple reference images under instruction controls. To effectively exploit consistent visual elements within multiple images, we leverage the multi-image comprehension and instruction-following capabilities of the multimodal large language model (MLLM), prompting it to capture consistent visual elements based on the instruction. Besides, injecting the MLLM's representations into the diffusion process through adapters can easily generalize to unseen domains. To mitigate computational costs and enhance fine-grained detail preservation, we introduce an efficient reference aggregation strategy and a progressive training scheme. Finally, we introduce MRBench, a new multi-reference image generation benchmark. Experimental results demonstrate EasyRef surpasses both tuning-free and tuning-based methods, achieving superior aesthetic quality and robust zero-shot generalization across diverse domains.