ICLR 2026 论文列表

Recently, diffusion models have achieved a great performance with a small dataset of size $n$ and a fast optimization process. Despite the impressive performance, the estimation error suffers from the curse of dimensionality $n^{-1/D}$, where $D$ is the data dimension. Since images are usually a union of low-dimensional manifolds, current works model the data as a union of linear subspaces with Gaussian latent and achieve a $1/\sqrt{n}$ bound. Though this modeling reflects the multi-manifold property of data, the Gaussian latent can not capture the multi-modal property of the latent manifold. To bridge this gap, we propose the mixture subspace of low-rank mixture of Gaussian (MoLR-MoG) modeling, which models the target data as a union of $K$ linear subspaces, and each subspace admits a mixture of Gaussian latent ($n_k$ modals with dimension $d_k$). With this modeling, the corresponding score function naturally has a mixture of expert (MoE) structure, captures the multi-modal information, and contains nonlinear properties since each expert is a nonlinear latent MoG score. We first conduct real-world experiments to show that the generation results of MoE-latent MoG NN are much better than the results of MoE-latent Gaussian score. Furthermore, MoE-latent MoG NN achieves a comparable performance with MoE-latent Unet with $10 \times$ parameters. These results indicate that the MoLR-MoG modeling is reasonable and suitable for real-world data. After that, based on such MoE-latent MoG score, we provide a $R^4\sqrt{\Sigma_{k=1}^Kn_k}\sqrt{\Sigma_{k=1}^Kn_kd_k}/\sqrt{n}$ estimation error, which escapes the curse of dimensionality by using data structure. Finally, we study the optimization process and prove the convergence guarantee under the MoLR-MoG modeling. Combined with these results, under a setting close to real-world data, this work explains why diffusion models only require a small training sample and enjoy a fast optimization process to achieve a great performance.

Recent advances in inference-time alignment of diffusion models have shown reduced susceptibility to reward over-optimization. However, when aligning with multiple black-box reward functions, the number of required queries grows exponentially with the number of reward functions, making the alignment process highly inefficient. To address the challenge, we propose the first inference-time soup strategy, named Sample Reward Soups (SRSoup), for Pareto-optimal sampling across the entire space of preferences. Specifically, at each denoising step, we independently steer multiple denoising distributions using reward-guided search gradients (one for each reward function) and then linearly interpolate their search gradients. This design is effective because sample rewards can be shared when two denoising distributions are close, particularly during the early stages of the denoising process. As a result, SRSoup significantly reduces the number of queries required in the early stages without sacrificing performance. Extensive experiments demonstrate the effectiveness of SRSoup in aligning T2I models with diverse reward functions, establishing a practical and scalable solution.

Large Language Models (LLMs) have demonstrated remarkable capabilities, yet their deployment is frequently undermined by undesirable behaviors such as generating harmful content, factual inaccuracies, and societal biases. Diagnosing the root causes of these failures poses a critical challenge for AI safety. Existing attribution methods, particularly those based on parameter gradients, often fall short due to prohibitive noisy signals and computational complexity. In this work, we introduce a novel and efficient framework that diagnoses a range of undesirable LLM behaviors by analyzing representation and its gradients, which operates directly in the model's activation space to provide a semantically meaningful signal linking outputs to their training data. We systematically evaluate our method for tasks that include tracking harmful content, detecting backdoor poisoning, and identifying knowledge contamination. The results demonstrate that our approach not only excels at sample-level attribution but also enables fine-grained token-level analysis, precisely identifying the specific samples and phrases that causally influence model behavior. This work provides a powerful diagnostic tool to understand, audit, and ultimately mitigate the risks associated with LLMs.

A significant portion of disease-relevant proteins remain undruggable due to shallow, flexible, or otherwise ill-defined binding pockets that hinder conventional molecule screening. Fragment-based drug discovery (FBDD) offers a promising alternative, as small, low-complexity fragments can flexibly engage shallow, transient, or cryptic binding pockets that are often inaccessible to conventional drug-like molecules. However, fragment screening remains difficult due to weak binding signals, limited experimental throughput, and a lack of computational tools tailored for this setting. In this work, we introduce FragBench, the first benchmark for fragment-level virtual screening on undruggable targets. We construct a high-quality dataset through multi-agent LLM–human collaboration and interaction-based fragment labeling. To address the core modeling challenge, we propose a novel tri-modal contrastive learning framework FragCLIP that jointly encodes fragments, full molecules, and protein pockets. Our method significantly outperforms baselines like docking software and other ML based methods. Moreover, we demonstrate that retrieved fragments can be effectively expanded or linked into larger compounds with improved predicted binding affinity, supporting their utility as viable starting points for drug design.

Search-augmented language models combine web search with Large Language Models (LLMs) to improve response groundedness and freshness. However, analyzing these systems remains challenging: existing datasets are limited in scale and narrow in scope, often constrained to static, single-turn, fact-checking questions. In this work, we introduce \textbf{Search Arena}, a crowd-sourced, large-scale, human-preference dataset of over 24,000 paired multi-turn user interactions with search-augmented LLMs. The dataset spans diverse intents and languages, and contains full system traces with around 12,000 human preference votes. Our analysis reveals that user preferences are influenced by the number of citations and types of cited sources, even when the cited content does not directly support the associated claims, uncovering a gap between perceived and actual credibility. To assess cross-setting performance, we conduct cross-arena analyses by testing search-augmented LLMs in a general purpose chat environment and conventional LLMs in search-heavy settings. We find that web search does not degrade and may even improve performance in non-search settings; however, the quality in search settings is significantly affected if solely relying on the model's parametric knowledge. We open-sourced the dataset to support future research.

In multi-view 3D human pose estimation, models typically rely on images captured simultaneously from different camera views to predict a pose at a specific moment. While providing accurate spatial information, this traditional approach often overlooks the rich temporal dependencies between adjacent frames. We propose a novel 3D human pose estimation input method: the sparse interleaved input to address this. This method leverages images captured from different camera views at various time points (e.g., View 1 at time $t$ and View 2 at time $t+\delta$), allowing our model to capture rich spatio-temporal information and effectively boost performance. More importantly, this approach offers two key advantages: First, it can theoretically increase the output pose frame rate by N times with N cameras, thereby breaking through single-view frame rate limitations and enhancing the temporal resolution of the production. Second, using a sparse subset of available frames, our method can reduce data redundancy and simultaneously achieve better performance. We introduce the DenseWarper model, which leverages epipolar geometry for efficient spatio-temporal heatmap exchange. We conducted extensive experiments on the Human3.6M and MPI-INF-3DHP datasets. Results demonstrate that our method, utilizing only sparse interleaved images as input, outperforms traditional dense multi-view input approaches and achieves state-of-the-art performance.

LiveCodeBench (LCB) has recently become a widely adopted benchmark for evaluating large language models (LLMs) on code-generation tasks. By curating competitive programming problems, constantly adding fresh problems to the set, and filtering them by release dates, LCB provides contamination-aware evaluation and offers a holistic view of coding capability. However, LCB remains restricted to Python, leaving open the question of whether LLMs can generalize across the diverse programming languages required in real-world software engineering. We introduce Multi-LCB, a benchmark for evaluating LLMs across twelve programming languages, including Python. Multi-LCB transforms Python tasks from the LCB dataset into equivalent tasks in other languages while preserving LCB’s contamination controls and evaluation protocol. Because it is fully compatible with the original LCB format, Multi-LCB will automatically track future LCB updates, enabling systematic assessment of cross-language code generation competence and requiring models to sustain performance well beyond Python. We evaluated 20 LLMs for instruction and reasoning on Multi-LCB, uncovering evidence of Python overfitting, language-specific contamination, and substantial disparities in multilingual performance. Our results establish Multi-LCB as a rigorous new benchmark for multi-programming-language code evaluation, directly addressing LCB’s primary limitation and exposing critical gaps in current LLM capabilities. All prompts, source code and experimental configurations are publicly available at https://anonymous.4open.science/r/Multi-LiveCodeBench-C627/

Creating an immersive and interactive theatrical experience is a long-term goal in the field of interactive narrative. The emergence of large language model (LLM) is providing a new path to achieve this goal. However, existing LLM-based drama generation methods often result in agents that lack initiative and cannot interact with the physical scene. Furthermore, these methods typically require detailed user input to drive the drama. These limitations reduce the interactivity and immersion of online real-time performance. To address the above challenges, we propose HAMLET, a multi-agent framework focused on drama creation and online performance. Given a simple topic, the framework generates a narrative blueprint, guiding the subsequent improvisational performance. During the online performance, each actor is given an autonomous mind. This means that actors can make independent decisions based on their own background, goals, and emotional state. In addition to conversations with other actors, their decisions can also change the state of scene props through actions such as opening a letter or picking up a weapon. The change is then broadcast to other related actors, updating what they know and care about, which in turn influences their next action. To evaluate the quality of drama performance generated by HAMLET, we designed an evaluation method to assess three primary aspects, including character performance, narrative quality, and interaction experience. The experimental evaluation shows that HAMLET can create expressive and coherent theatrical experiences.

Trajectory data records the spatio-temporal movements of people and vehicles. However, raw trajectories are often noisy, incomplete, or inconsistent due to sensor errors and transmission failures. To ensure reliable downstream analytics, Trajectory Data Preparation (TDP) has emerged as a critical preprocessing stage, encompassing various tasks such as imputation, map matching, anomaly detection, trajectory recovery, compression, etc. However, existing TDP methods face two major limitations: (i) they assume centralized access to data, which is unrealistic under strict privacy regulations and data silo situations, and (ii) they train task-specific models that lack generalization across diverse or unseen TDP tasks. To this end, we propose FedTDP for Federated Trajectory Data Preparation (F-TDP), where trajectories are vertically partitioned across regions and cannot be directly shared. FedTDP introduces three innovations: (i) lightweight Trajectory Privacy AutoEncoder (TPA) with secret-sharing aggregation, providing formal privacy guarantees; (ii) Trajectory Knowledge Enhancer (TKE) that adapts LLMs to spatio-temporal patterns via trajectory-aware prompts, offsite-tuning, sparse-tuning, and bidirectional knowledge distillation; and (iii) Federated Parallel Optimization (FPO), which reduces communication overhead and accelerates federated training. We conduct experiments on 6 real-world datasets and 10 representative TDP tasks, showing that FedTDP surpasses 13 state-of-the-art baselines in accuracy, efficiency, and scalability, while also generalizing effectively across diverse TDP tasks.

Achieving political consensus is crucial yet challenging for the effective functioning of social governance. However, although frontier AI systems represented by large language models (LLMs) have developed rapidly in recent years, their capabilities in this scope are still understudied. In this paper, we introduce PoliCon, a novel benchmark constructed from 2,225 high-quality deliberation records of the European Parliament over 13 years, ranging from 2009 to 2022, to evaluate the ability of LLMs to draft consensus resolutions based on divergent party positions under varying collective decision-making contexts and political requirements. Specifically, PoliCon incorporates four factors to build each task environment for finding different political consensus: specific political issues, political goals, participating parties, and power structures based on seat distribution. We also developed an evaluation framework based on social choice theory for PoliCon, which simulates the real voting outcomes of different political parties to assess whether LLM-generated resolutions meet the requirements of the predetermined political consensus. Our experimental results demonstrate that even state-of-the-art models remain undersatisfied with complex tasks like passing resolutions by a two-thirds majority and addressing security issues, while uncovering their inherent partisan biases and revealing some behaviors LLMs show to achieve the consensus, such as prioritizing the stance of the dominant party instead of uniting smaller parties, which highlights PoliCon's promise as an effective platform for studying LLMs' ability to promote political consensus. The code and dataset are released at [PoliCon Website](https://zowiezhang.github.io/projects/PoliCon).

Object detection in low-light environments is inherently challenging due to limited contrast and heavy noise, both of which significantly degrade feature representations. In this paper, we propose a novel self-guided low-light object detection framework that effectively addresses these issues without introducing additional parameters or increasing inference time. Our method incorporates a detachable auxiliary pipeline during training, consisting of an image enhancement module and a denoising module, followed by a Fourier-domain fusion block. This pipeline improves the feature representation of the detector's backbone, enhancing its robustness under low-light conditions. Importantly, at inference time, our method incurs no additional computational cost compared to the baseline detector while achieving substantial performance improvements. Extensive experiments on widely used low-light object detection benchmarks, such as DARK FACE and ExDark, demonstrate that our method achieves state-of-the-art performance. Notably, experiments on the nuImages dataset show that our approach can outperform domain adaptation methods—especially when a large domain gap between source and target domains is inevitable in the real-world applications—highlighting its practical effectiveness. Our code will be made publicly available.

A major bottleneck in scientific discovery consists of narrowing an exponentially large set of objects, such as proteins or molecules, to a small set of promising candidates with desirable properties. While this process can rely on expert knowledge, recent methods leverage reinforcement learning (RL) guided by a proxy reward function to enable this filtering. By employing various forms of entropy regularization, these methods aim to learn samplers that generate diverse candidates that are highly rated by the proxy function. In this work, we make two main contributions. First, we show that these methods are liable to generate overly diverse, suboptimal candidates in large search spaces. To address this issue, we introduce a novel unified operator that combines several regularized RL operators into a general framework that better targets peakier sampling distributions. Secondly, we offer a novel, robust RL perspective of this filtering process. The regularization can be interpreted as robustness to a compositional form of uncertainty in the proxy function (i.e., the true evaluation of a candidate differs from the proxy's evaluation). Our analysis leads us to a novel, easy-to-use algorithm we name trajectory general mellowmax (TGM): we show it identifies higher quality, diverse candidates than baselines in both synthetic and real-world tasks.

Reliable causal inference is essential for making decisions in high-stakes areas like medicine, economics, and public policy. However, it remains unclear whether large language models (LLMs) can handle rigorous and trustworthy \textit{statistical causal inference}. Current benchmarks usually involve simplified tasks. For example, these tasks might only ask LLMs to identify semantic causal relationships or draw conclusions directly from raw data. As a result, models may overlook important statistical pitfalls, such as Simpson’s paradox or selection bias. This oversight limits the applicability of LLMs in the real world. To address these limitations, we propose \textbf{CausalPitfalls}, a comprehensive benchmark designed to rigorously evaluate the capability of LLMs in overcoming common causal inference pitfalls. Our benchmark features structured challenges across multiple difficulty levels, each paired with grading rubrics. This approach allows us to quantitatively measure both causal reasoning capabilities and the reliability of LLMs' responses. We evaluate models using two protocols: (1) direct prompting, which assesses intrinsic causal reasoning, and (2) code-assisted prompting, where models generate executable code for explicit statistical analysis. Additionally, we validate the effectiveness of this judge by comparing its scoring with assessments from human experts. Our results reveal significant limitations in current LLMs when performing statistical causal inference. The CausalPitfalls benchmark provides essential guidance and quantitative metrics to advance the development of trustworthy causal reasoning systems.

Bioacoustics, the study of sounds produced by living organisms, plays a vital role in conservation, biodiversity monitoring, and behavioral studies. Many tasks in this field, such as species, individual, and behavior classification and detection, are well-suited to machine learning. However, they often suffer from limited annotated data, highlighting the need for a general-purpose bioacoustic encoder capable of extracting useful representations for diverse downstream tasks. Such encoders have been proposed before, but are often limited in scope due to a focus on a narrow range of species (typically birds), and a reliance on a single model architecture or training paradigm. Moreover, they are usually evaluated on a small set of tasks and datasets. In this work, we present a large-scale empirical study that covers aspects of bioacoustics that are relevant to research but have previously been scarcely considered: training data diversity and scale, model architectures and training recipes, and the breadth of evaluation tasks and datasets. We obtain encoders that are state-of-the-art on the existing and newly proposed benchmarks. We also identify *what matters* for training these encoders, such that this work can be extended when more data are available or better architectures are proposed. Specifically, across 26 datasets with tasks including species classification, detection, individual ID, and vocal repertoire discovery, we find that self-supervised pre-training followed by supervised post-training on a mixed bioacoustics + general-audio corpus yields the strongest in- and out-of-distribution performance. We show the importance of data diversity in both stages. To support ongoing research and applications, we release the model checkpoints as well as the Animal Vocalization Encoder library [AVEX](https://projects.earthspecies.org/avex/) (an API for model loading and inference, and a Python-based system for training and evaluating bioacoustics representation learning models)

Audio Language Models (ALM) have emerged as the dominant paradigm for speech and music generation by representing audio as sequences of discrete tokens. Yet, unlike text tokens, which are invertible, audio tokens are extracted from lossy codecs with a limited bitrate. As a consequence, increasing audio quality requires generating more tokens, which imposes a trade-off between fidelity and computational cost. We address this issue by studying Continuous Audio Language Models (CALM). These models instantiate a large Transformer backbone that produces a contextual embedding at every timestep. This sequential information then conditions an MLP that generates the next continuous frame of an audio VAE through consistency modeling. By avoiding lossy compression, CALM achieves higher quality at lower computational cost than their discrete counterpart. Experiments on speech and music demonstrate improved efficiency and fidelity over state-of-the-art discrete audio language models, facilitating lightweight, high-quality audio generation. Samples are available at iclr-continuous-audio-language-models.github.io. Finally, we release Pocket TTS, an open-source 100M-parameter text-to-speech model that can run faster than real time on a laptop CPU: github.com/kyutai-labs/pocket-tts.

Test-time algorithms that combine the *generative* power of language models with *process verifiers* that assess the quality of partial generations offer a promising lever for eliciting new reasoning capabilities, but the algorithmic design space and computational scaling properties of such approaches are still opaque, and their benefits are far from apparent when one accounts for the cost of learning a high-quality verifier. Our starting point is the observation that seemingly benign errors in a learned verifier can lead to catastrophic failures for standard decoding techniques due to *error amplification* during the course of generation. We then ask: can this be improved with more sophisticated decoding strategies? We introduce a new process-guided test-time sampling algorithm, VGB, which uses theoretically grounded *backtracking* to achieve *provably* better robustness to verifier errors. VGB interprets autoregressive generation as a random walk on a tree of partial completions, with transition probabilities guided by the process verifier and base model; crucially, backtracking occurs probabilistically. This process generalizes the seminal *Sinclair-Jerrum random walk* (Sinclair & Jerrum, 1989) from the literature on approximate counting and sampling in theoretical computer science, and a conceptual contribution of our work is to highlight parallels with this literature. Empirically, we demonstrate on both synthetic and real language modeling tasks that VGB outperforms baselines on a variety of metrics.

Identifying the extent to which every temporal segment influences a model’s predictions is essential for explaining model decisions and increasing transparency. While post-hoc explainable methods based on gradients and feature-based attributions have been popular, they suffer from reference state sensitivity and struggle to generalize across time-series datasets, as they treat time points independently and ignore sequential dependencies. Another perspective on explainable time-series classification is through interpretable components of the model, for instance, leveraging self-attention mechanisms to estimate temporal attribution; however, recent findings indicate that these attention weights often fail to provide faithful measures of temporal importance. In this work, we advance this perspective and present a novel explainability-driven deep learning framework, TimeSliver, which jointly utilizes raw time-series data and its symbolic abstraction to construct a representation that maintains the original temporal structure. Each element in this representation linearly encodes the contribution of each temporal segment to the final prediction, allowing us to assign a meaningful importance score to every time point. For time-series classification, TimeSliver outperforms other temporal attribution methods by 11\% on 7 distinct synthetic and real-world multivariate time-series datasets. TimeSliver also achieves predictive performance within 2\% of state-of-the-art baselines across 26 UEA benchmark datasets, positioning it as a strong and explainable framework for general time-series classification.

Large Language Model (LLM) agents, while proficient in the digital realm, face a significant gap in physical-world deployment due to the challenge of forming and maintaining a robust spatial mental model. We identify three core cognitive challenges hindering this transition: spatial reasoning, long-horizon state tracking via mental simulation, and active exploration under partial observation. To isolate and evaluate these faculties, we introduce \textbf{CubeBench}, a novel generative benchmark centered on the Rubik's Cube. CubeBench uses a three-tiered diagnostic framework that progressively assesses agent capabilities, from foundational state tracking with full symbolic information to active exploration with only partial visual data. Our experiments on leading LLMs reveal critical limitations, including a uniform 0.00\% pass rate on all long-horizon tasks, exposing a fundamental failure in long-term planning. We also propose a diagnostic framework to isolate these cognitive bottlenecks by providing external solver tools. By analyzing the failure modes, we provide key insights to guide the development of more physically-grounded intelligent agents.

Interactive point-based image editing serves as a controllable editor, enabling precise and flexible manipulation of image content. However, previous methods predominantly center on 2D pixel plane, neglecting the underlying 3D geometric structure. As a result, they often produce imprecise and inconsistent edits, particularly in geometry-intensive scenarios such as rotations and perspective transformations. To address these limitations, we propose a novel geometry-guided drag-based image editing method—GeoDrag, which addresses three key challenges: 1) incorporating 3D geometric cues into pixel-level editing, 2) mitigating discontinuities caused by geometry-only guidance, and 3) resolving conflicts arising from multi-point dragging. Built upon a unified displacement field that jointly encodes 3D geometry and 2D spatial priors, GeoDrag enables coherent, high-fidelity, and structure-consistent editing in a single forward pass. In addition, a conflict-free partitioning strategy is introduced to isolate editing regions, effectively preventing interference and ensuring consistency. Extensive experiments across various editing scenarios validate the effectiveness of our method, showing superior precision, structural consistency, and reliable multi-point editability. Our code and models will be released publicly. Project page: https://geodrag-site.github.io.