ICLR 2026 论文列表

Diffusion models have emerged as powerful priors for image editing tasks such as inpainting and local modification, where the objective is to generate realistic content that remains consistent with observed regions. In particular, zero-shot approaches that leverage a pretrained diffusion model, without any retraining, have been shown to achieve highly effective reconstructions. However, state-of-the-art zero-shot methods typically rely on a sequence of surrogate likelihood functions, whose scores are used as proxies for the ideal score. This procedure however requires vector-Jacobian products through the denoiser at every reverse step, introducing significant memory and runtime overhead. To address this issue, we propose a new likelihood surrogate that yields simple and efficient to sample Gaussian posterior transitions, sidestepping the backpropagation through the denoiser network. Our extensive experiments show that our method achieves strong observation consistency compared with fine-tuned baselines and produces coherent, high-quality reconstructions, all while significantly reducing inference cost.

Information tasks such as writing surveys or analytical reports require complex search and reasoning, and have recently been grouped under the umbrella of _deep research_ --- a term also adopted by recent models targeting these capabilities. Despite growing interest, the scope of the deep research task remains underdefined and its distinction from other reasoning-intensive problems is poorly understood. In this paper, we propose a formal characterization of the deep research (DR) task and introduce a benchmark to evaluate the performance of DR systems. We argue that the core defining feature of deep research is not the production of lengthy report-style outputs, but rather the high fan-out over concepts required during the search process, i.e., broad and reasoning-intensive exploration.To enable objective evaluation, we define DR using an intermediate output representation that encodes key claims uncovered during search—separating the reasoning challenge from surface-level report generation. Based on this formulation, we propose a benchmark LiveDRBench with 100 challenging tasks over scientific topics (e.g., datasets, materials discovery, prior art search) and public interest events (e.g., flight incidents, movie awards). Across state-of-the-art DR systems, F1 score ranges between 0.02 and 0.72 for any sub-category. OpenAI's model performs the best with an overall F1 score of 0.55. Analysis of the reasoning traces reveals that systems cover only about half of the necessary search queries, with proprietary models issuing broader and and deeper queries than open source models, highlighting gaps in both coverage and reasoning depth.

Long-horizon sparse-reward tasks, such as goal-conditioned or robot manipulation tasks, remain challenging in offline reinforcement learning due to the credit assignment problem. Hierarchical methods have been proposed to tackle this problem by introducing sub-goal planning guided by value functions, which in principle can shorten the effective planning horizon for both high-level and low-level planners, and thereby avoiding the credit assignment problem. However, we demonstrate that the sub-goal selection mechanism is unreliable, as it relies on value functions suffering from generalization noise, which misguides value estimation and thus leads to sub-optimal sub-goals. In this work, to provide more reliable sub-goals, we novelly introduce a reliability-driven decision mechanism, and propose Reliability-Driven HRL (RD-HRL) as the solution. The reliability-driven decision mechanism provide decision-level targets from transition regions, thereby providing noise-immune decision spaces for high-level policy, ensuring the reliability of sub-goals (which are termed as action-level targets in this paper). Comprehensive experimental results demonstrate that our approach RD-HRL outperforms baseline methods across multiple benchmarks, highlighting the competitive advantages of RD-HRL. Our code is anonymously available at \url{https://anonymous.4open.science/r/RD-HRL-243D }.

Deep reinforcement learning (RL) suffers from plasticity loss severely due to the nature of non-stationarity, which impairs the ability to adapt to new data and learn continually. Unfortunately, our understanding of how plasticity loss arises, dissipates, and can be dissolved remains limited to empirical findings, leaving the theoretical end underexplored. To address this gap, we study the plasticity loss problem from the theoretical perspective of network optimization. By formally characterizing the two culprit factors in online RL process: the non-stationarity of data distributions and the non-stationarity of targets induced by bootstrapping, our theory attributes the loss of plasticity to two mechanisms: the rank collapse of the Neural Tangent Kernel (NTK) Gram matrix and the Θ(1/k) decay of gradient magnitude. The first mechanism echoes prior empirical findings from the theoretical perspective and sheds light on the effects of existing methods, e.g., network reset, neuron recycle, and noise injection. Against this backdrop, we focus primarily on the second mechanism and aim to alleviate plasticity loss by addressing the gradient attenuation issue, which is orthogonal to existing methods. We propose Sample Weight Decay (SWD) --- a lightweight method to restore gradient magnitude, as a general remedy to plasticity loss for deep RL methods based on experience replay. In experiments, we evaluate the efficacy of SWD upon TD3, SAC with SimBa architecture in MuJoCo and DeepMind Control Suite tasks. The results demonstrate that SWD effectively alleviates plasticity loss and consistently improves learning performance across various configurations of deep RL algorithms, UTD, network architectures, and environments, achieving SOTA performance on challenging DMC Humanoid tasks.

We introduce Synthetic Bootstrapped Pretraining (SBP), a language model (LM) pretraining procedure that first learns a model of relations between documents from the pretraining dataset and then leverages it to synthesize a vast new corpus for joint training. While the standard pretraining teaches LMs to learn causal correlations among tokens within a single document, it is not designed to efficiently model the rich, learnable inter-document correlations that can potentially lead to better performance. We validate SBP by designing a compute-matched pretraining setup and pretrain a 3B-parameter model on up to 1T tokens from scratch. We find SBP consistently improves upon a strong repetition baseline and delivers a significant fraction of performance improvement attainable by an oracle upper bound with access to 20x more unique data. Qualitative analysis reveals that the synthesized documents go beyond mere paraphrases -- SBP first abstracts a core concept from the seed material and then crafts a new narration on top of it. Besides strong empirical performance, SBP admits a natural Bayesian interpretation: the synthesizer implicitly learns to abstract the latent concepts shared between related documents.

Flow matching is a powerful generative modeling framework, valued for its simplicity and strong empirical performance. However, its standard formulation treats signals on structured spaces---such as fMRI data on brain graphs---as points in Euclidean space, overlooking the rich topological features of their domains. To address this, we introduce \emph{topological flow matching}, a topology-aware generalization of flow matching. We interpret flow matching as a framework for solving a degenerate Schrödinger bridge problem and inject topological information by augmenting the reference process with a Laplacian-derived drift. This principled modification captures the structure of the underlying domain while preserving the desirable properties of flow matching: a stable, simulation-free objective and deterministic sample paths. As a result, our framework serves as a plug-and-play replacement for standard flow matching. We demonstrate its effectiveness on diverse structured datasets, including brain fMRIs, ocean currents, seismic events, and traffic flows.

At NeurIPS 2024, Kera (2311.12904) introduced the use of transformers for computing Groebner bases, a central object in computer algebra with numerous practical applications. In this paper, we improve this approach by applying Hierarchical Attention Transformers (HATs) to solve systems of multivariate polynomial equations via Groebner bases computation. The HAT architecture incorporates a tree-structured inductive bias that enables the modeling of hierarchical relationships present in the data and thus achieves significant computational savings compared to conventional flat attention models. We generalize to arbitrary depths and include a detailed computational cost analysis. Combined with curriculum learning, our method solves instances that are much larger than those in Kera (2311.12904).

Graph generation has emerged as a critical task in fields ranging from drug discovery to circuit design. Contemporary approaches, notably diffusion and flow-based models, have achieved solid graph generative performance through constructing a probability path that interpolates between reference and data distributions. However, these methods typically model the evolution of individual nodes and edges independently and use linear interpolations in the disjoint space of nodes/edges to build the path. This disentangled interpolation breaks the interconnected patterns of graphs, making the constructed probability path irregular and non-smooth, which causes poor training dynamics and faulty sampling convergence. To address the limitation, this paper first presents a theoretically grounded framework for probability path construction in graph generative models. Specifically, we model the joint evolution of the nodes and edges by representing graphs as connected systems parameterized by Markov random fields (MRF). We then leverage the optimal transport displacement between MRF objects to design a smooth probability path that ensures the co-evolution of graph components. Based on this, we introduce BWFlow, a flow-matching framework for graph generation that utilizes the derived optimal probability path to benefit the training and sampling algorithm design. Experimental evaluations in plain graph generation and molecule generation validate the effectiveness of BWFlow with competitive performance, better training convergence, and efficient sampling.

The foundation of reproducible science lies in protocols that are precise, logically ordered, and executable. The autonomous generation of these protocols through natural language queries could greatly improve the efficiency of the reproduction process. However, current leading large language models (LLMs) often generate incomplete or inconsistent protocols, limiting their utility. To address this limitation, we first introduce SciRecipe, a large-scale dataset of over 12K structured protocols spanning 27 biological subfields and encompassing both comprehension and problem-solving tasks. To further improve protocol generation, we propose the "Sketch-and-Fill" paradigm, which separates analysis, structuring, and expression to ensure each step is explicit and verifiable. Complementing this, the structured component-based reward mechanism evaluates step granularity, action order, and semantic fidelity, aligning model optimization with experimental reliability. Building on these components, we develop Thoth, trained through a staged Knowledge-to-Action process that progresses from knowledge acquisition to operational reasoning and ultimately to robust, executable protocol generation. Across multiple benchmarks, Thoth consistently surpasses both proprietary and open-source LLMs, achieving significant improvements in step alignment, logical sequencing, and semantic accuracy. Our approach paves the way for reliable scientific assistants that bridge knowledge with experimental execution.

Perceiving and reconstructing 3D geometry from videos is a fundamental yet challenging computer vision task. To facilitate interactive and low-latency applications, we propose a streaming visual geometry transformer that shares a similar philosophy with autoregressive large language models. We explore a simple and efficient design and employ a causal transformer architecture to process the input sequence in an online manner. We use temporal causal attention and cache the historical keys and values as implicit memory to enable efficient streaming long-term 3D reconstruction. This design can handle low-latency 3D reconstruction by incrementally integrating historical information while maintaining high-quality spatial consistency. For efficient training, we propose to distill knowledge from the dense bidirectional visual geometry grounded transformer (VGGT) to our causal model. For inference, our model supports the migration of optimized efficient attention operators (e.g., FlashAttention) from large language models. Extensive experiments on various 3D geometry perception benchmarks demonstrate that our model enhances inference speed in online scenarios while maintaining competitive performance, thereby facilitating scalable and interactive 3D vision systems.

Predictive modeling over relational databases (RDBs) powers applications in various domains, yet remains challenging due to the need to capture both cross-table dependencies and complex feature interactions. Recent Relational Deep Learning (RDL) methods automate feature engineering via message passing, while classical approaches like Deep Feature Synthesis (DFS) rely on predefined non-parametric aggregators. Despite promising performance gains, the comparative advantages of RDL over DFS and the design principles for selecting effective architectures remain poorly understood. We present a comprehensive study that unifies RDL and DFS in a shared design space and conducts large-scale architecture-centric searches across diverse RDB tasks. Our analysis yields three key findings: (1) RDL does not consistently outperform DFS, with performance being highly task-dependent; (2) no single architecture dominates across tasks, underscoring the need for task-aware model selection; and (3) validation accuracy is an unreliable guide for architecture choice. This search yields a curated model performance bank that links model architecture configurations to their performance; leveraging this bank, we analyze the drivers of the RDL–DFS performance gap and introduce two task signals—RDB task homophily and an affinity embedding that captures path, feature, and temporal structure—whose correlation with the gap enables principled routing. Guided by these signals, we propose Relatron, a task embedding-based meta-selector that first chooses between RDL and DFS and then prunes the within-family search to deliver strong performance. Lightweight loss-landscape metrics further guard against brittle checkpoints by preferring flatter optima. In experiments, Relatron resolves the “**more tuning, worse performance**” effect and, in joint hyperparameter–architecture optimization, achieves up to 18.5\% improvement over strong baselines with $10\times$ lower computational cost than Fisher information–based alternatives.

Diffusion large language models (dLLMs) are compelling alternatives to autoregressive (AR) models because their denoising models operate over the entire sequence. The global planning and iterative refinement features of dLLMs are particularly useful for code generation. However, current training and inference mechanisms for dLLMs in coding are still under-explored. To demystify the decoding behavior of dLLMs and unlock their potential for coding, we systematically investigate their denoising processes and reinforcement learning (RL) methods. We train a 7B dLLM, DiffuCoder, on 130B tokens of code. Using this model as a testbed, we analyze its decoding behavior, revealing how it differs from that of AR models: (1) dLLMs can decide how causal their generation should be without relying on semi-AR decoding, and (2) increasing the sampling temperature diversifies not only token choices but also their generation order. This diversity creates a rich search space for RL rollouts. For RL training, to reduce the variance of token log-likelihood estimates and maintain training efficiency, we propose coupled-GRPO, a novel sampling scheme that constructs complementary mask noise for completions used in training. In our experiments, coupled-GRPO significantly improves DiffuCoder's performance on code generation benchmarks (+4.4\% on EvalPlus) and reduces reliance on AR bias during decoding. Our work provides deeper insight into the machinery of dLLM generation and offers an effective, diffusion-native RL training framework.

Reward models (RMs) are crucial in reinforcement learning from human feedback (RLHF) to align large language models (LLMs) with human values. However, RM training data is commonly recognized as low-quality, always containing preference conflicts and inductive biases, such as response length or speaking style, which can easily lead to reward overfitting and hacking. A few recent RM debiasing methods either target merely a single specific type of preference bias or only address simple linear bias relations such as Pearson coefficients. To mitigate more complicated inductive bias of reward modeling, inspired by the information bottleneck, we introduce a novel information-theoretic debiasing method called **D**ebiasing via **I**nformation optimization for **R**M (DIR). More specifically, our method trains RMs by maximizing the mutual information (MI) between preference prediction and input response pairs, while minimizing the MI between RM outputs and biased attributes of preference inputs. With the theoretical justification of information theory, DIR can handle different types of bias with more comprehensive non-linear correlations, enlarging its real-world application scenarios. In experiments, we verify the effectiveness of DIR with three types of inductive biases: response length, sycophancy, and format. Based on the numerical results, we discover that DIR can not only effectively diminish target inductive biases but also improve RLHF performances on various benchmarks with better generalization abilities.

Diffusion models generate high-quality, diverse images with great generalizability, yet when overfit to the training objective, they may memorize training samples. We analyze memorization and generalization of diffusion models through the lens of representation learning. Using a two-layer ReLU denoising autoencoder (DAE) parameterization, we show that memorization corresponds to the model learning the raw data matrix for encoding and decoding, yielding spiky representations; in contrast, generalization arises when the model captures local data statistics, producing balanced representations. We validate these insights by investigating representation spaces in real-world unconditional and text-to-image diffusion models, where the same distinctions emerge. Practically, we propose a representation-based memorization detection method and a simple representation-steering method that enables controllable editing of generalized samples. Together, our results underscore that *learning good representations is central to novel and meaningful generation*.

Multimodal large language models (MLLMs) suffer from high computational costs due to excessive visual tokens, particularly in high-resolution and video-based scenarios. Existing token reduction methods typically focus on isolated pipeline components and often neglect textual alignment, leading to performance degradation. In this paper, we propose VisionTrim, a unified framework for training-free MLLM acceleration, integrating two effective plug-and-play modules: 1) the Dominant Vision Token Selection (DVTS) module, which preserves essential visual tokens via global-local view, and 2) the Text-Guided Vision Complement (TGVC) module, which facilitates context-aware token merging guided by textual cues. Extensive experiments across diverse image and video multimodal benchmarks demonstrate the performance superiority of our VisionTrim, advancing practical MLLM deployment in real-world applications. Our full implementation will be publicly available.

Videos, with their unique temporal dimension, demand precise grounded understanding, where answers are directly linked to visual, interpretable evidence. Despite significant breakthroughs in text-based reasoning with large language models, multi-modal reasoning - especially for videos - remains limited. In this work, we fill this gap by introducing VideoMind, a novel video-language agent for temporal-grounded video reasoning. Our method involves two key innovations: (1) We identify four essential capabilities for grounded video reasoning and propose a role-based agentic workflow, comprising a planner to coordinate roles, a grounder for temporal event localization, a verifier to assess event candidates, and an answerer for question answering. (2) To efficiently integrate these roles during inference, we propose a novel Chain-of-LoRA mechanism, where a unified base model with multiple LoRA adapters is leveraged to enable seamless role switching, balancing efficiency and flexibility. Extensive experiments on 15 benchmarks across Grounded VideoQA, Video Temporal Grounding, and General VideoQA tasks demonstrate the effectiveness of the proposed scheme in advancing video agent, test-time scaling, and long-form video reasoning. Code, models, datasets, and demos are available at https://videomind.github.io/.

Learning-based methods for routing have gained significant attention in recent years, both in single-objective and multi-objective contexts. Yet, existing methods are unsuitable for routing on multigraphs, which feature multiple edges with distinct attributes between node pairs, despite their strong relevance in real-world scenarios. In this paper, we propose two graph neural network-based methods to address multi-objective routing on multigraphs. Our first approach operates directly on the multigraph by autoregressively selecting edges until a tour is completed. The second model, which is more scalable, first simplifies the multigraph via a learned pruning strategy and then performs autoregressive routing on the resulting simple graph. We evaluate both models empirically, across a wide range of problems and graph distributions, and demonstrate their competitive performance compared to strong heuristics and neural baselines.

Protein structure is central to biological function, and enabling multimodal protein models requires joint reasoning over sequence, structure, and function. A key barrier is the lack of principled protein structure tokenizers (PSTs): existing approaches fix token size or rely on continuous vector codebooks, limiting interpretability, multi-scale control, and transfer across architectures. We introduce GeoBPE, a geometry-grounded PST that transforms continuous, noisy, multi-scale backbone conformations into discrete ``sentences'' of geometry while enforcing global constraints. Analogous to byte-pair encoding, GeoBPE generates a hierarchical vocabulary of geometric primitives by iteratively (i) clustering Geo-Pair occurrences with k-medoids to yield a resolution-controllable vocabulary; (ii) quantizing each Geo-Pair to its closest medoid prototype; and (iii) reducing drift through differentiable inverse kinematics that optimizes boundary glue angles under an $\mathrm{SE}(3)$ end-frame loss. GeoBPE offers compression ($>$10× reduction in bits-per-residue at similar distortion rate), data efficiency ($>$10× less training data), and generalization (maintains test/train distortion ratio of $1.0-1.1$). It is architecture-agnostic: (a) its hierarchical vocabulary provides a strong inductive bias for coarsening residue-level embeddings from large PLMs into motif- and protein-level representations, consistently outperforming leading PSTs across $12$ tasks and $24$ test splits; (b) paired with a transformer, GeoBPE supports unconditional backbone generation via language modeling; and (c) tokens align with CATH functional families and support expert-interpretable case studies, offering functional meaning absent in prior PSTs.

Temporal context is essential for robotic manipulation because such tasks are inherently non-Markovian, yet mainstream VLA models typically overlook it and struggle with long-horizon, temporally dependent tasks. Cognitive science suggests that humans rely on working memory to buffer short-lived representations for immediate control, while the hippocampal system preserves verbatim episodic details and semantic gist of past experience for long-term memory. Inspired by these mechanisms, we propose MemoryVLA, a Cognition-Memory-Action framework for long-horizon robotic manipulation. A pretrained VLM encodes the observation into perceptual and cognitive tokens that form working memory, while a Perceptual-Cognitive Memory Bank stores low-level details and high-level semantics consolidated from it. Working memory retrieves decision-relevant entries from the bank, adaptively fuses them with current tokens, and updates the bank by merging redundancies. Using these tokens, a memory-conditioned diffusion action expert yields temporally aware action sequences. We evaluate MemoryVLA on 150+ simulation and real-world tasks across three robots. On SimplerEnv-Bridge, Fractal, LIBERO-5 suites and Mikasa-Robo, it achieves 71.9%, 72.7%, 96.5%, and 41.2% success rates, respectively, all outperforming state-of-the-art baselines CogACT and pi-0, with a notable +14.6 gain on Bridge and +11.8 gain on Mikasa-Robo. On 12 real-world tasks spanning general skills and long-horizon temporal dependencies, MemoryVLA achieves 84.0% success rate, with long-horizon tasks showing a +26 improvement over state-of-the-art baseline. Project Page: https://shihao1895.github.io/MemoryVLA