ICLR 2026 论文列表

Sheaf Neural Networks (SNNs) are a powerful algebraic-topology generalization of Graph Neural Networks (GNNs), and have been shown to significantly improve our ability to model complex relational data. While the GNN literature proved that incorporating directionality can substantially boost performance in many real-world applications, no SNNs approaches are known with such a capability. To address this limitation, we introduce the Directed Cellular Sheaf, a generalized cellular sheaf designed to explicitly account for edge orientations. Building on it, we define a corresponding sheaf Laplacian, the Directed Sheaf Laplacian $L^{\widetilde{\mathcal{F}}}$, which exploits the sheaf's structure to capture both the graph’s topology and its directions. $L^{\widetilde{\mathcal{F}}}$ serves as the backbone of the Directed Sheaf Neural Network (DSNN), the first SNN model to embed a directional bias into its architecture. Extensive experiments on twelve real-world benchmarks show that DSNN consistently outperforms many baseline methods.

Industrial design evaluation often relies on high-fidelity simulations of governing partial differential equations (PDEs). While accurate, these simulations are computationally expensive, making dense exploration of design spaces impractical. Operator learning has emerged as a promising approach to accelerate PDE solution prediction; however, its effectiveness is often limited by the scarcity of labeled physics-based data. At the same time, large numbers of geometry-only candidate designs are readily available but remain largely untapped. We propose a two-stage framework to better exploit this abundant, physics-agnostic resource and improve supervised operator learning under limited labeled data. In Stage 1, we pretrain an autoencoder on a geometry reconstruction task to learn an expressive latent representation without PDE labels. In Stage 2, the neural operator is trained in a standard supervised manner to predict PDE solutions, using the pretrained latent embeddings as inputs instead of raw point clouds. Transformer-based architectures are adopted for both the autoencoder and the neural operator to handle point cloud data and integrate both stages seamlessly. Across four PDE datasets and three state-of-the-art transformer-based neural operators, our approach consistently improves prediction accuracy compared to models trained directly on raw point cloud inputs. These results demonstrate that representations from physics-agnostic pretraining provide a powerful foundation for data-efficient operator learning.

We study the alternating gradient descent-ascent (AltGDA) algorithm in two-player zero-sum games. Alternating methods, where players take turns to update their strategies, have long been recognized as simple and practical approaches for learning in games, exhibiting much better numerical performance than their simultaneous counterparts. However, our theoretical understanding of alternating algorithms remains limited, and results are mostly restricted to the unconstrained setting. We show that for two-player zero-sum games that admit an interior Nash equilibrium, AltGDA converges at an $O(1/T)$ ergodic convergence rate when employing a small constant stepsize. This is the first result showing that alternation improves over the simultaneous counterpart of GDA in the constrained setting. For games without an interior equilibrium, we show an $O(1/T)$ local convergence rate with a constant stepsize that is independent of any game-specific constants. In a more general setting, we develop a performance estimation programming (PEP) framework to jointly optimize the AltGDA stepsize along with its worst-case convergence rate. The PEP results indicate that AltGDA may achieve an $O(1/T)$ convergence rate for a finite horizon $T$, whereas its simultaneous counterpart appears limited to an $O(1/\sqrt{T})$ rate.

We give a comprehensive theoretical analysis of transformers as time series pre- diction models, with a focus on MOIRAI (Woo et al., 2024). We study its ap- proximation and generalization capabilities. First, we demonstrate that there exist transformers that fit an autoregressive model on input univariate time series via gradient descent. We then analyze MOIRAI, one of the state-of-the-art multivariate time series prediction models capable of modeling arbitrary number of covariates. We prove that MOIRAI is capable of automatically fitting autoregressive models with an arbitrary number of covariates, offering insights into its design and em- pirical success. For generalization, we establish learning bounds for pretraining when the data satisfies Dobrushin’s condition. Experiments support our theoretical findings, highlighting the efficacy of using transformers for time series forecasting.

Many AI models trained on natural images develop representations that resemble those of the human brain. However, the factors that drive this brain-model similarity remain poorly understood. To disentangle how the model, training and data independently lead a neural network to develop brain-like representations, we trained a family of self supervised vision transformers (DINOv3) that systematically varied these different factors. We compare their representations of images to those of the human brain recorded with both fMRI and MEG, providing high resolution in both spatial and temporal analyses. We assess the brain-model similarity with three complementary metrics focusing on overall representational similarity, topographical organization, and temporal dynamics. We show that all three factors - model size, training amount, and image type - independently and interactively impact each of these brain similarity metrics. In particular, the largest DINOv3 models trained with the most human-centric images reach the highest brain-similarity. This emergence of brain-like representations in AI models follows a specific chronology during training: models first align with the early representations of the sensory cortices, and only align with the late and prefrontal representations of the brain with considerably more training. Finally, this developmental trajectory is indexed by both structural and functional properties of the human cortex: the representations that are acquired last by the models specifically align with the cortical areas with the largest developmental expansion, thickness, least myelination, and slowest timescales. Overall, these findings disentangle the interplay between architecture and experience in shaping how artificial neural networks come to see the world as humans do, thus offering a promising framework to understand how the human brain comes to represent its visual world.

Large language models (LLMs) with advanced step-by-step reasoning capabilities have achieved remarkable performance in complex problem-solving through chain-of-thought (CoT) reasoning. However, uniformly applying elaborate reasoning to all queries creates substantial computational inefficiency, as many problems can be solved directly without extended reasoning chains. Current hybrid reasoning approaches rely on static hyperparameters and heuristic single-objective optimization, leading to suboptimal trade-offs and poor adaptation to varying task complexities. To address these limitations, we propose a multi-objective adaptive generation optimization (MAGO) framework, which integrates multi-objective optimization with dynamic adaptive weighting into hybrid reasoning. MAGO optimizes three competing objectives simultaneously: accuracy (maintaining solution correctness), efficiency (minimizing computational costs through appropriate mode selection), and calibration (ensuring mode selection aligns with model capabilities). The framework employs Pareto frontier maintenance with correlation-aware optimization to automatically explore the full trade-off space, avoiding the spatial constraints that limit fixed-weight approaches to narrow cone-shaped regions of the objective space. Unlike existing methods requiring manual hyperparameter tuning, MAGO's Pareto optimization dynamically adapts weights based on task complexity and training progress, achieving principled and adaptive decision-making across varying problem complexities. Comprehensive evaluation on mathematical reasoning benchmarks including AIME, Minerva Algebra, MATH-500, and GSM-8K shows $2.2\times$ to $3\times$ token-efficiency gains and relative accuracy improvements of $0.6\%$ to $9.4\%$ over heuristic baselines, while remaining competitive with the strongest task-specific models. Additional experiments on CommonsenseQA and MedQA further confirm the framework's generalizability beyond mathematics, achieving $1$ to $2\%$ higher accuracy and approximately $2\times$ efficiency improvement without additional fine-tuning.

Accurate detection of all pathological findings in 3D medical images remains a significant challenge, as supervised models are limited to detecting only the few pathology classes annotated in existing datasets. To address this, we frame pathology detection as an unsupervised visual anomaly segmentation (UVAS) problem, leveraging the inherent rarity of pathological patterns compared to healthy ones. We enhance the existing density-based UVAS framework with two key innovations: (1) dense self-supervised learning for feature extraction, eliminating the need for supervised pretraining, and (2) learned, masking-invariant dense features as conditioning variables, replacing hand-crafted positional encodings. Trained on over 30,000 unlabeled 3D CT volumes, our fully self-supervised model, Screener, outperforms existing UVAS methods on four large-scale test datasets comprising 1,820 scans with diverse pathologies. Furthermore, in a low-shot supervised fine-tuning setting, Screener surpasses existing self-supervised pretraining methods, establishing it as a state-of-the-art foundation for pathology segmentation. The code and pretrained models will be made publicly available.

As large language models (LLMs) are increasingly used for ideation and scientific discovery, it is important to evaluate their ability to generate novel output. Prior work evaluates novelty as originality with respect to model training data, but original outputs can be of low quality. In contrast, non-expert judges more reliably score quality but may favor memorized outputs, limiting the reliability of human preference as a metric. We introduce a new novelty metric for LLM generations that balances originality and quality---the harmonic mean of the fraction of \ngrams unseen during training and a task-specific quality score. Using this framework, we identify trends that affect the novelty of generations from three families of open-data models (OLMo, OLMo-2, and Pythia) on three creative tasks---story completion, poetry writing, and creative tool use. We find that model-generated text from some base LLMs is less novel than human-written text from the internet. However, increasing model scale (OLMo 1B to 7B to 32B) and post-training reliably improves novelty due to improvements in output quality. We also find that improving the base model at the same scale (\eg OLMo 7B to OLMo-2 7B) leads to higher novelty due to higher originality. Finally, we observe that inference-time methods, such as prompting and providing novel in-context examples, have a much smaller effect on novelty, often increasing originality at the expense of quality. This highlights the need for further research into more effective elicitation strategies as we use models for creative applications.

Generalization in embodied AI is hindered by the "seeing-to-doing gap", stemming from data scarcity and embodiment heterogeneity. To address this, we pioneer "pointing" as a unified, embodiment-agnostic intermediate representation, defining four core embodied pointing abilities that bridge high-level vision-language comprehension with low-level action primitives. We introduce Embodied-R1, a 3B Vision-Language Model (VLM) specifically designed for embodied reasoning and pointing. We use a wide range of embodied and general visual reasoning datasets as sources to construct a large-scale dataset, Embodied-Points-200K, which supports key embodied pointing capabilities. Then we train Embodied-R1 using a two-stage Reinforced Fine-tuning (RFT) curriculum with specialized multi-task reward design. Embodied-R1 achieves state-of-the-art performance on 11 embodied spatial and pointing benchmarks. Critically, it demonstrates robust zero-shot generalization by achieving a 56.2% success rate in the SIMPLEREnv and 87.5% across 8 real-world XArm tasks without any task-specific fine-tuning, representing a 62% improvement over strong baselines. Furthermore, the model exhibits high robustness against diverse visual disturbances. Our work shows that a pointing-centric representation, combined with an RFT training paradigm, offers an effective and generalizable pathway to closing the perception-action gap in robotics.

Standard autoregressive language models generate text token-by-token from a fixed vocabulary, inducing a *tree-structured state space* when viewing token sampling as an action, which limits flexibility and expressiveness. Recent work introduces dynamic vocabulary by sampling retrieved text spans but overlooks that the same sentence can be composed of spans of varying lengths, lacking explicit modeling of the *directed acyclic graph (DAG) state space*. This leads to restricted exploration of compositional paths and is biased toward the chosen path. Generative Flow Networks (GFlowNets) are powerful for efficient exploring and generalizing over state spaces, particularly those with a DAG structure. However, prior GFlowNets-based language models operate at the token level and remain confined to tree-structured spaces, limiting their potential. In this work, we propose **F**low **o**f **S**pan**S** (**FOSS**), a principled GFlowNets framework for span generation. FoSS constructs a dynamic span vocabulary by segmenting the retrieved text flexibly, ensuring a DAG-structured state space, which allows GFlowNets to explore diverse compositional paths and improve generalization. With specialized reward models, FoSS generates diverse, high-quality text. Empirically, FoSS improves MAUVE scores by up to 12.5\% over Transformer on text generation and achieves 3.5\% gains on knowledge-intensive tasks, consistently outperforming state-of-the-art methods. Scaling experiments further demonstrate FoSS benefits from larger models, more data, and richer retrieval corpora, retaining its advantage over strong baselines.

Reinforcement learning from human or AI feedback (RLHF/RLAIF) has become the standard paradigm for aligning large language models (LLMs). However, most pipelines rely on a single reward model (RM), limiting alignment quality and risking overfitting. Recent work explores RM routing—dynamically selecting an RM from a candidate pool to exploit complementary strengths while maintaining \(O(1)\) RM calls—but existing methods suffer from cold-start and insufficient exploration. We propose {\name}, a hybrid routing framework that combines offline RM strengths learning with online Bayesian selection. In the offline stage, a multi-task router is trained on preference data to estimate per-RM reliability. In the online stage, a Bayesian Thompson sampling router performs per-query RM selection, initializing RM-specific weight vectors with offline embeddings as Gaussian priors and adaptively updating their posteriors with online rewards to adapt to the evolving policy distribution. Extensive experiments on instruction-following (AlpacaEval-2, Arena-Hard, MT-Bench) and reasoning (GSM8K, MMLU) benchmarks show that {\name} consistently outperforms individual RMs, RM ensembling, and existing routing methods.

Vision-language models (VLMs) face significant computational inefficiencies caused by excessive generation of visual tokens. While prior work shows that a large fraction of visual tokens are redundant, existing compression methods struggle to balance \textit{importance preservation} and \textit{information diversity}. To address this, we propose $\textbf{PruneSID}$, a training-free Synergistic Importance-Diversity approach featuring a two-stage pipeline: (1) Principle Semantic Components Analysis (PSCA) for clustering tokens into semantically coherent groups, ensuring comprehensive concept coverage, and (2) Intra-group Non-Maximum Suppression (NMS) for pruning redundant tokens while preserving key representative tokens within each group. Additionally, $\textbf{PruneSID}$ incorporates an information-aware dynamic compression ratio mechanism that optimizes token compression rates based on image complexity, enabling more effective average information preservation across diverse scenes. Extensive experiments demonstrate state-of-the-art performance, achieving $\textbf{96.3}$% accuracy on LLaVA-1.5 with only $\textbf{11.1}$% token retention, and $\textbf{92.8}$% accuracy at extreme compression rates ($\textbf{5.6}$%) on LLaVA-NeXT, outperforming prior methods by $\textbf{2.5}$% with $\textbf{7.8}$x faster prefilling speed compared to the original model. Our framework generalizes across diverse VLMs and both image and video modalities, showcasing strong cross-modal versatility.

Large Language Models (LLMs) have recently been widely adopted in conversational agents. However, the increasingly long interactions between users and agents accumulate extensive dialogue records, making it difficult for LLMs with limited context windows to maintain a coherent long-term dialogue memory and deliver personalized responses. While retrieval-augmented memory systems have emerged to address this issue, existing methods often depend on single-granularity memory segmentation and retrieval. This approach falls short in capturing deep memory connections, leading to partial retrieval of useful information or substantial noise, resulting in suboptimal performance. To tackle these limits, we propose MemGAS, a framework that enhances memory consolidation by constructing multi-granularity association, adaptive selection, and retrieval. MemGAS is based on multi-granularity memory units and employs Gaussian Mixture Models to cluster and associate new memories with historical ones. An entropy-based router adaptively selects optimal granularity by evaluating query relevance distributions and balancing information completeness and noise. Retrieved memories are further refined via LLM-based filtering. Experiments on four long-term memory benchmarks demonstrate that MemGAS outperforms state-of-the-art methods on both question answer and retrieval tasks, achieving superior performance across different query types and top-K settings. \footnote{https://anonymous.4open.science/r/MemGAS-626C/}

Length generalization, the ability to solve problems of longer sequences than those observed during training, poses a core challenge of Transformer-based large language models (LLMs). Although existing studies have predominantly focused on data-driven approaches for particular arithmetic operations or symbolic manipulation tasks, these approaches tend to be task-specific with limited performance on individual tasks. To pursue a more general solution, this paper focuses on a broader case of reasoning problems that are *computable*, *i.e.*, problems that algorithms can solve, thus can be solved by the Turing machine, which operates over inputs of unbounded length. From this perspective, this paper proposes **T**uring m**A**chine **I**mitation **L**earning (**TAIL**) to improve the length generalization ability of LLMs. TAIL uses computer programs to directly synthesize chain-of-thought (CoT) data that imitate the execution process of a Turing machine, which *linearly* expands the reasoning steps into *atomic* states to alleviate shortcut pattern learning and explicit *memory* fetch mechanism to reduce the difficulties of dynamic and long-range data access. To validate the universality and reliability of TAIL, we construct a challenging synthetic dataset covering 8 classes of algorithms and 18 tasks. Without bells and whistles, TAIL significantly improves the length generalization ability as well as the performance of Qwen2.5-7B in individual tasks using only synthetic data, surpassing previous methods and DeepSeek-R1. The experimental results reveal that the key concepts in the Turing machine, instead of the human-like thinking styles, are indispensable for TAIL for length generalization, through which the model exhibits read-and-write behaviors consistent with the properties of the Turing machine in their attention layers. This work provides a promising direction for future research in the learning of LLM reasoning from synthetic data.

Parameter-efficient continual learning has emerged as a promising approach for large language models (LLMs) to mitigate catastrophic forgetting while enabling adaptation to new tasks. Current Low-Rank Adaptation (LoRA) continual learning techniques often retain and freeze previously learned LoRAs or generate data representations to overcome forgetting, typically utilizing these to support new LoRAs learn new tasks. However, these methods not only ignore growing computational memory with tasks and limited storage space but also suffer from potential task interference due to the lack of effective LoRA merging mechanisms. In this paper, we propose a novel continual learning method that orthogonally initializes and sequentially merges LoRAs updates into a single unified LoRA. Our method leverages orthogonal basis extraction from previously learned LoRA to initialize the learning of new tasks, further exploits the intrinsic asymmetry property of LoRA components by using a time-aware scaling mechanism to balance new and old knowledge during continual merging. Our approach maintains constant memory complexity with respect to the number of tasks, minimizes interference between past and new tasks via orthogonal basis initialization, and improves performance over asymmetric LoRA merging via adaptive scaling. We provide theoretical analysis to justify our design and conduct extensive experiments across diverse continual learning benchmarks using various Llama models, demonstrating the effectiveness and efficiency of our method.

We introduce Robust Multi-Objective Decoding (RMOD), a novel inference-time algorithm that robustly aligns Large Language Models (LLMs) to multiple human objectives (e.g., instruction-following, helpfulness, safety) by maximizing the worst-case rewards. RMOD formulates the robust decoding problem as a maximin two-player game between adversarially computed reward weights and the sampling policy, solvable through a Nash equilibrium. We demonstrate that this game reduces to a convex optimization problem to identify the worst-case reward weights, with the optimal sampling policy analytically derived. For practical applications, we propose an efficient algorithm of RMOD tailored for contemporary LLMs, introducing minimal computational overhead compared to standard non-robust Controlled Decoding methods. Experimental results across a range of popular alignment datasets with up to 10 objectives show the effectiveness of RMOD and its distilled version, consistently outperforming baselines in worst-case rewards and win rates.

Vision-Language Models (VLMs) have made significant progress in explicit instruction-based navigation; however, their ability to interpret implicit human needs (e.g., ''I am thirsty'') in dynamic urban environments remains underexplored. This paper introduces CitySeeker, a novel benchmark designed to assess VLMs’ spatial reasoning and decision-making capabilities for exploring embodied urban navigation to address implicit needs. CitySeeker includes 6,440 trajectories across 8 cities, capturing diverse visual characteristics and implicit needs in 7 goal-driven scenarios. Extensive experiments reveal that even top-performing models (e.g., Qwen2.5-VL-32B-Instruct) achieve only 21.1% task completion. We find key bottlenecks in error accumulation in long-horizon reasoning, inadequate spatial cognition, and deficient experiential recall. To further analyze them, we investigate a series of exploratory strategies—Backtracking Mechanisms, Enriching Spatial Cognition, and Memory-Based Retrieval (BCR), inspired by human cognitive mapping's emphasis on iterative observation-reasoning cycles and adaptive path optimization. Our analysis provides actionable insights for developing VLMs with robust spatial intelligence required for tackling ''last-mile'' navigation challenges.

Transformers form the foundation of modern generative AI, yet their key–value memory lacks inherent spatial priors, constraining their capacity for spatial reasoning. In contrast, neuroscience points to the hippocampal–entorhinal system, where the medial entorhinal cortex provides structural codes and the hippocampus binds them with sensory codes to enable flexible spatial inference. However, existing hippocampus models such as the Tolman-Eichenbaum Machine (TEM) suffer from inefficiencies due to outer-product operations or context-length bottlenecks in self-attention, limiting their scalability and integration into modern deep learning frameworks. To bridge this gap, we propose mm-TEM, an efficient and scalable structural spatial memory model that leverages meta-MLP relational memory to improve training efficiency, form grid-like representations, and reveal an intriguing link between prediction horizon and grid scales. Extensive evaluation shows its good generalization on long sequences, large-scale environments, and multi-step prediction, with analyses confirming that its advantages stem from explicit understanding of spatial structures. Building on this, we introduce Hippoformer, which integrates mm-TEM with Transformer to combine structural spatial memory with precise working memory, achieving superior generalization in both 2D and 3D prediction tasks and highlighting the potential of hippocampal-inspired architectures for complex domains. Overall, Hippoformer represents a initial step toward seamlessly embedding structured spatial memory into foundation architectures, offering a potential scalable path to endow deep learning models with spatial intelligence.

Test-time compute can be scaled both sequentially and in parallel. Sequential scaling involves lengthening the generation process, while parallel scaling involves verifying and selecting among multiple candidate outputs. Combining these two strategies has led to the most powerful AI systems, such as Grok 4 Heavy, GPT-5 Pro, and Gemini-2.5 Pro Deep Think. A key observation is that, in certain contexts (e.g., solving Sudoku puzzles), verifying responses can be substantially easier than generating them. This property, referred to as \emph{asymmetric verification}, highlights the strong potential of test-time scaling. In this work, we study both sequential and parallel test-time scaling of deep search agents, motivated by the intuition that verification in this setting is often much easier than generation. In experiments, we first show that sequential scaling methods, such as budget forcing, can be effective initially but eventually degrade performance when over-applied in agentic search. Due to asymmetric verification, however, we are able to achieve substantial improvements by allocating only a modest amount of compute to the verifier. We conduct experiments with flagship open-source models, including GLM-4.5, K2, Qwen3-2507 and Tongyi-DeepResearch, and extend them to their ``Heavy'' variants through test-time scaling. These deep research agents achieve improvements of up to 20 absolute points on benchmarks such as BrowseComp. Remarkably, as an open-source alternative, GLM-4.5 Heavy reaches accuracy of {\bf 54.0\%} on BrowseComp, {\bf 66.0\%} on GAIA, and {\bf 68.0\%} on xbench-DeepSearch, placing it on par with the best proprietary choices such as OpenAI Deep Research and o3. Tongyi-DeepResearch Heavy pushes performance even further, attaining {\bf 69.0\%} accuracy on BrowseComp.