NeurIPS 2025 Papers

In-context learning (ICL), a nonparametric learning method based on the knowledge of demonstration sets, has become a de facto standard for large language models (LLMs). The primary goal of ICL is to select valuable demonstration sets to enhance the performance of LLMs. Traditional ICL methods choose demonstration sets that share similar features with a given query. However, we have found that the performance of these traditional ICL approaches is limited on out-of-distribution (OOD) datasets, where the demonstration set and the query originate from different distributions. To ensure robust performance in OOD datasets, it is essential to learn causal representations that remain invariant between the source and target datasets. Inspired by causal representation learning, we propose causal-aware in-context learning (CCL). CCL captures the causal representations of a given dataset and selects demonstration sets that share similar causal features with the query. To achieve this, CCL employs a novel VAE-based causal representation learning technique. We demonstrate that CCL improves the OOD generalization performance of LLMs both theoretically and empirically. Code is available at: \url{https://github.com/MLAI-Yonsei/causal-context-learning}

Federated Graph Learning (FGL) offers a promising framework for collaboratively training Graph Neural Networks (GNNs) while preserving data privacy. In resource-constrained environments, One-shot Federated Learning (OFL) emerges as an effective solution by limiting communication to a single round. Current OFL approaches employing generative models have attracted considerable attention; however, they face unresolved challenges: these methods are primarily designed for traditional image data and fail to capture the fine-grained structural information of local graph data. Consequently, they struggle to integrate the intricate correlations necessary and transfer subtle structural insights from each client to the global model. To address these issues, we introduce **OASIS**, an innovative one-shot FGL framework. In OASIS, we propose a Synergy Graph Synthesizer designed to generate informative synthetic graphs and introduce a Topological Codebook to construct a structural latent space. Moreover, we propose the Wasserstein-Enhanced Semantic Affinity Distillation (WESAD) to incorporate rich inter-class relationships and the Wasserstein-Driven Structural Relation Distillation (WDSRD) to facilitate the effective transfer of structural knowledge from the Topological Codebook. Extensive experiments on real-world tasks demonstrate the superior performance and generalization capability of OASIS. The code is available for anonymous access at https://anonymous.4open.science/r/OASIS-NeurIPS25.

Ring attractors, mathematical models inspired by neural circuit dynamics, provide a biologically plausible mechanism to improve learning speed and accuracy in Reinforcement Learning (RL). Serving as specialized brain-inspired structures that encode spatial information and uncertainty, ring attractors explicitly encode the action space, facilitate the organization of neural activity, and enable the distribution of spatial representations across the neural network in the context of Deep Reinforcement Learning (DRL). These structures also provide temporal filtering that stabilizes action selection during exploration, for example, by preserving the continuity between rotation angles in robotic control or adjacency between tactical moves in game-like environments. The application of ring attractors in the action selection process involves mapping actions to specific locations on the ring and decoding the selected action based on neural activity. We investigate the application of ring attractors by both building an exogenous model and integrating them as part of DRL agents. Our approach significantly improves state-of-the-art performance on the Atari 100k benchmark, achieving a 53\% increase in performance over selected baselines.

Existing recommendation systems either rely on user interaction logs, such as online shopping history for shopping recommendations, or focus on text signals. However, item-based histories are not always accessible and generalizable for multimodal recommendation. We hypothesize that a user's visual history --- comprising images from daily life --- can offer rich, task-agnostic insights into their interests and preferences, and thus be leveraged for effective personalization. To this end, we propose VisualLens, a novel framework that leverages multimodal large language models (MLLMs) to enable personalization using task-agnostic visual history. VisualLens extracts, filters, and refines a spectrum user profile from the visual history to support personalized recommendation. We created two new benchmarks, Google-Review-V and Yelp-V, with task-agnostic visual histories, and show that VisualLens improves over state-of-the-art item-based multimodal recommendations by 5-10\% on Hit@3, and outperforms GPT-4o by 2-5\%. Further analysis shows that VisualLens is robust across varying history lengths and excels at adapting to both longer histories and unseen content categories.

While deep learning has achieved remarkable success across many domains, it has historically underperformed on tabular learning tasks, which remain dominated by gradient boosting decision trees. However, recent advancements are paving the way for Tabular Foundation Models, which can leverage real-world knowledge and generalize across diverse datasets, particularly when the data contains free-text. Although incorporating language model capabilities into tabular tasks has been explored, most existing methods utilize static, target-agnostic textual representations, limiting their effectiveness. We introduce TabSTAR: a Tabular Foundation Model with Semantically Target-Aware Representations. TabSTAR is designed to enable transfer learning on tabular data with textual features, with an architecture free of dataset-specific parameters. It unfreezes a pretrained text encoder and takes as input target tokens, which provide the model with the context needed to learn task-specific embeddings. TabSTAR achieves state-of-the-art performance for both medium- and large-sized datasets across known benchmarks of classification tasks with text features, and its pretraining phase exhibits scaling laws in the number of datasets, offering a pathway for further performance improvements.

Computer-Aided Design (CAD) is pivotal in industrial manufacturing, with orthographic projection reasoning foundational to its entire workflow—encompassing design, manufacturing, and simulation. However, prevailing deep-learning approaches employ standard 3D reconstruction pipelines as an alternative, which often introduce imprecise dimensions and limit the parametric editability required for CAD workflows. Recently, some researchers adopt vision–language models (VLMs), particularly supervised fine-tuning (SFT), to tackle CAD-related challenges. SFT shows promise but often devolves into pattern memorization, resulting in poor out-of-distribution (OOD) performance on complex reasoning tasks. To tackle these limitations, we introduce CReFT-CAD, a two-stage fine-tuning paradigm: first, a curriculum-driven reinforcement learning stage with difficulty-aware rewards to steadily build reasoning abilities; second, supervised post-tuning to refine instruction following and semantic extraction. Complementing this, we release TriView2CAD, the first large-scale, open-source benchmark for orthographic projection reasoning, comprising 200,000 synthetic and 3,000 real-world orthographic projections with precise dimensional annotations and six interoperable data modalities. Benchmarking leading VLMs on orthographic projection reasoning, we show that CReFT-CAD significantly improves reasoning accuracy and OOD generalizability in real-world scenarios, providing valuable insights to advance CAD reasoning research. The code and adopted datasets are available at \url{https://github.com/KeNiu042/CReFT-CAD}.

We introduce a framework for Thompson sampling (TS) contextual bandit algorithms, in which the algorithm's ability to quantify uncertainty and make decisions depends on the quality of a generative model that is learned offline. Instead of viewing uncertainty in the environment as arising from unobservable latent parameters, our algorithm treats uncertainty as stemming from missing, but potentially observable outcomes (including both future and counterfactual outcomes). If these outcomes were all observed, one could simply make decisions using an "oracle" policy fit on the complete dataset. Inspired by this conceptualization, at each decision-time, our algorithm uses a generative model to probabilistically impute missing outcomes, fits a policy using the imputed complete dataset, and uses that policy to select the next action. We formally show that this algorithm is a generative formulation of TS and establish a state-of-the-art regret bound. Notably, our regret bound depends on the generative model only through the quality of its offline prediction loss, and applies to any method of fitting the "oracle" policy.

Recent studies have demonstrated the feasibility of modeling single-cell data as natural languages and the potential of leveraging powerful large language models (LLMs) for understanding cell biology. However, a comprehensive evaluation of LLMs' performance on language-driven single-cell analysis tasks still remains unexplored. Motivated by this challenge, we introduce CellVerse, a unified language-centric question-answering benchmark that integrates four types of single-cell multi-omics data and encompasses three hierarchical levels of single-cell analysis tasks: cell type annotation (cell-level), drug response prediction (drug-level), and perturbation analysis (gene-level). Going beyond this, we systematically evaluate the performance across 14 open-source and closed-source LLMs ranging 160M $\rightarrow$ 671B on CellVerse. Remarkably, the experimental results reveal: (1) Existing specialist models (C2S-Pythia) fail to make reasonable decisions across all sub-tasks within CellVerse, while generalist models such as Qwen, Llama, GPT, and DeepSeek family models exhibit preliminary understanding capabilities within the realm of cell biology. (2) The performance of current LLMs falls short of expectations and has substantial room for improvement. Notably, in the widely studied drug response prediction task, none of the evaluated LLMs demonstrate significant performance improvement over random guessing. CellVerse offers the first large-scale empirical demonstration that significant challenges still remain in applying LLMs to cell biology. By introducing CellVerse, we lay the foundation for advancing cell biology through natural languages and hope this paradigm could facilitate next-generation single-cell analysis. Project Page: https://cellverse-cuhk.github.io

The integration of image and event streams offers a promising approach for achieving robust visual object tracking in complex environments. However, current fusion methods achieve high performance at the cost of significant computational overhead and struggle to efficiently extract the sparse, asynchronous information from event streams, failing to leverage the energy-efficient advantages of event-driven spiking paradigms. To address this challenge, we propose the first fully Spiking Frame-Event Tracking framework called SpikeFET. This network achieves synergistic integration of convolutional local feature extraction and Transformer-based global modeling within the spiking paradigm, effectively fusing frame and event data. To overcome the degradation of translation invariance caused by convolutional padding, we introduce a Random Patchwork Module (RPM) that eliminates positional bias through randomized spatial reorganization and learnable type encoding while preserving residual structures. Furthermore, we propose a Spatial-Temporal Regularization (STR) strategy that overcomes similarity metric degradation from asymmetric features by enforcing spatio-temporal consistency among temporal template features in latent space. Extensive experiments across multiple benchmarks demonstrate that the proposed framework achieves superior tracking accuracy over existing methods while significantly reducing power consumption, attaining an optimal balance between performance and efficiency.

Multimodal Large Language Models (MLLMs) with Federated Learning (FL) can quickly adapt to privacy-sensitive tasks, but face significant challenges such as high communication costs and increased attack risks, due to their reliance on multi-round communication. To address this, One-shot FL (OFL) has emerged, aiming to complete adaptation in a single client-server communication. However, existing adaptive ensemble OFL methods still need more than one round of communication, because correcting heterogeneity-induced local bias relies on aggregated global supervision, meaning they still do not achieve true one-shot communication. In this work, we make the first attempt to achieve true one-shot communication for MLLMs under OFL, by investigating whether implicit (i.e., initial rather than aggregated) global supervision alone can effectively correct local training bias. Our key finding from the empirical study is that imposing directional supervision on local training substantially mitigates client conflicts and local bias. Building on this insight, we propose YOCO, in which directional supervision with sign-regularized LoRA B enforces global consistency, while sparsely regularized LoRA A preserves client-specific adaptability. Experiments demonstrate that YOCO cuts communication to $\sim$0.03\% of multi-round FL while surpassing those methods in several multimodal scenarios and consistently outperforming all one-shot competitors.

Models of hybrid dynamical systems are widely used to answer questions about the causes and effects of dynamic events in time. Unfortunately, existing causal reasoning formalisms lack support for queries involving the dynamically triggered, discontinuous interventions that characterize hybrid dynamical systems. This mismatch can lead to ad-hoc and error-prone causal analysis workflows in practice. To bridge the gap between the needs of hybrid systems users and current causal inference capabilities, we develop a rigorous counterfactual semantics by formalizing interventions as transformations to the constraints of hybrid systems. Unlike interventions in a typical structural causal model, however, interventions in hybrid systems can easily render the model ill-posed. Thus, we identify mild conditions under which our interventions maintain solution existence, uniqueness, and measurability by making explicit connections to established hybrid systems theory. To illustrate the utility of our framework, we formalize a number of canonical causal estimands and explore a case study on the probabilities of causation with applications to fishery management. Our work simultaneously expands the modeling possibilities available to causal inference practitioners and begins to unlock decades of causality research for users of hybrid systems.

Tokenization imposes a fixed granularity on the input text, freezing how a language model operates on data and how far in the future it predicts. Byte Pair Encoding (BPE) and similar schemes split text once, build a static vocabulary, and leave the model stuck with that choice. We relax this rigidity by introducing an autoregressive U-Net that learns to embed its own tokens as it trains. The network reads raw bytes, pools them into words, then pairs of words, then up to 4 words, giving it a multi-scale view of the sequence. At deeper stages, the model must predict further into the future -- anticipating the next few words rather than the next byte -- so deeper stages focus on broader semantic patterns while earlier stages handle fine details. When carefully tuning and controlling pretraining compute, shallow hierarchies tie strong BPE baselines, and deeper hierarchies have a promising trend. Because tokenization now lives inside the model, the same system can handle character-level tasks and carry knowledge across low-resource languages.

The way humans interact with each other, including interpersonal distances, spatial configuration, and motion, varies significantly across different situations. To enable machines to understand such complex, context-dependent behaviors, it is essential to model multiple people in relation to the surrounding scene context. In this paper, we present a novel research problem to model the correlations between two people engaged in a shared interaction involving an object. We refer to this formulation as Human-Human-Object Interactions (HHOIs). To overcome the lack of dedicated datasets for HHOIs, we present a newly captured HHOIs dataset and a method to synthesize HHOI data by leveraging image generative models. As an intermediary, we obtain individual human-object interaction (HOIs) and human-human interaction (HHIs) from the HHOIs, and with these data, we train an text-to-HOI and text-to-HHI model using score-based diffusion model. Finally, we present a unified generative framework that integrates the two individual model, capable of synthesizing complete HHOIs in a single advanced sampling process. Our method extends HHOI generation to multi-human settings, enabling interactions involving more than two individuals. Experimental results show that our method generates realistic HHOIs conditioned on textual descriptions, outperforming previous approaches that focus only on single-human HOIs. Furthermore, we introduce multi-human motion generation involving objects as an application of our framework.

Chance constrained programming (CCP) is a powerful framework for addressing optimization problems under uncertainty. In this paper, we introduce a novel Gradient-Guided Diffusion-based Optimization framework, termed GGDOpt, which tackles CCP through three key innovations. First, GGDOpt accommodates a broad class of CCP problems without requiring the knowledge of the exact distribution of uncertainty—relying solely on a set of samples. Second, to address the nonconvexity of the chance constraints, it reformulates the CCP as a sampling problem over the product of two distributions: an unknown data distribution supported on a nonconvex set and a Boltzmann distribution defined by the objective function, which fully leverages both first- and second-order gradient information. Third, GGDOpt has theoretical convergence guarantees and provides practical error bounds under mild assumptions. By progressively injecting noise during the forward diffusion process to convexify the nonconvex feasible region, GGDOpt enables guided reverse sampling to generate asymptotically optimal solutions. Experimental results on synthetic datasets and a waveform design task in wireless communications demonstrate that GGDOpt outperforms existing methods in both solution quality and stability with nearly 80\% overhead reduction.

The claim that the AI community, or society at large, should ‘democratize AI’ has attracted considerable critical attention and controversy. Two core problems have arisen and remain unsolved: conceptual disagreement persists about what democratizing AI means; normative disagreement persists over whether democratizing AI is ethically and politically desirable. We identify eight common AI democratization traps: democratization-skeptical arguments that seem plausible at first glance, but turn out to be misconceptions. We develop arguments about how to resist each trap. We conclude that, while AI democratization may well have drawbacks, we should be cautious about dismissing AI democratization prematurely and for the wrong reasons. We offer a constructive roadmap for developing alternative conceptual and normative approaches to democratizing AI that successfully avoid the traps.

Deep reinforcement learning (RL) agents frequently suffer from neuronal activity loss, which impairs their ability to adapt to new data and learn continually. A common method to quantify and address this issue is the $\tau$-dormant neuron ratio, which uses activation statistics to measure the expressive ability of neurons. While effective for simple MLP-based agents, this approach loses statistical power in more complex architectures. To address this, we argue that in advanced RL agents, maintaining a neuron's **learning capacity**, its ability to adapt via gradient updates, is more critical than preserving its expressive ability. Based on this insight, we shift the statistical objective from activations to gradients, and introduce **GraMa** (**Gra**dient **Ma**gnitude Neural Activity Metric), a lightweight, architecture-agnostic metric for quantifying neuron-level learning capacity. We show that **GraMa** effectively reveals persistent neuron inactivity across diverse architectures, including residual networks, diffusion models, and agents with varied activation functions. Moreover, **re**setting neurons guided by **GraMa** (**ReGraMa**) consistently improves learning performance across multiple deep RL algorithms and benchmarks, such as MuJoCo and the DeepMind Control Suite. **We make our code available.**

Dynamic functional brain networks (DFBNs) are powerful tools in neuroscience research. Recent studies reveal that DFBNs contain heterogeneous neural nodes with more extensive connections and more drastic temporal changes, which play pivotal roles in coordinating the reorganization of the brain. Moreover, the spatio-temporal patterns of these nodes are modulated by the brain's historical states. However, existing methods not only ignore the spatio-temporal heterogeneity of neural nodes, but also fail to effectively encode the temporal propagation mechanism of heterogeneous activities. These limitations hinder the deep exploration of spatio-temporal relationships within DFBNs, preventing the capture of abnormal neural heterogeneity caused by brain diseases. To address these challenges, this paper propose a neuro-heterogeneity guided temporal graph learning strategy (NeuroH-TGL). Specifically, we first develop a spatio-temporal pattern decoupling module to disentangle DFBNs into topological consistency networks and temporal trend networks that align with the brain's operational mechanisms. Then, we introduce a heterogeneity mining module to identify pivotal heterogeneity nodes that drive brain reorganization from the two decoupled networks. Finally, we design temporal propagation graph convolution to simulate the influence of the historical states of heterogeneity nodes on the current topology, thereby flexibly extracting heterogeneous spatio-temporal information from the brain. Experiments show that our method surpasses several state-of-the-art methods, and can identify abnormal heterogeneous nodes caused by brain diseases.

We present DEPS, an end-to-end algorithm for discovering parameterized skills from expert demonstrations. Our method learns parameterized skill policies jointly with a meta-policy that selects the appropriate discrete skill and continuous parameters at each timestep. Using a combination of temporal variational inference and information-theoretic regularization methods, we address the challenge of degeneracy common in latent variable models, ensuring that the learned skills are temporally extended, semantically meaningful, and adaptable. We empirically show that learning parameterized skills from multitask expert demonstrations significantly improves generalization to unseen tasks. Our method outperforms multitask as well as skill learning baselines on both LIBERO and MetaWorld benchmarks. We also demonstrate that DEPS discovers interpretable parameterized skills, such as an object grasping skill whose continuous arguments define the grasp location.

While large language model (LLM) agents can effectively use external tools for complex real-world tasks, they require memory systems to leverage historical experiences. Current memory systems enable basic storage and retrieval but lack sophisticated memory organization, despite recent attempts to incorporate graph databases. Moreover, these systems' fixed operations and structures limit their adaptability across diverse tasks. To address this limitation, this paper proposes a novel agentic memory system for LLM agents that can dynamically organize memories in an agentic way. Following the basic principles of the Zettelkasten method, we designed our memory system to create interconnected knowledge networks through dynamic indexing and linking. When a new memory is added, we generate a comprehensive note containing multiple structured attributes, including contextual descriptions, keywords, and tags. The system then analyzes historical memories to identify relevant connections, establishing links where meaningful similarities exist. Additionally, this process enables memory evolution -- as new memories are integrated, they can trigger updates to the contextual representations and attributes of existing historical memories, allowing the memory network to continuously refine its understanding. Our approach combines the structured organization principles of Zettelkasten with the flexibility of agent-driven decision making, allowing for more adaptive and context-aware memory management. Empirical experiments on six foundation models show superior improvement against existing SOTA baselines. The code is available at \url{https://anonymous.4open.science/r/AgenticMemory-76B4}.