NeurIPS 2025 Papers

Computational cognitive models, which formalize theories of cognition, enable researchers to quantify cognitive processes and arbitrate between competing theories by fitting models to behavioral data. Traditionally, these models are handcrafted, which requires significant domain knowledge, coding expertise, and time investment. However, recent advances in machine learning offer solutions to these challenges. In particular, Large Language Models (LLMs) have demonstrated remarkable capabilities for in-context pattern recognition, leveraging knowledge from diverse domains to solve complex problems, and generating executable code that can be used to facilitate the generation of cognitive models. Building on this potential, we introduce a pipeline for Guided generation of Computational Cognitive Models (GeCCo). Given task instructions, participant data, and a template function, GeCCo prompts an LLM to propose candidate models, fits proposals to held-out data, and iteratively refines them based on feedback constructed from their predictive performance. We benchmark this approach across four different cognitive domains -- decision making, learning, planning, and memory -- using three open-source LLMs, spanning different model sizes, capacities, and families. On four human behavioral data sets, the LLM generated models that consistently matched or outperformed the best domain-specific models from the cognitive science literature. To validate these findings, we performed control experiments that investigated (1) the contribution of the different LLM features (model size, model family, capacities); (2) the causal role of different prompt components; (3) the effect of data contamination; (4) the ability to recover ground truth models from simulated data; and (5) the total explainable variance in human behavior captured by LLM-generated models. Taken together, our results suggest that LLMs can rapidly generate cognitive models with conceptually plausible theories that rival -- or even surpass -- the best models from the literature across diverse task domains.

Generating full-body human gestures encompassing face, body, hands, and global movements from audio is crucial yet challenging for virtual avatar creation. Existing systems tokenize gestures frame-wise, predicting tokens of each frame from the input audio. However, expressive human gestures consist of varied patterns with different frame lengths, and different body parts exhibit motion patterns of varying durations. Existing systems fail to capture motion patterns across body parts and temporal scales due to the fixed frame-count setting of their gesture tokens. Inspired by the success of the feature pyramid technique in the multi-scale visual information extraction, we propose a novel framework named PyraMotion and an adaptive multi-scale feature capturing model called Attentive Pyramidal VQ-VAE (APVQ-VAE). Objective and subjective experiments demonstrate that the PyraMotion outperforms state-of-the-art methods in terms of generating natural and expressive full-body human gestures. Extensive ablation experiments highlight that the self-adaptiveness integration through attention maps contributes to performance.

Adafactor is an early memory-efficient optimization algorithm proposed as an alternative to Adam. By eliminating first-order momentum and employing a rank-$1$ matrix factorization to approximate the second-moment matrix, Adafactor achieves near-zero memory overhead compared to traditional gradient descent methods. Despite its practical suitability for large-scale training tasks where memory efficiency is critical, its theoretical convergence analysis remains unexplored, largely due to the challenges posed by its matrix factorization and update clipping mechanisms. In this work, we provide a convergence analysis of Adafactor for non-convex smooth optimization. We establish optimal convergence rates (up to logarithmic factors) for finding stationary points in both deterministic and stochastic settings, the latter under sub-Gaussian noises. Central to our analysis involves viewing Adafactor as an approximation of Adam, and the use of a new proxy step-size to approximate the unique adaptive step-size induced by Adafactor's matrix factorization and update clipping, along with an induction argument to control the gradient magnitude. Our finding may theoretically suggest that involving rank-$1$ matrix approximation of the second-moment matrix in Adam does not fundamentally hinder the convergence.

Agents powered by large language models (LLMs) have demonstrated strong capabilities in a wide range of complex, real-world applications. However, LLM agents with a compromised memory bank may easily produce harmful outputs when the past records retrieved for demonstration are malicious. In this paper, we propose a novel Memory INJection Attack, MINJA, without assuming that the attacker can directly modify the memory bank of the agent. The attacker injects malicious records into the memory bank by only **interacting with the agent via queries and output observations**. These malicious records are designed to elicit a sequence of malicious reasoning steps corresponding to a different target query during the agent's execution of the victim user's query. Specifically, we introduce a sequence of *bridging steps* to link victim queries to the malicious reasoning steps. During the memory injection, we propose an *indication prompt* that guides the agent to autonomously generate similar bridging steps, with a *progressive shortening strategy* that gradually removes the indication prompt, such that the malicious record will be easily retrieved when processing later victim queries. Our extensive experiments across diverse agents demonstrate the effectiveness of MINJA in compromising agent memory. With minimal requirements for execution, MINJA enables any user to influence agent memory, highlighting the risk.

While visual autoregressive modeling (VAR) strategies have shed light on image generation with the autoregressive models, their potential for segmentation, a task that requires precise low-level spatial perception, remains unexplored. Inspired by the multi-scale modeling of classic Mask2Former-based models, we propose Seg-VAR, a novel framework that rethinks segmentation as a conditional autoregressive mask generation problem. This is achieved by replacing the discriminative learning with the latent learning process. Specifically, our method incorporates three core components: (1) an image encoder generating latent priors from input images, (2) a spatial-aware seglat (a latent expression of segmentation mask) encoder that maps segmentation masks into discrete latent tokens using a location-sensitive color mapping to distinguish instances, and (3) a decoder reconstructing masks from these latents. A multi-stage training strategy is introduced: first learning seglat representations via image-seglat joint training, then refining latent transformations, and finally aligning image-encoder-derived latents with seglat distributions. Experiments show Seg-VAR outperforms previous discriminative and generative methods on various segmentation tasks and validation benchmarks. By framing segmentation as a sequential hierarchical prediction task, Seg-VAR opens new avenues for integrating autoregressive reasoning into spatial-aware vision systems.

Despite their outstanding performance in numerous applications, large language models (LLMs) remain prone to hallucinations, generating content inconsistent with their pretraining corpora. Currently, almost all contrastive decoding approaches alleviate hallucinations by introducing a model susceptible to hallucinations and appropriately widening the contrastive logits gap between hallucinatory tokens and target tokens. However, although existing contrastive decoding methods mitigate hallucinations, they lack enough confidence in the factual accuracy of the generated content. In this work, we propose Multi-Model Contrastive Decoding (MCD), which integrates a pretrained language model with an evil model and a truthful model for contrastive decoding. Intuitively, a token is assigned a high probability only when deemed potentially hallucinatory by the evil model while being considered factual by the truthful model. This decoding strategy significantly enhances the model’s confidence in its generated responses and reduces potential hallucinations. Furthermore, we introduce a dynamic hallucination detection mechanism that facilitates token-by-token identification of hallucinations during generation and a tree-based revision mechanism to diminish hallucinations further. Extensive experimental evaluations demonstrate that our MCD strategy effectively reduces hallucinations in LLMs and outperforms state-of-the-art methods across various benchmarks.

Object concepts play a foundational role in human visual cognition, enabling perception, memory, and interaction in the physical world. Inspired by findings in developmental psychology—where infants are shown to acquire object understanding through observation of motion—we propose a biologically inspired framework for learning object-centric visual representations in an unsupervised manner. We were inspired by the insight that motion boundary serves as a strong signal for object-level grouping, which can be used to derive pseudo-instance supervision from raw videos. Concretely, we generate motion-based instance masks using off-the-shelf optical flow and clustering algorithms, and use them to train visual encoders via contrastive learning. Our framework is fully label-free and does not rely on camera calibration, making it scalable to large-scale unstructured video data. We evaluate our approach on three downstream tasks spanning both low-level (monocular depth estimation) and high-level (3D object detection and occupancy prediction) vision. Our models outperform previous supervised and self-supervised baselines and demonstrate strong generalization to unseen scenes. These results suggest that motion-induced object representations offer a compelling alternative to existing vision foundation models, capturing a crucial but overlooked level of abstraction: the visual instance. The implementation can be found here: https://github.com/yulemao/Object_Concepts_Emerge_from_Motion

The quadratic complexity of the attention mechanism in Transformer models has motivated the development of alternative architectures with sub-quadratic scaling, such as state-space models. Among these, Mamba has emerged as a leading architecture, achieving state-of-the-art results across a range of language modeling tasks. However, Mamba’s performance significantly deteriorates when applied to contexts longer than those seen during pre-training, revealing a sharp sensitivity to context length extension. Through detailed analysis, we attribute this limitation to the out-of-distribution behavior of its state-space dynamics, particularly within the parameterization of the state transition matrix $A$. Unlike recent works which attribute this sensitivity to the vanished accumulation of discretization time steps, $\exp(-\sum_{t=1}^N{\Delta}_t)$, we establish a connection between state convergence behavior as the input length approaches infinity and the spectrum of the transition matrix $A$, offering a well-founded explanation of its role in length extension. Next, to overcome this challenge, we propose an approach that applies spectrum scaling to pre-trained Mamba models to enable robust long-context generalization by selectively modulating the spectrum of $A$ matrices in each layer. We show that this can significantly improve performance in settings where simply modulating ${\Delta}_t$ fails, validating our insights and providing avenues for better length generalization of state-space models with structured transition matrices.

Understanding the behavior of deep reinforcement learning (DRL) agents—particularly as task and agent sophistication increase—requires more than simple comparison of reward curves, yet standard methods for behavioral analysis remain underdeveloped in DRL. We apply tools from neuroscience and ethology to study DRL agents in a novel, complex, partially observable environment, ForageWorld, designed to capture key aspects of real-world animal foraging—including sparse, depleting resource patches, predator threats, and spatially extended arenas. We use this environment as a platform for applying joint behavioral and neural analysis to agents, revealing detailed, quantitatively grounded insights into agent strategies, memory, and planning. Contrary to common assumptions, we find that model-free RNN-based DRL agents can exhibit structured, planning-like behavior purely through emergent dynamics—without requiring explicit memory modules or world models. Our results show that studying DRL agents like animals—analyzing them with neuroethology-inspired tools that reveal structure in both behavior and neural dynamics—uncovers rich structure in their learning dynamics that would otherwise remain invisible. We distill these tools into a general analysis framework linking core behavioral and representational features to diagnostic methods, which can be reused for a wide range of tasks and agents. As agents grow more complex and autonomous, bridging neuroscience, cognitive science, and AI will be essential—not just for understanding their behavior, but for ensuring safe alignment and maximizing desirable behaviors that are hard to measure via reward. We show how this can be done by drawing on lessons from how biological intelligence is studied.

A curious phenomenon observed in some dynamical generative models is the following: despite learning errors in the score function or the drift vector field, the generated samples appear to shift \emph{along} the support of the data distribution but not \emph{away} from it. In this work, we investigate this phenomenon of \emph{robustness of the support} by taking a dynamical systems approach on the generating stochastic/deterministic process. Our perturbation analysis of the probability flow reveals that infinitesimal learning errors cause the predicted density to be different from the target density only on the data manifold for a wide class of generative models. Further, what is the dynamical mechanism that leads to the robustness of the support? We show that the alignment of the top Lyapunov vectors (most sensitive infinitesimal perturbation directions) with the tangent spaces along the boundary of the data manifold leads to robustness and prove a sufficient condition on the dynamics of the generating process to achieve this alignment. Moreover, the alignment condition is efficient to compute and, in practice, for robust generative models, automatically leads to accurate estimates of the tangent bundle of the data manifold. Using a finite-time linear perturbation analysis on samples paths as well as probability flows, our work complements and extends existing works on obtaining theoretical guarantees for generative models from a stochastic analysis, statistical learning and uncertainty quantification points of view. Our results apply across different dynamical generative models, such as conditional flow-matching and score-based generative models, and for different target distributions that may or may not satisfy the manifold hypothesis.

Learning from self-sampled data and sparse environmental feedback remains a fundamental challenge in training self-evolving agents. Temporal credit assignment mitigates this issue by transforming sparse feedback into dense supervision signals. However, previous approaches typically depend on domain-specific value functions for credit assignment, which suffer from poor sample efficiency and limited generalization. In this work, we propose to leverage pre-trained knowledge from large language models (LLMs) to transform sparse rewards into dense training signals (i.e., the advantage function) through retrospective in-context learning (RICL). We further propose an online learning framework, RICOL, which iteratively refines the policy based on the credit assignment results from RICL. We empirically demonstrate that RICL can accurately estimate the advantage function with limited samples and effectively identify critical states for temporal credit assignment. Extended evaluation on the BabyAI benchmark shows that RICOL significantly improves sample efficiency compared to traditional online RL algorithms while achieving performance comparable to imitation learning from expert demonstartions. Our findings highlight the potential of leveraging LLMs for temporal credit assignment, paving the way for more sample-efficient and generalizable RL paradigms.

We develop hybrid memory architectures for general-purpose sequence processing neural networks, that combine key-value memory using softmax attention (KV-memory) with fast weight memory through dynamic synaptic modulation (FW-memory)---the core principles of quadratic and linear transformers, respectively. These two memory systems have complementary but individually limited properties: KV-memory offers precise retrieval but is constrained by quadratic complexity in sequence length, while FW-memory supports arbitrarily long sequences and enables more expressive computation but sacrifices precise recall. We propose and compare three methods to blend these two systems into a single memory system, differing in how and when input information is delivered to each system, to leverage the strengths of both. We conduct experiments on general language modeling and retrieval tasks by training 340M- and 1.3B-parameter models from scratch, as well as on synthetic algorithmic tasks designed to precisely illustrate the benefits of certain hybrid methods over others. We also evaluate our hybrid memory systems on reinforcement learning in partially observable environments. Overall, we demonstrate how a well-designed hybrid can overcome the limitations of its individual components, offering new insights into the design principle of neural memory systems.

Pseudo label based semi-supervised learning (SSL) for single-label and multi-label classification tasks has been extensively studied; however, semi-supervised label distribution learning (SSLDL) remains a largely unexplored area. Existing SSL methods fail in SSLDL because the pseudo-labels they generate only ensure overall similarity to the ground truth but do not preserve the ranking relationships between true labels, as they rely solely on KL divergence as the loss function during training. These skewed pseudo-labels lead the model to learn incorrect semantic relationships, resulting in reduced performance accuracy. To address these issues, we propose a novel SSLDL method called \textit{RankMatch}. \textit{RankMatch} fully considers the ranking relationships between different labels during the training phase with labeled data to generate higher-quality pseudo-labels. Furthermore, our key observation is that a flexible utilization of pseudo-labels can enhance SSLDL performance. Specifically, focusing solely on the ranking relationships between labels while disregarding their margins helps prevent model overfitting. Theoretically, we prove that incorporating ranking correlations enhances SSLDL performance and establish generalization error bounds for \textit{RankMatch}. Finally, extensive real-world experiments validate its effectiveness.

We present Genesis, a unified world model for joint generation of multi-view driving videos and LiDAR sequences with spatio-temporal and cross-modal consistency. Genesis employs a two-stage architecture that integrates a DiT-based video diffusion model with 3D-VAE encoding, and a BEV-represented LiDAR generator with NeRF-based rendering and adaptive sampling. Both modalities are directly coupled through a shared condition input, enabling coherent evolution across visual and geometric domains. To guide the generation with structured semantics, we introduce DataCrafter, a captioning module built on vision-language models that provides scene-level and instance-level captions. Extensive experiments on the nuScenes benchmark demonstrate that Genesis achieves state-of-the-art performance across video and LiDAR metrics (FVD 16.95, FID 4.24, Chamfer 0.611), and benefits downstream tasks including segmentation and 3D detection, validating the semantic fidelity and practical utility of the synthetic data.

We study the problem of regression with interval targets, where only upper and lower bounds on target values are available in the form of intervals. This problem arises when the exact target label is expensive or impossible to obtain, due to inherent uncertainties. In the absence of exact targets, traditional regression loss functions cannot be used. First, we study the methodology of using a loss functions compatible with interval targets, for which we establish non-asymptotic generalization bounds based on smoothness of the hypothesis class that significantly relaxing prior assumptions of realizability and small ambiguity degree. Second, we propose a novel min-max learning formulation: minimize against the worst-case (maximized) target labels within the provided intervals. The maximization problem in the latter is non-convex, but we show that good performance can be achieved with the incorporation of smoothness constraints. Finally, we perform extensive experiments on real-world datasets and show that our methods achieve state-of-the-art performance.

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the new task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent literature show that our method consistently outperforms strong baselines.

Detecting objects in 3D space from monocular input is crucial for applications ranging from robotics to scene understanding. Despite advanced performance in the indoor and autonomous driving domains, existing monocular 3D detection models struggle with in-the-wild images due to the lack of 3D in-the-wild datasets and the challenges of 3D annotation. We introduce LabelAny3D, an analysis-by-synthesis framework that reconstructs holistic 3D scenes from 2D images to efficiently produce high-quality 3D bounding box annotations. Built on this pipeline, we present COCO3D, a new benchmark for open-vocabulary monocular 3D detection, derived from the MS-COCO dataset and covering a wide range of object categories absent from existing 3D datasets. Experiments show that annotations generated by LabelAny3D improve monocular 3D detection performance across multiple benchmarks, outperforming prior auto-labeling approaches in quality. These results demonstrate the promise of foundation-model-driven annotation for scaling up 3D recognition in realistic, open-world settings.

Large Language Models (LLMs) and Foundation Models (FMs) have recently become prevalent for time series forecasting tasks. While fine-tuning LLMs enables domain adaptation, they often struggle to generalize across diverse and unseen datasets. Moreover, existing Time Series Foundation Models (TSFMs) still face challenges in handling non-stationary dynamics and distribution shifts, largely due to the lack of effective mechanisms for adaptation. To this end, we present TS-RAG, a retrieval-augmented generation framework for time series forecasting that enhances the generalization and interpretability of TSFMs. Specifically, TS-RAG leverages pre-trained time series encoders to retrieve semantically relevant segments from a dedicated knowledge base, enriching the contextual representation of the input query. Furthermore, we propose an Adaptive Retrieval Mixer (ARM) module that dynamically fuses the retrieved patterns with the TSFM's internal representation, improving forecasting accuracy without requiring task-specific fine-tuning. Thorough empirical studies on seven public benchmark datasets demonstrate that TS-RAG achieves state-of-the-art zero-shot forecasting performance, outperforming the existing TSFMs by up to 6.84\% across diverse domains while also providing desirable interpretability. Our code and data are available at: https://github.com/UConn-DSIS/TS-RAG.

Training Transformer models on long sequences in a distributed setting poses significant challenges in terms of efficiency and scalability. Current methods are either constrained by the number of attention heads or excessive communication overheads. To address this problem, we propose StarTrail, a multi-dimensional concentric distributed training system for long sequences, fostering an efficient communication paradigm and providing additional tuning flexibility for communication arrangements. Specifically, StarTrail introduces an extra parallel dimension and divides the peer-to-peer communication into sub-rings to substantially reduce communication volume and avoid bandwidth bottlenecks. Through comprehensive experiments across diverse hardware environments and on both Natural Language Processing (NLP) and Computer Vision (CV) tasks, we demonstrate that our approach significantly surpasses state-of-the-art methods that support Long sequence lengths, achieving performance improvements of up to 77.12% on GPT-style models and up to 114.33% on DiT (Diffusion Transformer) models without affecting the computations results.