NeurIPS 2025 Papers

Speech is a fundamental form of human communication, and speech perception constitutes the initial stage of language comprehension. Although brain-to-speech interface technologies have made significant progress in recent years, most existing studies focus on neural decoding during speech production. Such approaches heavily rely on articulatory motor regions, rendering them unsuitable for individuals with speech motor impairments, such as those with aphasia or locked-in syndrome. To address this limitation, we construct and release NeuroListen, the first publicly available stereo-electroencephalography (sEEG) dataset specifically designed for auditory reconstruction. It contains over 10 hours of neural–speech paired recordings from 5 clinical participants, covering a wide range of semantic categories. Building on this dataset, we propose HyperSpeech, a multi-band neural decoding framework that employs dynamic spatio-temporal hypergraph neural networks to capture high-order dependencies across frequency, spatial, and temporal dimensions. Experimental results demonstrate that HyperSpeech significantly outperforms existing methods across multiple objective speech quality metrics, and achieves superior performance in human subjective evaluations, validating its effectiveness and advancement. This study provides a dedicated dataset and modeling framework for auditory speech decoding, offering foundations for neural language processing and assistive communication systems.

We address the challenge of Small Object Image Retrieval (SoIR), where the goal is to retrieve images containing a specific small object, in a cluttered scene. The key challenge in this setting is constructing a single image descriptor, for scalable and efficient search, that effectively represents all objects in the image. In this paper, we first analyze the limitations of existing methods on this challenging task and then introduce new benchmarks to support SoIR evaluation. Next, we introduce \ours (\oursMI), a novel retrieval framework which incorporates a dedicated multi-object pre-training phase. This is followed by a refinement process that leverages attention-based feature extraction with object masks, integrating them into a single unified image descriptor. Our \oursMI approach significantly outperforms existing retrieval methods and strong baselines, achieving notable improvements in both zero-shot and lightweight multi-object fine-tuning. We hope this work will pave the way and inspire further research to enhance retrieval performance for this highly practical task.

Text-to-image (T2I) diffusion/flow models have drawn considerable attention recently due to their remarkable ability to deliver flexible visual creations. Still, high-resolution image synthesis presents formidable challenges due to the scarcity and complexity of high-resolution content. Recent approaches have investigated training-free strategies to enable high-resolution image synthesis with pre-trained models. However, these techniques often struggle with generating high-quality visuals and tend to exhibit artifacts or low-fidelity details, as they typically rely solely on the endpoint of the low-resolution sampling trajectory while neglecting intermediate states that are critical for preserving structure and synthesizing finer detail. To this end, we present HiFlow, a training-free and model-agnostic framework to unlock the resolution potential of pre-trained flow models. Specifically, HiFlow establishes a virtual reference flow within the high-resolution space that effectively captures the characteristics of low-resolution flow information, offering guidance for high-resolution generation through three key aspects: initialization alignment for low-frequency consistency, direction alignment for structure preservation, and acceleration alignment for detail fidelity. By leveraging such flow-aligned guidance, HiFlow substantially elevates the quality of high-resolution image synthesis of T2I models and demonstrates versatility across their personalized variants. Extensive experiments validate HiFlow's capability in achieving superior high-resolution image quality over state-of-the-art methods.

REPA and its variants effectively mitigate training challenges in diffusion models by incorporating external visual representations from pretrained models, through alignment between the noisy hidden projections of denoising networks and foundational clean image representations. We argue that the external alignment, which is absent during the entire denoising inference process, falls short of fully harnessing the potential of discriminative representations. In this work, we propose a straightforward method called \textit{\textbf{R}epresentation \textbf{E}ntanglement for \textbf{G}eneration} (\textbf{REG}), which entangles low-level image latents with a single high-level class token from pretrained foundation models for denoising. REG acquires the capability to produce coherent image-class pairs directly from pure noise, substantially improving both generation quality and training efficiency. This is accomplished with negligible additional inference overhead, requiring only one single additional token for denoising (<0.5\% increase in FLOPs and latency). The inference process concurrently reconstructs both image latents and their corresponding global semantics, where the acquired semantic knowledge actively guides and enhances the image generation process. On ImageNet 256$\times$256, SiT-XL/2 + REG demonstrates remarkable convergence acceleration, achieving $\textbf{63}\times$ and $\textbf{23}\times$ faster training than SiT-XL/2 and SiT-XL/2 + REPA, respectively. More impressively, SiT-L/2 + REG trained for merely 400K iterations outperforms SiT-XL/2 + REPA trained for 4M iterations ($\textbf{10}\times$ longer). Code is available at: https://github.com/Martinser/REG.

Recurrent neural networks (RNNs) provide a powerful approach in neuroscience to infer latent dynamics in neural populations and to generate hypotheses about the neural computations underlying behavior. However, past work has focused on relatively simple, input-driven, and largely deterministic behaviors - little is known about the mechanisms that would allow RNNs to generate the richer, spontaneous, and potentially stochastic behaviors observed in natural settings. Modeling with Hidden Markov Models (HMMs) has revealed a segmentation of natural behaviors into discrete latent states with stochastic transitions between them, a type of dynamics that may appear at odds with the continuous state spaces implemented by RNNs. Here we first show that RNNs can replicate HMM emission statistics and then reverse-engineer the trained networks to uncover the mechanisms they implement. In the absence of inputs, the activity of trained RNNs collapses towards a single fixed point. When driven by stochastic input, trajectories instead exhibit noise-sustained dynamics along closed orbits. Rotation along these orbits modulates the emission probabilities and is governed by transitions between regions of slow, noise-driven dynamics connected by fast, deterministic transitions. The trained RNNs develop highly structured connectivity, with a small set of “kick neurons” initiating transitions between these regions. This mechanism emerges during training as the network shifts into a regime of stochastic resonance, enabling it to perform probabilistic computations. Analyses across multiple HMM architectures — fully connected, cyclic, and linear-chain — reveal that this solution generalizes through the modular reuse of the same dynamical motif, suggesting a compositional principle by which RNNs can emulate complex discrete latent dynamics.

Although Multimodal Large Language Models (MLLMs) have demonstrated remarkable achievements in recent years, they remain vulnerable to adversarial examples that result in harmful responses. Existing attacks typically focus on optimizing adversarial perturbations for a certain multimodal image-prompt pair or fixed training dataset, which often leads to overfitting. Consequently, these perturbations fail to remain malicious once transferred to attack unseen image-prompt pairs, suffering from significant resource costs to cover the diverse multimodal inputs in complicated real-world scenarios. To alleviate this issue, this paper proposes a novel adversarial attack on MLLMs based on distribution approximation theory, which models the potential image-prompt input distribution and adds the same distribution-fitting adversarial perturbation on multimodal input pairs to achieve effective cross-image/prompt transfer attacks. Specifically, we exploit the Laplace approximation to model the Gaussian distribution of the image and prompt inputs for the MLLM, deriving an estimate of the mean and covariance parameters. By sampling from this approximated distribution with Monte Carlo mechanism, we efficiently optimize and fit a single input‑agnostic perturbation over diverse image‑prompt pairs, yielding strong universality and transferability. Extensive experiments are conducted to verify the strong adversarial capabilities of our proposed attack against prevalent MLLMs spanning a spectrum of images/prompts.

While spatial reasoning has made progress in object localization relationships, it often overlooks object orientation—a key factor in 6-DoF fine-grained manipulation. Traditional pose representations rely on pre-defined frames or templates, limiting generalization and semantic grounding. In this paper, we introduce the concept of semantic orientation, which defines object orientations using natural language in a reference-frame-free manner (e.g., the ''plug-in'' direction of a USB or the ''handle'' direction of a cup). To support this, we construct OrienText300K, a large-scale dataset of 3D objects annotated with semantic orientations, and develop PointSO, a general model for zero-shot semantic orientation prediction. By integrating semantic orientation into VLM agents, our SoFar framework enables 6-DoF spatial reasoning and generates robotic actions. Extensive experiments demonstrated the effectiveness and generalization of our SoFar, e.g., zero-shot 48.7\% successful rate on Open6DOR and zero-shot 74.9\% successful rate on SIMPLER-Env.

Eliciting reliable human feedback is essential for many machine learning tasks, such as learning from noisy labels and aligning AI systems with human preferences. Peer prediction mechanisms incentivize truthful reporting without ground truth verification by scoring agents based on correlations with peers. Traditional mechanisms, which ensure that truth-telling maximizes the \textbf{expected scores} in equilibrium, can elicit honest information while assuming agents' utilities are \textbf{linear functions} of their scores. However, in practice, non-linear payment rules are usually preferred, or agents' utilities are inherently non-linear. We propose \emph{stochastically dominant truthfulness (SD-truthfulness)} as a stronger guarantee: the score distribution of truth-telling stochastically dominates all other strategies, incentivizing truthful reporting for a wide range of monotone utility functions. Our first observation is that no existing peer prediction mechanism naturally satisfies this criterion without strong assumptions. A simple solution - rounding scores into binary lotteries — can enforce SD-truthfulness, but often degrades \emph{sensitivity}, a key property related to fairness and statistical efficiency. We demonstrate how a more careful application of rounding can better preserve sensitivity. Furthermore, we introduce a new enforced agreement (EA) mechanism that is theoretically guaranteed to be SD-truthful in binary-signal settings and, under mild assumptions, empirically achieves the highest sensitivity among all known SD-truthful mechanisms.

Key-value (KV) cache compression has emerged as a critical technique for reducing the memory and latency overhead of autoregressive language models during inference. Prior approaches predominantly rely on query-key attention scores to rank and evict cached tokens, assuming that attention intensity correlates with semantic importance. However, this heuristic overlooks the contribution of value vectors, which directly influence the attention output. In this paper, we propose CurDKV, a novel, value-centric KV compression method that selects keys and values based on leverage scores computed from CUR matrix decomposition. Our approach approximates the dominant subspace of the attention output $\mathrm{softmax}(QK^\top)V$, ensuring that the retained tokens best preserve the model’s predictive behavior. Theoretically, we show that attention score approximation does not guarantee output preservation, and demonstrate that CUR-based selection minimizes end-to-end attention reconstruction loss. Empirically, CurDKV achieves up to $9.6$\% higher accuracy than state-of-the-art methods like SnapKV and ChunkKV under aggressive compression budgets on LLaMA and Mistral, while maintaining compatibility with FlashAttention and Grouped Query Attention. In addition to improved accuracy, CurDKV reduces generation latency by up to 40\% at high compression, offering a practical speed-accuracy tradeoff.

Mobile agents rely on Large Language Models (LLMs) to plan and execute tasks on smartphone user interfaces (UIs). While cloud-based LLMs achieve high task accuracy, they require uploading the full UI state at every step, exposing unnecessary and often irrelevant information. In contrast, local LLMs avoid UI uploads but suffer from limited capacity, resulting in lower task success rates. We propose $\textbf{CORE}$, a $\textbf{CO}$llaborative framework that combines the strengths of cloud and local LLMs to $\textbf{R}$educe UI $\textbf{E}$xposure, while maintaining task accuracy for mobile agents. CORE comprises three key components: (1) $\textbf{Layout-aware block partitioning}$, which groups semantically related UI elements based on the XML screen hierarchy; (2) $\textbf{Co-planning}$, where local and cloud LLMs collaboratively identify the current sub-task; and (3) $\textbf{Co-decision-making}$, where the local LLM ranks relevant UI blocks, and the cloud LLM selects specific UI elements within the top-ranked block. CORE further introduces a multi-round accumulation mechanism to mitigate local misjudgment or limited context. Experiments across diverse mobile apps and tasks show that CORE reduces UI exposure by up to 55.6\% while maintaining task success rates slightly below cloud-only agents, effectively mitigating unnecessary privacy exposure to the cloud. The code is available at https://github.com/Entropy-Fighter/CORE.

Brain disorders have been consistently associated with abnormalities in specific brain regions or neural circuits. Identifying key brain regional activities and functional connectivity patterns is essential for discovering more precise neurobiological biomarkers. However, previous studies have primarily emphasized alterations in functional connectivity while overlooking abnormal neuronal population activity within brain regions. To bridge this gap, we propose a novel Local-Global Coupling Spiking Graph Transformer (LGC-SGT) that jointly models both inter-regional connectivity differences and deviations in neuronal population firing rates within brain regions, enabling a dual-perspective neuropathological analysis. The global pathway leverages spike-based computation in LGC-SGT to model biologically plausible aberrant neural firing dynamics, while the local pathway adaptively captures abnormal graph-based representations of brain connectivity learned by local plasticity in the liquid state machine module. Furthermore, we design a shortcut-enhanced output strategy in LGC-SGT with the hybrid loss function to suppress outlier interference caused by inter-individual and inter-center variability, enabling a more robust decision boundary. Extensive experiments on three brain disorder datasets demonstrate that our model consistently outperforms state-of-the-art graph methods in brain disorder diagnosis. Moreover, it facilitates the extraction of interpretable neurobiological biomarkers by jointly analyzing regional neural activity and functional connectivity, offering a more comprehensive framework for brain disorder understanding and diagnosis.

Scaling models has led to significant advancements in deep learning, but training these models in decentralized settings remains challenging due to communication bottlenecks. While existing compression techniques are effective in data-parallel, they do not extend to model parallelism. Unlike data-parallel training, where weight gradients are exchanged, model-parallel requires compressing activations and activation gradients as they propagate through layers, accumulating compression errors. We propose a novel compression algorithm that compresses both forward and backward passes, enabling up to 99% compression with no convergence degradation with negligible memory/compute overhead. By leveraging a recursive structure in transformer networks, we predefine a low-dimensional subspace to confine the activations and gradients, allowing full reconstruction in subsequent layers. Our method achieves up to 100x improvement in communication efficiency and enables training billion-parameter-scale models over low-end GPUs connected via consumer-grade internet speeds as low as 80Mbps, matching the convergence of centralized datacenter systems with 100Gbps connections with model parallel.

Human safety awareness gaps often prevent the timely recognition of everyday risks. In solving this problem, a proactive safety artificial intelligence (AI) system would work better than a reactive one. Instead of just reacting to users' questions, it would actively watch people’s behavior and their environment to detect potential dangers in advance. Our Proactive Safety Bench (PaSBench) evaluates this capability through 416 multimodal scenarios (128 image sequences, 288 text logs) spanning 5 safety-critical domains. Evaluation of 36 advanced models reveals fundamental limitations: Top performers like Gemini-2.5-pro achieve 71\% image and 64\% text accuracy, but miss 45-55\% risks in repeated trials. Through failure analysis, we identify unstable proactive reasoning rather than knowledge deficits as the primary limitation. This work establishes (1) a proactive safety benchmark, (2) systematic evidence of model limitations, and (3) critical directions for developing reliable protective AI. We believe our dataset and findings can promote the development of safer AI assistants that actively prevent harm rather than merely respond to requests.

Pre-training equips text-to-image (T2I) models with broad world knowledge, but this alone is often insufficient to achieve high aesthetic quality and alignment. Consequently, supervised fine-tuning (SFT) is crucial for further refinement. However, its effectiveness highly depends on the quality of the fine-tuning dataset. Existing public SFT datasets frequently target narrow domains (e.g., anime or specific art styles), and the creation of high-quality, general-purpose SFT datasets remains a significant challenge. Current curation methods are often costly and struggle to identify truly impactful samples. This challenge is further complicated by the scarcity of public general-purpose datasets, as leading models often rely on large, proprietary, and poorly documented internal data, hindering broader research progress. This paper introduces a novel methodology for creating general-purpose SFT datasets by leveraging a pre-trained generative model as an estimator of high-impact training samples. We apply this methodology to construct and release Alchemist, a compact (3,350 samples) yet highly effective SFT dataset. Experiments demonstrate that Alchemist substantially improves the generative quality of five public T2I models while preserving diversity and style. Additionally, we release the fine-tuned models' weights to the public.

Benefiting from high capacity for capturing complex temporal patterns, deep learning (DL) has significantly advanced time series forecasting (TSF). However, deep models tend to suffer from severe overfitting due to the inherent vulnerability of time series to noise and anomalies. The prevailing DL paradigm uniformly optimizes all timesteps through the MSE loss and learns those uncertain and anomalous timesteps without difference, ultimately resulting in overfitting. To address this, we propose a novel selective learning strategy for deep TSF. Specifically, selective learning screens a subset of the whole timesteps to calculate the MSE loss in optimization, guiding the model to focus on generalizable timesteps while disregarding non-generalizable ones. Our framework introduces a dual-mask mechanism to target timesteps: (1) an uncertainty mask leveraging residual entropy to filter uncertain timesteps, and (2) an anomaly mask employing residual lower bound estimation to exclude anomalous timesteps. Extensive experiments across eight real-world datasets demonstrate that selective learning can significantly improve the predictive performance for typical state-of-the-art deep models, including 37.4% MSE reduction for Informer, 8.4% for TimesNet, and 6.5% for iTransformer.

We present causal head gating (CHG), a scalable method for interpreting the functional roles of attention heads in transformer models. CHG learns soft gates over heads and assigns them a causal taxonomy—facilitating, interfering, or irrelevant—based on their impact on task performance. Unlike prior approaches in mechanistic interpretability, which are hypothesis-driven and require prompt templates or target labels, CHG applies directly to any dataset using standard next-token prediction. We evaluate CHG across multiple large language models (LLMs) in the Llama 3 model family and diverse tasks, including syntax, commonsense, and mathematical reasoning, and show that CHG scores yield causal, not merely correlational, insight validated via ablation and causal mediation analyses. We also introduce contrastive CHG, a variant that isolates sub-circuits for specific task components. Our findings reveal that LLMs contain multiple sparse task-sufficient sub-circuits, that individual head roles depend on interactions with others (low modularity), and that instruction following and in-context learning rely on separable mechanisms.

Molecular representation learning has emerged as a promising approach for modeling molecules with deep learning in chemistry and beyond. While 3D geometric models effectively capture molecular structure, they typically process single static conformers, overlooking the inherent flexibility and dynamics of molecules. In reality, many molecular properties depend on distributions of thermodynamically accessible conformations rather than single structures. Recent works show that learning from conformer ensembles can improve molecular representations, but existing approaches either produce unphysical structures through averaging or require restrictive molecular alignment. In this paper, we propose SymmetryPreserving Conformer Ensemble networks (SPiCE), which introduces two key innovations: (1) geometric mixture-of-experts for selective processing of scalar and vector features, and (2) hierarchical ensemble encoding that combines ensemblelevel representation with cross-conformer integration. Crucially, SPiCE ensures physically meaningful representations by maintaining joint equivariance to geometric transformations of individual conformers and conformer permutations. Extensive experiments demonstrate that SPiCE consistently outperforms existing conformer ensemble methods and state-of-the-art structural aggregation models across quantum mechanical and biological property prediction tasks.

Risk-averse modeling is critical in safety-sensitive and high-stakes applications. Conditional Value-at-Risk (CVaR) quantifies such risk by measuring the expected loss in the tail of the loss distribution, and minimizing it provides a principled framework for training robust models. However, direct CVaR minimization remains challenging due to the difficulty of accurately estimating rare, high-loss events—particularly at extreme quantiles. In this work, we propose a novel training framework that synthesizes informative samples for CVaR optimization using score-based generative models. Specifically, we guide a diffusion-based generative model to sample from a reweighted distribution that emphasizes inputs likely to incur high loss under a pretrained reference model. These samples are then incorporated via a loss-weighted importance sampling scheme to reduce noise in stochastic optimization. We establish convergence guarantees and show that the synthesized, high-loss-emphasized dataset substantially contributes to the noise reduction. Empirically, we validate the effectiveness of our approach across multiple settings, including a real-world wireless channel compression task, where our method achieves significant improvements over standard risk minimization strategies.

The recent success of Shampoo in the AlgoPerf contest has sparked renewed interest in Kronecker-factorization-based optimization algorithms for training neural networks. Despite its success, Shampoo relies heavily on several heuristics such as learning rate grafting and stale preconditioning to achieve performance at-scale. These heuristics increase algorithmic complexity, necessitate further hyperparameter tuning, and lack theoretical justification. This paper investigates these heuristics from the angle of Frobenius norm approximation to full-matrix Adam and decouples the preconditioner's eigenvalues and eigenbasis updates. We show that grafting from Adam mitigates the staleness and mis-scaling of the preconditioner's *eigenvalues* and how correcting the eigenvalues directly eliminates the need for learning rate grafting. To manage the error induced by infrequent *eigenbasis* computations, we propose an adaptive criterion for determining the eigenbasis computation frequency motivated by terminating a warm-started QR algorithm. This criterion decouples the update frequency of different preconditioner matrices and enables us to investigate the impact of approximation error on convergence. These practical techniques offer a principled angle towards removing Shampoo's heuristics and developing improved Kronecker-factorization-based training algorithms.