NeurIPS 2025 Papers

Network traffic classification is essential for network management and security. In recent years, deep learning (DL) algorithms have emerged as essential tools for classifying complex traffic. However, they rely heavily on high-quality labeled training data. In practice, traffic data is often noisy due to human error or inaccurate automated labeling, which could render classification unreliable and lead to severe consequences. Although some studies have alleviated the label noise issue in specific scenarios, they are difficult to generalize to general traffic classification tasks due to the inherent semantic complexity of traffic data. In this paper, we propose FlowRefiner, a robust and general traffic classification framework against label noise. FlowRefiner consists of three core components: a traffic semantics-driven noise detector, a confidence-guided label correction mechanism, and a cross-granularity robust classifier. First, the noise detector utilizes traffic semantics extracted from a pre-trained encoder to identify mislabeled flows. Next, the confidence-guided label correction module fine-tunes a label predictor to correct noisy labels and construct refined flows. Finally, the cross-granularity robust classifier learns generalized patterns of both flow-level and packet-level, improving classification robustness against noisy labels. We evaluate our method on four traffic datasets with various classification scenarios across varying noise ratios. Experimental results demonstrate that FlowRefiner mitigates the impact of label noise and consistently outperforms state-of-the-art baselines by a large margin. The code is available at https://github.com/NSSL-SJTU/FlowRefiner.

We study a relaxation of the problem of coupling probability distributions — a list of samples is generated from one distribution and an *accept* is declared if any one of these samples is identical to the sample generated from the other distribution. We propose a novel method for generating samples, which extends the Gumbel-max sampling suggested in Daliri et al. (2025) for coupling probability distributions. We also establish a corresponding lower bound on the acceptance probability, which we call the \emph{list matching lemma}. We next discuss two applications of our setup. First, we develop a new mechanism for multi-draft speculative sampling that is simple to implement and achieves performance competitive with baselines such as SpecTr and SpecInfer across a range of language tasks. Our method also guarantees a certain degree of *drafter invariance* with respect to the output tokens which is not supported by existing schemes. We also provide a theoretical lower bound on the token level acceptance probability. As our second application, we consider distributed lossy compression with side information in a setting where a source sample is compressed and available to multiple decoders, each with independent side information. We propose a compression technique that is based on our generalization of Gumbel-max sampling and show that it provides significant gains in experiments involving synthetic Gaussian sources and the MNIST image dataset.

Inferring synaptic connectivity from neural population activity is a fundamental challenge in computational neuroscience, complicated by partial observability and mismatches between inference models and true circuit dynamics. In this study, we propose a graph-based neural inference model that simultaneously predicts neural activity and infers latent connectivity by modeling neurons as interacting nodes in a graph. The architecture features two distinct modules: one for learning structural connectivity and another for predicting future spiking activity via a graph neural network (GNN). Our model accommodates unobserved neurons through auxiliary nodes, allowing for inference in partially observed circuits. We evaluate this approach using synthetic data generated from ring attractor network models and real spike recordings from head direction cells in mice. Across a wide range of conditions, including varying recurrent connectivity, external inputs, and incomplete observations, our model reliably resolves spurious correlations and recovers accurate weight profiles. When applied to real data, the inferred connectivity aligns with theoretical predictions of continuous attractor models. These results highlight the potential of GNN-based models to infer latent neural circuitry through self-supervised structure learning, while leveraging the spike prediction task to flexibly link connectivity and dynamics across both simulated and biological neural systems.

Heterogeneous federated learning enables collaborative training across clients under dual heterogeneity of models and data, posing challenges for effective knowledge transfer. Federated mutual learning employs proxy models to bridge cross-model knowledge exchange; however, existing methods remain limited to direct alignment between the outputs of private and proxy models, ignoring the deep discrepancies in representation and decision spaces between them. Such cognitive biases cause knowledge to be transferred only at shallow levels and trigger performance bottlenecks. To address this, this paper proposes FedKWAZ to identify and exploit Knowledge Weak-Aware Zones (KWAZ)—spatial zones of deep knowledge misalignment between private and proxy models, further refined into Semantic Weak-Aware Zones and Decision Weak-Aware Zones, which characterize cognitive misalignments in representation and decision spaces as focal targets for enhanced bidirectional distillation. FedKWAZ designs a Hierarchical Adaptive Patch Mixing (HAPM) mechanism to generate multiple mixed samples and employs a Knowledge Discrepancy Perceptron (KDP) to select the samples exhibiting the largest representation and decision discrepancies, thereby mining critical KWAZ. These modules are integrated into a two-stage mutual learning framework, achieving global class-level representation-decision consistency alignment and local KWAZ-guided refinement, structurally bridging cognitive biases across heterogeneous mutual learning models. Experimental results on multiple datasets and model configurations demonstrate the superior performance of FedKWAZ.

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.

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 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.

Vertex hunting (VH) is the task of estimating a simplex from noisy data points and has many applications in areas such as network and text analysis. We introduce a new variant, semi-supervised vertex hunting (SSVH), in which partial information is available in the form of barycentric coordinates for some data points, known only up to an unknown transformation. To address this problem, we develop a method that leverages properties of orthogonal projection matrices, drawing on novel insights from linear algebra. We establish theoretical error bounds for our method and demonstrate that it achieves a faster convergence rate than existing unsupervised VH algorithms. Finally, we apply SSVH to two practical settings---semi-supervised network mixed membership estimation and semi-supervised topic modeling---resulting in efficient and scalable algorithms.

We present a unified framework for automatic multitrack music arrangement that enables a single pre-trained symbolic music model to handle diverse arrangement scenarios, including reinterpretation, simplification, and additive generation. At its core is a segment-level reconstruction objective operating on token-level disentangled content and style, allowing for flexible any-to-any instrumentation transformations at inference time. To support track-wise modeling, we introduce REMI-z, a structured tokenization scheme for multitrack symbolic music that enhances modeling efficiency and effectiveness for both arrangement tasks and unconditional generation. Our method outperforms task-specific state-of-the-art models on representative tasks in different arrangement scenarios---band arrangement, piano reduction, and drum arrangement, in both objective metrics and perceptual evaluations. Taken together, our framework demonstrates strong generality and suggests broader applicability in symbolic music-to-music transformation.

A central challenge in machine learning is to understand how noise or measurement errors affect low-rank approximations, particularly in the spectral norm. This question is especially important in differentially private low-rank approximation, where one aims to preserve the top-$p$ structure of a data-derived matrix while ensuring privacy. Prior work often analyzes Frobenius norm error or changes in reconstruction quality, but these metrics can over- or under-estimate true subspace distortion. The spectral norm, by contrast, captures worst-case directional error and provides the strongest utility guarantees. We establish new high-probability spectral-norm perturbation bounds for symmetric matrices that refine the classical Eckart--Young--Mirsky theorem and explicitly capture interactions between a matrix $A \in \mathbb{R}^{n \times n}$ and an arbitrary symmetric perturbation $E$. Under mild eigengap and norm conditions, our bounds yield sharp estimates for $\| (A + E)_p - A_p \|$, where $A_p$ is the best rank-$p$ approximation of $A$, with improvements of up to a factor of $\sqrt{n}$. As an application, we derive improved utility guarantees for differentially private PCA, resolving an open problem in the literature. Our analysis relies on a novel contour bootstrapping method from complex analysis and extends it to a broad class of spectral functionals, including polynomials and matrix exponentials. Empirical results on real-world datasets confirm that our bounds closely track the actual spectral error under diverse perturbation regimes.

Recent advances in 3D Gaussian Splatting (3DGS) have improved the visual fidelity of dynamic avatar reconstruction. However, existing methods often overlook the inherent chromatic similarity of human skin tones, leading to poor capture of intricate facial geometry under subtle appearance changes. This is caused by the affine approximation of Gaussian projection, which fails to be perspective-aware to depth-induced shear effects. To this end, we propose True-to-Geometry Avatar Dynamic Reconstruction (TGA), a perspective-aware 4D Gaussian avatar framework that sensitively captures fine-grained facial variations for accurate 3D geometry reconstruction. Specifically, to enable color-sensitive and geometry-consistent Gaussian representations under dynamic conditions, we introduce Perspective-Aware Gaussian Transformation that jointly models temporal deformations and spatial projection by integrating Jacobian-guided adaptive deformation into the homogeneous formulation. Furthermore, we develop Incremental BVH Tree Pivoting to enable fast frame-by-frame mesh extraction for 4D Gaussian representations. A dynamic Gaussian Bounding Volume Hierarchy (BVH) tree is used to model the topological relationships among points, where active ones are filtered out by BVH pivoting and subsequently re-triangulated for surface reconstruction. Extensive experiments demonstrate that TGA achieves superior geometric accuracy.

Simulating society with large language models (LLMs), we argue, requires more than generating plausible behavior; it demands cognitively grounded reasoning that is structured, revisable, and traceable. LLM-based agents are increasingly used to emulate individual and group behavior, primarily through prompting and supervised fine-tuning. Yet current simulations remain grounded in a behaviorist “demographics in, behavior out” paradigm, focusing on surface-level plausibility. As a result, they often lack internal coherence, causal reasoning, and belief traceability—making them unreliable for modeling how people reason, deliberate, and respond to interventions. To address this, we present a conceptual modeling paradigm, Generative Minds (GenMinds), which draws from cognitive science to support structured belief representations in generative agents. To evaluate such agents, we introduce the RECAP (REconstructing CAusal Paths) framework, a benchmark designed to assess reasoning fidelity via causal traceability, demographic grounding, and intervention consistency. These contributions advance a broader shift: from surface-level mimicry to generative agents that simulate thought—not just language—for social simulations.

Deep neural networks trained to predict neural activity from visual input and behaviour have shown great potential to serve as digital twins of the visual cortex. Per-neuron embeddings derived from these models could potentially be used to map the functional landscape or identify cell types. However, state-of-the-art predictive models of mouse V1 do not generate functional embeddings that exhibit clear clustering patterns which would correspond to cell types. This raises the question whether the lack of clustered structure is due to limitations of current models or a true feature of the functional organization of mouse V1. In this work, we introduce DECEMber -- Deep Embedding Clustering via Expectation Maximization-based refinement -- an explicit inductive bias into predictive models that enhances clustering by adding an auxiliary $t$-distribution-inspired loss function that enforces structured organization among per-neuron embeddings. We jointly optimize both neuronal feature embeddings and clustering parameters, updating cluster centers and scale matrices using the EM-algorithm. We demonstrate that these modifications improve cluster consistency while preserving high predictive performance and surpassing standard clustering methods in terms of stability. Moreover, DECEMber generalizes well across species (mice, primates) and visual areas (retina, V1, V4). The code is available at https://github.com/Nisone2000/DECEMber, https://github.com/ecker-lab/cnn-training.

Diffusion models have advanced rapidly in recent years, producing high-fidelity images while raising concerns about intellectual property protection and the misuse of generative AI. Image watermarking for diffusion models, particularly Noise-as-Watermark (NaW) methods, encode watermark as specific standard Gaussian noise vector for image generation, embedding the infomation seamlessly while maintaining image quality. For detection, the generation process is inverted to recover the initial noise vector containing the watermark before extraction. However, existing NaW methods struggle to balance watermark robustness with generation diversity. Some methods achieve strong robustness by heavily constraining initial noise sampling, which degrades user experience, while others preserve diversity but prove too fragile for real-world deployment. To address this issue, we propose T2SMark, a two-stage watermarking scheme based on Tail-Truncated Sampling (TTS). Unlike prior methods that simply map bits to positive or negative values, TTS enhances robustness by embedding bits exclusively in the reliable tail regions while randomly sampling the central zone to preserve the latent distribution. Our two-stage framework then ensures sampling diversity by integrating a randomly generated session key into both encryption pipelines. We evaluate T2SMark on diffusion models with both U-Net and DiT backbones. Extensive experiments show that it achieves an optimal balance between robustness and diversity.

Large language models (LLMs) have achieved state-of-the-art performance in a variety of tasks, but remain largely opaque in terms of their internal mechanisms. Understanding these mechanisms is crucial to improve their reasoning abilities. Drawing inspiration from the interplay between neural processes and human cognition, we propose a novel interpretability framework to systematically analyze the roles and behaviors of attention heads, which are key components of LLMs. We introduce CogQA, a dataset that decomposes complex questions into step-by-step subquestions with a chain-of-thought design, each associated with specific cognitive functions such as retrieval or logical reasoning. By applying a multi-label probing method, we identify the attention heads responsible for these functions. Our analysis across multiple LLM families reveals that attention heads exhibit functional specialization, characterized as cognitive heads. These cognitive heads exhibit several key properties: they are universally sparse, and vary in number and distribution across different cognitive functions, and they display interactive and hierarchical structures. We further show that cognitive heads play a vital role in reasoning tasks—removing them leads to performance degradation, while augmenting them enhances reasoning accuracy. These insights offer a deeper understanding of LLM reasoning and suggest important implications for model design, training and fine-tuning strategies.

A central question in sensory neuroscience is how much, but also what information neurons transmit about the world. While Shannon’s information theory provides a principled framework to quantify the amount of information neurons encode about all stimuli, it does not reveal which stimuli contribute most, or what stimulus features are encoded. As a concrete example, it is known that neurons in the early visual cortex are 'sensitive' to stimuli in a small region of space (their receptive field). However, it is not clear how such simple intuitions carry to more complex scenarios, e.g. with large, noisy & non-linear population of neurons and high-dimensional stimuli. Several previous measures of neural sensitivity have been proposed. For example, the Fisher information quantifies the sensitivity of neural responses to infinitesimal stimulus perturbations. However, as the Fisher is not a valid decomposition of the mutual information it cannot say how different stimuli contribute to the total encoded information. On the other hand, previous works have proposed stimulus dependent decompositions of mutual information, which define a function $ I(x) $ such that $ I(R; X) = \mathbb{E}[I(x)] $. However, this decomposition is inherently ill-posed: infinitely many functions $I(x)$ satisfy the constraint, with no principled way to select among them. Further, different decompositions behave in qualitatively different ways, making it hard to interpret what are they are telling us. Finally, most proposed decompositions are computationally intractable for the high-dimensional stimuli and non-linear encoding models relevant for neuroscience. To resolve these limitations, we propose a set of axioms that any stimulus specific and feature-specific information decomposition should satisfy in order to serve as a meaningful and interpretable measure of neural sensitivity. These axioms formalize intuitive desiderata: that the information assigned to each stimulus, and stimulus feature, should be non-negative, and additive with respect to repeated measurements. We also require the decomposition to respect a form of locality: changes in how a neuron responds to a stimulus $ x $ should not affect the information attributed to a distant stimulus $ x' $. Finally, the attribution must be insensitive to irrelevant features, which do not contribute to the total information. Together, these constraints ensure that the decomposition is both interpretable and theoretically grounded. We show that existing decompositions violate one or more of these axioms, limiting their interpretability and use as information theoretic measures of neural sensitivity. We then introduce a novel decomposition that satisfies all of our axioms. It generalizes Fisher information by capturing neural sensitivity to both infinitesimal and finite stimulus perturbations. Moreover, it supports further decomposition across individual stimulus features (e.g., image pixels), enabling fine-grained analysis of neural representations. Beyond satisfying our theoretical axioms, our decomposition is computationally tractable for large neural populations and high-dimensional naturalistic stimuli, through the use of diffusion models. We demonstrate the power of our method by quantifying the information encoded by a model of visual neurons about individual images and pixels. Our approach uncovers aspects of the neural code that are not picked up by standard methods, such as the Fisher information, and opens the door to similar analyses in higher-order sensory areas, and artificial neural networks.

Science progresses by iteratively advancing and correcting humanity's understanding of the world. In machine learning (ML) research, rapid advancements have led to an explosion of publications, but have also led to misleading, incorrect, flawed or perhaps even fraudulent studies being accepted and sometimes highlighted at ML conferences due to the fallibility of peer review. While such mistakes are understandable, ML conferences do not offer robust processes to help the field systematically correct when such errors are made. This position paper argues that ML conferences should establish a dedicated "Refutations and Critiques" (R&C) Track. This R&C Track would provide a high-profile, reputable platform to support vital research that critically challenges prior research, thereby fostering a dynamic self-correcting research ecosystem. We discuss key considerations including track design, review principles, potential pitfalls, and provide an illustrative example submission concerning a recent ICLR 2025 Oral. We conclude that ML conferences should create official, reputable mechanisms to help ML research self-correct.

Electroencephalography (EEG) has wide-ranging applications, from clinical diagnosis to brain-computer interfaces (BCIs). With the increasing volume and variety of EEG data, there has been growing interest in establishing foundation models (FMs) to scale up and generalize neural decoding. Despite showing early potential, applying FMs to EEG remains challenging due to substantial inter-subject, inter-task, and inter-condition variability, as well as diverse electrode configurations across recording setups. To tackle these open challenges, we propose **NeurIPT**, a foundation model tailored for diverse EEG-based **Neur**al **I**nterfaces with a **P**re-trained **T**ransformer by capturing both homogeneous and heterogeneous spatio-temporal characteristics inherent in EEG signals. Temporally, we introduce Amplitude-Aware Masked Pretraining (AAMP), masking based on signal amplitude rather than random intervals, to learn robust representations across varying signal intensities beyond local interpolation. Moreover, this temporal representation is enhanced by a progressive Mixture-of-Experts (MoE) architecture, where specialized expert subnetworks are progressively introduced at deeper layers, adapting effectively to the diverse temporal characteristics of EEG signals. Spatially, NeurIPT leverages the 3D physical coordinates of electrodes, enabling effective transfer across varying EEG settings, and develops Intra-Inter Lobe Pooling (IILP) during fine-tuning to efficiently exploit regional brain features. Empirical evaluations across nine downstream BCI datasets, via fine-tuning and training from scratch, demonstrated NeurIPT consistently achieved state-of-the-art performance, highlighting its broad applicability and robust generalization. Our work pushes forward the state of FMs in EEG and offers insights into scalable and generalizable neural information processing systems.

Stylizing 3D scenes instantly while maintaining multi-view consistency and faithfully resembling a style image remains a significant challenge. Current state-of-the-art 3D stylization methods typically involve computationally intensive test-time optimization to transfer artistic features into a pretrained 3D representation, often requiring dense posed input images. In contrast, leveraging recent advances in feed-forward reconstruction models, we demonstrate a novel approach to achieve direct 3D stylization in less than a second using unposed sparse-view scene images and an arbitrary style image. To address the inherent decoupling between reconstruction and stylization, we introduce a branched architecture that separates structure modeling and appearance shading, effectively preventing stylistic transfer from distorting the underlying 3D scene structure. Furthermore, we adapt an identity loss to facilitate pre-training our stylization model through the novel view synthesis task. This strategy also allows our model to retain its original reconstruction capabilities while being fine-tuned for stylization. Comprehensive evaluations, using both in-domain and out-of-domain datasets, demonstrate that our approach produces high-quality stylized 3D content that achieve a superior blend of style and scene appearance, while also outperforming existing methods in terms of multi-view consistency and efficiency.