NeurIPS 2025 Papers

Learning pseudo-contractive denoisers is a fundamental challenge in the theoretical analysis of Plug-and-Play (PnP) methods and the Regularization by Denoising (RED) framework. While spectral methods attempt to address this challenge using the power iteration method, they fail to guarantee the truly pseudo-contractive property and suffer from high computational complexity. In this work, we rethink gradient step (GS) denoisers and establish a theoretical connection between GS denoisers and pseudo-contractive operators. We show that GS denoisers, with the gradients of convex potential functions parameterized by input convex neural networks (ICNNs), can achieve truly pseudo-contractive properties. Furthermore, we integrate the learned truly pseudo-contractive denoiser into the RED-PRO (RED via fixed-point projection) model, definitely ensuring convergence in terms of both iterative sequences and objective functions. Extensive numerical experiments confirm that the learned GS denoiser satisfies the truly pseudo-contractive property and, when integrated into RED-PRO, provides a favorable trade-off between interpretability and empirical performance on inverse problems.

Modern large language models (LLMs) are inherently auto-regressive, requiring input to be serialized into flat sequences regardless of their structural dependencies. This serialization hinders the model’s ability to leverage structural inductive biases, especially in tasks such as retrieval-augmented generation (RAG) and reasoning on data with native graph structures, where inter-segment dependencies are crucial. We introduce Graph-KV with the potential to overcome this limitation. Graph-KV leverages the KV-cache of text segments as condensed representations and governs their interaction through structural inductive biases. In this framework, ''target'' segments selectively attend only to the KV-caches of their designated ''source'' segments, rather than all preceding segments in a serialized sequence. This approach induces a graph-structured block mask, sparsifying attention and enabling a message-passing-like step within the LLM. Furthermore, strategically allocated positional encodings for source and target segments reduce positional bias and context window consumption. We evaluate Graph-KV across three scenarios: (1) seven RAG benchmarks spanning direct inference, multi-hop reasoning, and long-document understanding; (2) Arxiv-QA, a novel academic paper QA task with full-text scientific papers structured as citation ego-graphs; and (3) paper topic classification within a citation network. By effectively reducing positional bias and harnessing structural inductive biases, Graph-KV substantially outperforms baselines, including standard costly sequential encoding, across various settings.

Growing evidence suggests that synaptic weights in the brain follow heavy-tailed distributions, yet most theoretical analyses of recurrent neural networks (RNNs) assume Gaussian connectivity. We systematically study the activity of RNNs with random weights drawn from biologically plausible Lévy alpha-stable distributions. While mean-field theory for the infinite system predicts that the quiescent state is always unstable---implying ubiquitous chaos---our finite-size analysis reveals a sharp transition between quiescent and chaotic dynamics. We theoretically predict the gain at which the finite system transitions from quiescent to chaotic dynamics, and validate it through simulations. Compared to Gaussian networks, finite heavy-tailed RNNs exhibit a broader gain regime near the edge of chaos, namely, a slow transition to chaos. However, this robustness comes with a tradeoff: heavier tails reduce the Lyapunov dimension of the attractor, indicating lower effective dimensionality. Our results reveal a biologically aligned tradeoff between the robustness of dynamics near the edge of chaos and the richness of high-dimensional neural activity. By analytically characterizing the transition point in finite-size networks---where mean-field theory breaks down---we provide a tractable framework for understanding dynamics in realistically sized, heavy-tailed neural circuits.

Understanding objects at the level of their constituent parts is fundamental to advancing computer vision, graphics, and robotics. While datasets like PartNet have driven progress in 3D part understanding, their reliance on untextured geometries and expert-dependent annotation limits scalability and usability. We introduce PartNeXt, a next-generation dataset addressing these gaps with over 23000 high-quality, textured 3D models annotated with fine-grained, hierarchical part labels across 50 categories. We benchmark PartNeXt on two tasks: (1) class-agnostic part segmentation, where state-of-the-art methods (e.g., PartField, SAMPart3D) struggle with fine-grained and leaf-level parts, and (2) 3D part-centric question answering, a new benchmark for 3D-LLMs that reveals significant gaps in open-vocabulary part grounding. Additionally, training Point-SAM on PartNeXt yields substantial gains over PartNet, underscoring the dataset’s superior quality and diversity. By combining scalable annotation, texture-aware labels, and multi-task evaluation, PartNeXt opens new avenues for research in structured 3D understanding.

The capacity of deep learning models is often large enough to both learn the underlying statistical signal and overfit to noise in the training set. This noise memorization can be harmful especially for data with a low signal-to-noise ratio (SNR), leading to poor generalization. Inspired by prior observations that label noise provides implicit regularization that improves generalization, in this work, we investigate whether introducing label noise to the gradient updates can enhance the test performance of neural network (NN) in the low SNR regime. Specifically, we consider training a two-layer NN with a simple label noise gradient descent (GD) algorithm, in an idealized signal-noise data setting. We prove that adding label noise during training suppresses noise memorization, preventing it from dominating the learning process; consequently, label noise GD enjoys rapid signal growth while the overfitting remains controlled, thereby achieving good generalization despite the low SNR. In contrast, we also show that NN trained with standard GD tends to overfit to noise in the same low SNR setting and establish a non-vanishing lower bound on its test error, thus demonstrating the benefit of introducing label noise in gradient-based training.

Seasonal-scale climate prediction plays a critical role in supporting agricultural planning, disaster prevention, and long-term decision making. In particular, reliable forecasts issued 1-6 months in advance are essential for early warning of flood and drought risks associated with precipitation during the East Asian summer monsoon season. However, while the use of machine learning techniques has advanced rapidly in weather and subseasonal-to-seasonal forecasting, partly driven by the availability of benchmark datasets, their application to seasonal-scale prediction remains limited. Existing seasonal prediction primarily relies on ensemble forecasts from numerical models, which, while physically grounded, are subject to biases and uncertainties at long lead times. Motivated by these challenges, we propose SeasonBench-EA, a benchmark dataset for seasonal prediction in East Asia region. It features multi-resolution, multi-source data with both regional and global coverage, integrating ERA5 reanalysis data and ensemble forecasts from multiple leading forecast centers. Beyond key atmospheric fields, the dataset also includes boundary-related variables, such as ocean state, soil and solar radiation, that are essential for capturing seasonal-scale atmospheric variability. Two tasks are defined and evaluated: 1) machine learning-based seasonal prediction using ERA5 reanalysis, and 2) post-processing of seasonal forecasts from numerical model ensembles. A suite of deterministic and probabilistic metrics is provided for tasks evaluation, along with a hindcast assessment focused on precipitation during the East Asian summer monsoon, aligned with model evaluation protocols used in operations. By offering a unified data and evaluation framework, SeasonBench-EA aims to promote the development and application of data-driven methods for seasonal prediction, a challenging yet highly impactful task with board implications for society and public well-being. Our benchmark is available at https://github.com/SauryChen/SeasonBench-EA.

Direct preference optimization (DPO) is widely used as a simple and stable method for aligning large language models (LLMs) with human preferences. This paper investigates a generalized DPO loss that enables a policy model to match the target policy from a likelihood ratio estimation perspective. The ratio of the target policy provides a unique identification of the policy distribution without relying on reward models or partition functions. This allows the generalized loss to retain both simplicity and theoretical guarantees, which prior work such as $f$-PO fails to achieve simultaneously. We propose \textit{Bregman preference optimization} (BPO), a generalized framework for ratio matching that provides a family of objective functions achieving target policy optimality. BPO subsumes DPO as a special case and offers tractable forms for all instances, allowing implementation with a few lines of code. We further develop scaled Basu's power divergence (SBA), a gradient scaling method that can be used for BPO instances. The BPO framework complements other DPO variants and is applicable to target policies defined by these variants. In experiments, unlike other probabilistic loss extensions such as $f$-DPO or $f$-PO, which exhibits a trade-off between generation fidelity and diversity, instances of BPO improve both win rate and entropy compared with DPO. When applied to Llama-3-8B-Instruct, BPO achieves state-of-the-art performance among Llama-3-8B backbones, with a 55.9\% length-controlled win rate on AlpacaEval2. Project page: https://github.com/aailab-kaist/BPO.

Federated Learning (FL) enables multiple clients to collaboratively train models without sharing raw data, but is vulnerable to Byzantine attacks and data heterogeneity, which can severely degrade performance. Existing Byzantine-robust approaches tackle data heterogeneity, but incur high computational overhead during gradient aggregation, thereby slowing down the training process. To address this issue, we propose a simple yet effective Federated Normalized Gradients Algorithm (Fed-NGA), which performs aggregation by merely computing the weighted mean of the normalized gradients from each client. This approach yields a favorable time complexity of $\mathcal{O}(pM)$, where $p$ is the model dimension and $M$ is the number of clients. We rigorously prove that Fed-NGA is robust to both Byzantine faults and data heterogeneity. For non-convex loss functions, Fed-NGA achieves convergence to a neighborhood of stationary points under general assumptions, and further attains zero optimality gap under some mild conditions, which is an outcome rarely achieved in existing literature. In both cases, the convergence rate is $\mathcal{O}(1/T^{\frac{1}{2} - \delta})$, where $T$ denotes the number of iterations and $\delta \in (0, 1/2)$. Experimental results on benchmark datasets confirm the superior time efficiency and convergence performance of Fed-NGA over existing methods.

Large language models are increasingly customized through fine-tuning and other adaptations, creating challenges in enforcing licensing terms and managing downstream impacts such as protecting intellectual property or identifying vulnerabilities. We address this challenge by developing a framework for testing model provenance. Our approach is based on the key observation that real-world model derivations preserve significant similarities in model outputs that can be detected through statistical analysis. Using only black-box access to models, we employ multiple hypothesis testing to compare model similarities against a baseline established by unrelated models. On two comprehensive real-world benchmarks spanning models from 30M to 4B parameters and comprising over 600 models, our tester achieves 90-95% precision and 80-90% recall in identifying derived models. These results demonstrate the viability of systematic provenance verification in production environments even when only API access is available.

Transferring appearance to 3D assets using different representations of the appearance object - such as images or text - has garnered interest due to its wide range of applications in industries like gaming, augmented reality, and digital content creation. However, state-of-the-art methods still fail when the geometry between the input and appearance objects is significantly different. A straightforward approach is to directly apply a 3D generative model, but we show that this ultimately fails to produce appealing results. Instead, we propose a principled approach inspired by universal guidance. Given a pretrained rectified flow model conditioned on image or text, our training-free method interacts with the sampling process by periodically adding guidance. This guidance can be modeled as a differentiable loss function, and we experiment with two different types of guidance including part-aware losses for appearance and self-similarity. Our experiments show that our approach successfully transfers texture and geometric details to the input 3D asset, outperforming baselines both qualitatively and quantitatively. We also show that traditional metrics are not suitable for evaluating the task due to their inability of focusing on local details and comparing dissimilar inputs, in absence of ground truth data. We thus evaluate appearance transfer quality with a GPT-based system objectively ranking outputs, ensuring robust and human-like assessment, as further confirmed by our user study. Beyond showcased scenarios, our method is general and could be extended to different types of diffusion models and guidance functions. Project Page: *[https://sayands.github.io/guideflow3d](https://sayands.github.io/guideflow3d)*

Reinforcement learning (RL) systems, while achieving remarkable success across various domains, are vulnerable to adversarial attacks. This is especially a concern in vision-based environments where minor manipulations of high-dimensional image inputs can easily mislead the agent's behavior. To this end, various defenses have been proposed recently, with state-of-the-art approaches achieving robust performance even under large state perturbations. However, after closer investigation, we found that the effectiveness of the current defenses is due to a fundamental weakness of the existing $l_p$ norm-constrained attacks, which can barely alter the semantics of image input even under a relatively large perturbation budget. In this work, we propose SHIFT, a novel policy-agnostic diffusion-based state perturbation attack to go beyond this limitation. Our attack is able to generate perturbed states that are semantically different from the true states while remaining realistic and history-aligned to avoid detection. Evaluations show that our attack effectively breaks existing defenses, including the most sophisticated ones, significantly outperforming existing attacks while being more perceptually stealthy. The results highlight the vulnerability of RL agents to semantics-aware adversarial perturbations, indicating the importance of developing more robust policies.

Spike sorting is an essential process in neural recording, which identifies and separates electrical signals from individual neurons recorded by electrodes in the brain, enabling researchers to study how specific neurons communicate and process information. Although there exist a number of spike sorting methods which have contributed to significant neuroscientific breakthroughs, many are heuristically designed, making it challenging to verify their correctness due to the difficulty of obtaining ground truth labels from real-world neural recordings. In this work, we explore a data-driven, deep learning-based approach. We begin by creating a large-scale dataset through electrophysiology simulations using biologically realistic computational models. We then present SimSort, a pretraining framework for spike sorting. Trained solely on simulated data, SimSort demonstrates zero-shot generalizability to real-world spike sorting tasks, yielding consistent improvements over existing methods across multiple benchmarks. These results highlight the potential of simulation-driven pretraining to enhance the robustness and scalability of spike sorting in experimental neuroscience.

Participating in efforts to endow generative AI with the 3D physical world perception, we propose I2-NeRF, a novel neural radiance field framework that enhances isometric and isotropic metric perception under media degradation. While existing NeRF models predominantly rely on object-centric sampling, I2-NeRF introduces a reverse-stratified upsampling strategy to achieve near-uniform sampling across 3D space, thereby preserving isometry. We further present a general radiative formulation for media degradation that unifies emission, absorption, and scattering into a particle model governed by the Beer–Lambert attenuation law. By matting direct and media-induced in-scatter radiance, this formulation extends naturally to complex media environments such as underwater, haze, and even low-light scenes. By treating light propagation uniformly in both vertical and horizontal directions, I2-NeRF enables isotropic metric perception and can even estimate medium properties such as water depth. Experiments on real-world datasets demonstrate that our method significantly improves both reconstruction fidelity and physical plausibility compared to existing approaches. The source code will be released.

Value decomposition has long been a fundamental technique in multi-agent reinforcement learning and dynamic programming. Specifically, the value function of a global state $(s_1,s_2,\ldots,s_N)$ is often approximated as the sum of local functions: $V(s_1,s_2,\ldots,s_N)\approx\sum_{i=1}^N V_i(s_i)$. This approach has found various applications in modern RL systems. However, the theoretical justification for why this decomposition works so effectively remains underexplored. In this paper, we uncover the underlying mathematical structure that enables value decomposition. We demonstrate that a Markov decision process (MDP) permits value decomposition *if and only if* its transition matrix is not "entangled"—a concept analogous to quantum entanglement in quantum physics. Drawing inspiration from how physicists measure quantum entanglement, we introduce how to measure the "Markov entanglement" and show that this measure can be used to bound the decomposition error in general multi-agent MDPs. Using the concept of Markov entanglement, we proved that a widely-used class of policies, the index policy, is weakly-entangled and enjoys a sublinear $\mathcal O(\sqrt{N})$ scale of decomposition error for $N$-agent systems. Finally, we show Markov entanglement can be efficiently estimated, guiding practitioners on the feasibility of value decomposition.

Online bidding is a classic optimization problem, with several applications in online decision-making, the design of interruptible systems, and the analysis of approximation algorithms. In this work, we study online bidding under learning-augmented settings that incorporate stochasticity, in either the prediction oracle or the algorithm itself. In the first part, we study bidding under distributional predictions, and find Pareto-optimal algorithms that offer the best-possible tradeoff between the consistency and the robustness of the algorithm. In the second part, we study the power and limitations of randomized bidding algorithms, by presenting upper and lower bounds on the consistency/robustness tradeoffs. Previous works focused predominantly on oracles that do not leverage stochastic information on the quality of the prediction, and deterministic algorithms.

$k$-anonymity is a widely-used privacy-preserving concept that ensures each record in a dataset is indistinguishable from at least $k-1$ other records. In this paper, we revisit $k$-anonymity by suppression and give an $O(k)$-approximation algorithm with a nearly-linear runtime of $\tilde{O}(nd + n^{1+1/C^2}/k^{1/C^2})$ for an arbitrary constant $C$, where $n$ is the number of records and $d$ is the number of attributes. Previous algorithms with provable guarantees either (1) achieve the same $O(k)$ approximation ratio but require at least $O(n^2 k)$ runtime, or (2) provide a better $O(\log k)$ approximation ratio at the cost of an impractical $O(n^{2k})$ worst-case runtime for general $d$ and $k$. Our algorithm extends to the Massively Parallel Computation (MPC) model, where it can be adapted into an MPC algorithm requiring $\tilde{O}(\log^{1+\epsilon} n)$ rounds and total space $O(n^{1+1/C^2}(d+k))$. Empirically, we also demonstrate that our algorithmic ideas can be adapted to existing heuristic methods, leading to significant speed-ups while preserving comparable performance. Although~\citep{PS07} introduced improvements to achieve more practical runtimes for their $O(\log k)$-approximation algorithm, its worst-case runtime remains $O(n^{2k})$. A natural question arises: can we develop an algorithm with an $o(k)$ approximation ratio and a polynomial runtime? We investigate the single-point $k$-anonymity problem, where the goal is to select $k-1$ additional records to make a given record indistinguishable. Surprisingly, assuming the dense vs random conjecture in complexity theory, we show that for $n = k^c$, no algorithm can achieve a $k^{1 - O(1/c)}$ approximation in $\mathrm{poly}(k)$ time. This provides evidence of the inherent hardness of the $k$-anonymity problem.

In multi-objective learning (MOL), several possibly competing prediction tasks must be solved jointly by a single model. Achieving good trade-offs may require a model class $\mathcal{G}$ with larger capacity than what is necessary for solving the individual tasks. This, in turn, increases the statistical cost, as reflected in known MOL bounds that depend on the complexity of $\mathcal{G}$. We show that this cost is unavoidable for some losses, even in an idealized semi-supervised setting, where the learner has access to the Bayes-optimal solutions for the individual tasks as well as the marginal distributions over the covariates. On the other hand, for objectives defined with Bregman losses, we prove that the complexity of $\mathcal{G}$ may come into play only in terms of unlabeled data. Concretely, we establish sample complexity upper bounds, showing precisely when and how unlabeled data can significantly alleviate the need for labeled data. This is achieved by a simple pseudo-labeling algorithm.

In this work, we present a novel level-of-detail (LOD) method for 3D Gaussian Splatting that enables real-time rendering of large-scale scenes on memory-constrained devices. Our approach introduces a hierarchical LOD representation that iteratively selects optimal subsets of Gaussians based on camera distance, thus largely reducing both rendering time and GPU memory usage. We construct each LOD level by applying a depth-aware 3D smoothing filter, followed by importance-based pruning and fine-tuning to maintain visual fidelity. To further reduce memory overhead, we partition the scene into spatial chunks and dynamically load only relevant Gaussians during rendering, employing an opacity-blending mechanism to avoid visual artifacts at chunk boundaries. Our method achieves state-of-the-art performance on both outdoor (Hierarchical 3DGS) and indoor (Zip-NeRF) datasets, delivering high-quality renderings with reduced latency and memory requirements.

We study Transformers through the perspective of optimal control theory, using tools from continuous-time formulations to derive actionable insights into training and architecture design. This framework improves the performance of existing Transformer models while providing desirable theoretical guarantees, including generalization and robustness. Our framework is designed to be plug-and-play, enabling seamless integration with established Transformer models and requiring only slight changes to the implementation. We conduct seven extensive experiments on tasks motivated by text generation, sentiment analysis, image classification, and point cloud classification. Experimental results show that the framework improves the test performance of the baselines, while being more parameter-efficient. On character-level text generation with nanoGPT, our framework achieves a 46\% reduction in final test loss while using 42\% fewer parameters. On GPT-2, our framework achieves a 9.3\% reduction in final test loss, demonstrating scalability to larger models. To the best of our knowledge, this is the first work that applies optimal control theory to both the training and architecture of Transformers. It offers a new foundation for systematic, theory-driven improvements and moves beyond costly trial-and-error approaches.