NeurIPS 2025 Papers

Recent methods in language model interpretability employ techniques such as sparse autoencoders to decompose residual stream contributions into linear, semantically-meaningful features. Our work demonstrates that an underlying assumption of these methods—that residual stream contributions build additively upon each other—is insufficient to fully explain model behavior. Specifically, we identify the Transformer Layer Correction Mechanism (TLCM), wherein adjacent transformer layers systematically counteract each other's contributions to the residual stream. TLCM appears in 5 out of 7 major open-source model families and activates across nearly all tokens in diverse texts. To understand TLCM, we show that it emerges during pretraining, operates most strongly on punctuation and numbers, and adaptively calibrates its correction strength based on the preceding layer's output. We further show that TLCM actively corrects a small subspace and promotes other subspaces, different from standard model behavior. We advance the ``propose-and-reject'' hypothesis: layers may propose multiple candidate features, while subsequent layers selectively filter out inappropriate ones. Finally, we discuss how our findings help explain three persistent challenges in feature-based interpretability: why extracted features descriptions often suffer from low specificity; why feature-based interventions for model steering fail at low magnitude; why recent work finds cross-layer transcoders outperform SAEs.

Online structured prediction is a task of sequentially predicting outputs with complex structures based on inputs and past observations, encompassing online classification. Recent studies showed that in the full-information setting, we can achieve finite bounds on the *surrogate regret*, *i.e.,* the extra target loss relative to the best possible surrogate loss. In practice, however, full-information feedback is often unrealistic as it requires immediate access to the whole structure of complex outputs. Motivated by this, we propose algorithms that work with less demanding feedback, *bandit* and *delayed* feedback. For bandit feedback, by using a standard inverse-weighted gradient estimator, we achieve a surrogate regret bound of $O(\sqrt{KT})$ for the time horizon $T$ and the size of the output set $K$. However, $K$ can be extremely large when outputs are highly complex, resulting in an undesirable bound. To address this issue, we propose another algorithm that achieves a surrogate regret bound of $O(T^{2/3})$, which is independent of $K$. This is achieved with a carefully designed pseudo-inverse matrix estimator. Furthermore, we numerically compare the performance of these algorithms, as well as existing ones. Regarding delayed feedback, we provide algorithms and regret analyses that cover various scenarios, including full-information and bandit feedback, as well as fixed and variable delays.

The emergence of large-scale pre-trained point cloud models has significantly advanced 3D scene understanding, but adapting these models to specific downstream tasks typically demands full fine-tuning, incurring high computational and storage costs. Parameter-efficient fine-tuning (PEFT) techniques, successful in natural language processing and 2D vision tasks, would underperform when naively applied to 3D point cloud models due to significant geometric and spatial distribution shifts. Existing PEFT methods commonly treat points as orderless tokens, neglecting important local spatial structures and global geometric contexts in 3D modeling. To bridge this gap, we introduce the Geometric Encoding Mixer (GEM), a novel geometry-aware PEFT module specifically designed for 3D point cloud transformers. GEM explicitly integrates fine-grained local positional encodings with a lightweight latent attention mechanism to capture comprehensive global context, thereby effectively addressing the spatial and geometric distribution mismatch. Extensive experiments demonstrate that GEM achieves performance comparable to or sometimes even exceeding full fine-tuning, while only updating 1.6% of the model's parameters, fewer than other PEFT methods. With significantly reduced training time and memory requirements, our approach thus sets a new benchmark for efficient, scalable, and geometry-aware fine-tuning of large-scale 3D point cloud models. Code is available at https://github.com/LiyaoTang/GEM.

Arctic sea ice performs a vital role in global climate and has paramount impacts on both polar ecosystems and coastal communities. In the last few years, multiple deep learning based pan-Arctic sea ice concentration (SIC) forecasting methods have emerged and showcased superior performance over physics-based dynamical models. However, previous methods forecast SIC at a fixed temporal granularity, e.g. sub-seasonal or seasonal, thus only leveraging inter-granularity information and overlooking the plentiful inter-granularity correlations. SIC at various temporal granularities exhibits cumulative effects and are naturally consistent, with short-term fluctuations potentially impacting long-term trends and long-term trends provides effective hints for facilitating short-term forecasts in Arctic sea ice. Therefore, in this study, we propose to cultivate temporal multi-granularity that naturally derived from Arctic sea ice reanalysis data and provide a unified perspective for modeling SIC via our Sea Ice Fusion framework. SIFusion is delicately designed to leverage both intra-granularity and inter-granularity information for capturing granularity-consistent representations that promote forecasting skills. Our extensive experiments show that SIFusion outperforms off-the-shelf deep learning models for their specific temporal granularity.

LLM-based formal proof assistants (e.g., in Lean) hold great promise for automating mathematical discovery. But beyond syntactic correctness, do these systems truly understand mathematical structure as humans do? We investigate this question in context of mathematical inequalities---specifically the prover's ability to recognize that the given problem simplifies by applying a known inequality such as AM/GM. Specifically, we are interested in their ability to do this in a {\em compositional setting} where multiple inequalities must be applied as part of a solution. We introduce \ineqcomp, a benchmark built from elementary inequalities through systematic transformations, including variable duplication, algebraic rewriting, and multi-step composition. Although these problems remain easy for humans, we find that most provers---including Goedel, STP, and Kimina-7B---struggle significantly. DeepSeek-Prover-V2-7B shows relative robustness, but still suffers a 20\% performance drop (pass@32). Even for DeepSeek-Prover-V2-671B model, the gap between compositional variants and seed problems exists, implying that simply scaling up the model size alone does not fully solve the compositional weakness. Strikingly, performance remains poor for all models even when formal proofs of the constituent parts are provided in context, revealing that the source of weakness is indeed in compositional reasoning. Our results expose a persisting gap between the generalization behavior of current AI provers and human mathematical intuition. All data and evaluation code can be found at \url{https://github.com/haoyuzhao123/LeanIneqComp}.

Zero-shot object navigation (ZSON) allows robots to find target objects in unfamiliar environments using natural language instructions, without relying on pre-built maps or task-specific training. Recent general-purpose models, such as large language models (LLMs) and vision-language models (VLMs), equip agents with semantic reasoning abilities to estimate target object locations in a zero-shot manner. However, these models often greedily select the next goal without maintaining a global understanding of the environment and are fundamentally limited in the spatial reasoning necessary for effective navigation. To overcome these limitations, we propose a novel 3D voxel-based belief map that estimates the target’s prior presence distribution within a voxelized 3D space. This approach enables agents to integrate semantic priors from LLMs and visual embeddings with hierarchical spatial structure, alongside real-time observations, to build a comprehensive 3D global posterior belief of the target’s location. Building on this 3D voxel map, we introduce BeliefMapNav, an efficient navigation system with two key advantages: i) grounding LLM semantic reasoning within the 3D hierarchical semantics voxel space for precise target position estimation, and ii) integrating sequential path planning to enable efficient global navigation decisions. Experiments on HM3D and HSSD benchmarks show that BeliefMapNav achieves state-of-the-art (SOTA) Success Rate (SR) and Success weighted by Path Length (SPL), with a notable 9.7 SPL improvement over the previous best SR method, validating its effectiveness and efficiency.

The rise of parallel computing hardware has made it increasingly important to understand which nonlinear state space models can be efficiently parallelized. Recent advances have shown that evaluating a state space model can be recast as solving a parallelizable optimization problem, and sometimes this approach yields dramatic speed-ups in evaluation time. However, the factors that govern the difficulty of these optimization problems remain unclear, limiting the larger adoption of the technique. In this work, we establish a precise relationship between the dynamics of a nonlinear system and the conditioning of its corresponding optimization formulation. We show that the predictability of a system, defined as the degree to which small perturbations in state influence future behavior, directly governs the number of optimization steps required for evaluation. In predictable systems, the state trajectory can be computed in $\mathcal{O}((\log T)^2)$ time, where $T$ is the sequence length, a major improvement over the conventional sequential approach. In contrast, chaotic or unpredictable systems exhibit poor conditioning, with the consequence that parallel evaluation converges too slowly to be useful. Importantly, our theoretical analysis demonstrates that for predictable systems, the optimization problem is always well-conditioned, whereas for unpredictable systems, the conditioning degrades exponentially as a function of the sequence length. We validate our claims through extensive experiments, providing practical guidance on when nonlinear dynamical systems can be efficiently parallelized, and highlighting predictability as a key design principle for parallelizable models.

Most work on adaptive data analysis assumes that samples in the dataset are independent. When correlations are allowed, even the non-adaptive setting can become intractable, unless some structural constraints are imposed. To address this, Bassily and Freund [2016] introduced the elegant framework of *concentrated queries*, which requires the analyst to restrict itself to queries that are concentrated around their expected value. While this assumption makes the problem trivial in the non-adaptive setting, in the adaptive setting it remains quite challenging. In fact, all known algorithms in this framework support significantly fewer queries than in the independent case: At most $O(n)$ queries for a sample of size $n$, compared to $O(n^2)$ in the independent setting. In this work, we prove that this utility gap is inherent under the current formulation of the concentrated queries framework, assuming some natural conditions on the algorithm. Additionally, we present a simplified version of the best-known algorithms that match our impossibility result.

Federated Learning enables collaborative training across decentralized edge devices while preserving data privacy. However, fine-tuning large-scale pre-trained models in federated learning is hampered by substantial communication overhead and client resource limitations. Parameter-efficient fine-tuning methods like Low-Rank Adaptation (LoRA) reduce resource demands but suffer from aggregation discrepancies and heightened vulnerability to label noise, particularly in heterogeneous federated settings. In this paper, we introduce RFedLR, a robust federated PEFT framework designed to overcome these challenges. RFedLR integrates two key components: (1) Sensitivity-aware robust tuning, which identifies and selectively updates noise-sensitive parameters to bolster local robustness against label noise, and (2) Adaptive federated LoRA aggregation, which dynamically weights and aggregates LoRA updates based on their importance and stability to minimize bias and noise propagation. Comprehensive experimental validation shows RFedLR outperforms existing methods, achieving superior accuracy and robustness in noisy federated scenarios. Our code is available at: https://github.com/FangXiuwen/RFedLR

Existing machine unlearning (MU) approaches exhibit significant sensitivity to hyperparameters, requiring meticulous tuning that limits practical deployment. In this work, we first empirically demonstrate the instability and suboptimal performance of existing popular MU methods when deployed in different scenarios. To address this issue, we propose Dual Optimizer (DualOptim), which incorporates adaptive learning rate and decoupled momentum factors. Empirical and theoretical evidence demonstrates that DualOptim contributes to effective and stable unlearning. Through extensive experiments, we show that DualOptim can significantly boost MU efficacy and stability across diverse tasks, including image classification, image generation, and large language models, making it a versatile approach to empower existing MU algorithms.

Graph heterophily, where connected nodes have different labels, has attracted significant interest recently. Most existing works adopt a simplified approach - using low-pass filters for homophilic graphs and high-pass filters for heterophilic graphs. However, we discover that the relationship between graph heterophily and spectral filters is more complex - the optimal filter response varies across frequency components and does not follow a strict monotonic correlation with heterophily degree. This finding challenges conventional fixed filter designs and suggests the need for adaptive filtering to preserve expressiveness in graph embeddings. Formally, natural questions arise: Given a heterophilic graph $\mathcal{G}$ , how and to what extent will the varying heterophily degree of $\mathcal{G}$ affect the performance of GNNs? How can we design adaptive filters to fit those varying heterophilic connections? Our theoretical analysis reveals that the average frequency response of GNNs and graph heterophily degree do not follow a strict monotonic correlation, necessitating adaptive graph filters to guarantee good generalization performance. Hence, we propose HeroFilter, a simple yet powerful GNN, which extracts information across the heterophily spectrum and combines salient representations through adaptive mixing. HeroFilter's superior performance achieves up to 9.2% accuracy improvement over leading baselines across homophilic and heterophilic graphs.

In federated learning (FL), models must \emph{converge quickly} under tight communication budgets while \emph{generalizing} across non-IID client distributions. These twin requirements have naturally led to two widely used techniques: client/server \emph{momentum} to accelerate progress, and \emph{sharpness-aware minimization} (SAM) to prefer flat solutions. However, simply combining momentum and SAM leaves two structural issues unresolved in non-IID FL. We identify and formalize two failure modes: \emph{local–global curvature misalignment} (local SAM directions need not reflect the global loss geometry) and \emph{momentum-echo oscillation} (late-stage instability caused by accumulated momentum). To our knowledge, these failure modes have not been jointly articulated and addressed in the FL literature. We propose \textbf{FedWMSAM} to address both failure modes. First, we construct a momentum-guided global perturbation from server-aggregated momentum to align clients' SAM directions with the global descent geometry, enabling a \emph{single-backprop} SAM approximation that preserves efficiency. Second, we couple momentum and SAM via a cosine-similarity adaptive rule, yielding an early-momentum, late-SAM two-phase training schedule. We provide a non-IID convergence bound that \emph{explicitly models the perturbation-induced variance} $\sigma_\rho^2=\sigma^2+(L\rho)^2$ and its dependence on $(S,K,R,N)$ on the theory side. We conduct extensive experiments on multiple datasets and model architectures, and the results validate the effectiveness, adaptability, and robustness of our method, demonstrating its superiority in addressing the optimization challenges of Federated Learning. Our code is available at \url{https://github.com/Li-Tian-Le/NeurlPS_FedWMSAM}.

Diffusion Models have demonstrated remarkable capabilities in handling inverse problems, offering high-quality posterior-sampling-based solutions. Despite significant advances, a fundamental trade-off persists regarding the way the conditioned synthesis is employed: Zero-shot approaches can accommodate any linear degradation but rely on approximations that reduce accuracy. In contrast, training-based methods model the posterior correctly, but cannot adapt to the degradation at test-time. Here we introduce InvFusion, the first training-based degradation-aware posterior sampler. InvFusion combines the best of both worlds - the strong performance of supervised approaches and the flexibility of zero-shot methods. This is achieved through a novel architectural design that seamlessly integrates the degradation operator directly into the diffusion denoiser. We compare InvFusion against existing general-purpose posterior samplers, both degradation-aware zero-shot techniques and blind training-based methods. Experiments on the FFHQ and ImageNet datasets demonstrate state-of-the-art performance. Beyond posterior sampling, we further demonstrate the applicability of our architecture, operating as a general Minimum Mean Square Error predictor, and as a Neural Posterior Principal Component estimator.

Image Auto-regressive (AR) models have emerged as a powerful paradigm of visual generative models. Despite their promising performance, they suffer from slow generation speed due to the large number of sampling steps required. Although Distilled Decoding 1 (DD1) was recently proposed to enable few-step sampling for image AR models, it still incurs significant performance degradation in the one-step setting, and relies on a pre-defined mapping that limits its flexibility. In this work, we propose a new method, Distilled Decoding 2 (DD2), to further advances the feasibility of one-step sampling for image AR models. Unlike DD1, DD2 does not without rely on a pre-defined mapping. We view the original AR model as a teacher model which provides the ground truth conditional score in the latent embedding space at each token position. Based on this, we propose a novel \emph{conditional score distillation loss} to train a one-step generator. Specifically, we train a separate network to predict the conditional score of the generated distribution and apply score distillation at every token position conditioned on previous tokens. Experimental results show that DD2 enables one-step sampling for image AR models with an minimal FID increase from 3.40 to 5.43 on ImageNet-256. Compared to the strongest baseline DD1, DD2 reduces the gap between the one-step sampling and original AR model by 67\%, with up to 12.3$\times$ training speed-up simultaneously. DD2 takes a significant step toward the goal of one-step AR generation, opening up new possibilities for fast and high-quality AR modeling. Code is available at https://github.com/imagination-research/Distilled-Decoding-2.

Vision-language-action (VLA) reasoning tasks require agents to interpret multimodal instructions, perform long-horizon planning, and act adaptively in dynamic environments. Existing approaches typically train VLA models in an end-to-end fashion, directly mapping inputs to actions without explicit reasoning, which hinders their ability to plan over multiple steps or adapt to complex task variations. In this paper, we propose ThinkAct, a dual-system framework that bridges high-level reasoning with low-level action execution via reinforced visual latent planning. ThinkAct trains a multimodal LLM to generate embodied reasoning plans guided by reinforcing action-aligned visual rewards based on goal completion and trajectory consistency. These reasoning plans are compressed into a visual plan latent that conditions a downstream action model for robust action execution on target environments. Extensive experiments on embodied reasoning and robot manipulation benchmarks demonstrate that ThinkAct enables few-shot adaptation, long-horizon planning, and self-correction behaviors in complex embodied AI tasks.

Foundation models have advanced computer vision by enabling strong performance across diverse tasks through large-scale pretraining and supervised fine-tuning. However, they may underperform in domains with distribution shifts and scarce labels, where supervised fine-tuning may be infeasible. While continued self-supervised learning for model adaptation is common for generative language models, this strategy has not proven effective for vision-centric encoder models. To address this challenge, we introduce a novel formulation of self-supervised fine-tuning for vision foundation models, where the model is adapted to a new domain without requiring annotations, leveraging only short multi-view object-centric videos. Our method is referred to as VESSA: **V**ideo-based obj**E**ct-centric **S**elf-**S**upervised **A**daptation for visual foundation models. VESSA's training technique is based on a self-distillation paradigm, where it is critical to carefully tune prediction heads and deploy parameter-efficient adaptation techniques – otherwise, the model may quickly forget its pretrained knowledge and reach a degraded state. VESSA benefits significantly from multi-view object observations sourced from different frames in an object-centric video, efficiently learning robustness to varied capture conditions, without the need of annotations. Through comprehensive experiments with 3 vision foundation models on 2 datasets, VESSA demonstrates consistent improvements in downstream classification tasks, compared to the base models and previous adaptation methods. Code is publicly available at https://github.com/jesimonbarreto/VESSA.

Using pre-trained models has been found to reduce the effect of data heterogeneity and speed up federated learning algorithms. Recent works have explored training-free methods using first- and second-order statistics to aggregate local client data distributions at the server and achieve high performance without any training. In this work, we propose a training-free method based on an unbiased estimator of class covariance matrices which only uses first-order statistics in the form of class means communicated by clients to the server. We show how these estimated class covariances can be used to initialize the global classifier, thus exploiting the covariances without actually sharing them. We also show that using only within-class covariances results in a better classifier initialization. Our approach improves performance in the range of 4-26% with exactly the same communication cost when compared to methods sharing only class means and achieves performance competitive or superior to methods sharing second-order statistics with dramatically less communication overhead. The proposed method is much more communication-efficient than federated prompt-tuning methods and still outperforms them. Finally, using our method to initialize classifiers and then performing federated fine-tuning or linear probing again yields better performance. Code is available at https://github.com/dipamgoswami/FedCOF.

We study the combinatorial semi-bandit problem where an agent selects a subset of base arms and receives individual feedback. While this generalizes the classical multi-armed bandit and has broad applicability, its scalability is limited by the high cost of combinatorial optimization, requiring oracle queries at *every* round. To tackle this, we propose oracle-efficient frameworks that significantly reduce oracle calls while maintaining tight regret guarantees. For worst-case linear rewards, our algorithms achieve $\tilde{O}(\sqrt{T})$ regret using only $O(\log\log T)$ oracle queries. We also propose covariance-adaptive algorithms that leverage noise structure for improved regret, and extend our approach to general (non-linear) rewards. Overall, our methods reduce oracle usage from linear to (doubly) logarithmic in time, with strong theoretical guarantees.

Recent advances in Large Language Models (LLMs) have spurred transformative applications in various domains, ranging from open-source to proprietary LLMs. However, jailbreak attacks, which aim to break safety alignment and user compliance by tricking the target LLMs into answering harmful and risky responses, are becoming an urgent concern. The practice of red-teaming for LLMs is to proactively explore potential risks and error-prone instances before the release of frontier AI technology. This paper proposes an agentic workflow to automate and scale the red-teaming process of LLMs through the Composition-of-Principles (CoP) framework, where human users provide a set of red-teaming principles as instructions to an AI agent to automatically orchestrate effective red-teaming strategies and generate jailbreak prompts. Distinct from existing red-teaming methods, our CoP framework provides a unified and extensible framework to encompass and orchestrate human-provided red-teaming principles to enable the automated discovery of new red-teaming strategies. When tested against leading LLMs, CoP reveals unprecedented safety risks by finding novel jailbreak prompts and improving the best-known single-turn attack success rate by up to 13.8 times.