NeurIPS 2025 Papers

Conformal Prediction (CP) is a powerful statistical machine learning tool to construct uncertainty sets with coverage guarantees, which has fueled its extensive adoption in generating prediction regions for decision-making tasks, e.g., Trajectory Optimization (TO) in uncertain environments. However, existing methods predominantly employ a sequential scheme, where decisions rely unidirectionally on the prediction regions, and consequently the information from decision-making fails to be fed back to instruct CP. In this paper, we propose a novel Feedback-Based CP (Fb-CP) framework for shrinking-horizon TO with a joint risk constraint over the entire mission time. Specifically, a CP-based posterior risk calculation method is developed by fully leveraging the realized trajectories to adjust the posterior allowable risk, which is then allocated to future times to update prediction regions. In this way, the information in the realized trajectories is continuously fed back to the CP, enabling attractive feedback-based adjustments of the prediction regions and a provable online improvement in trajectory performance. Furthermore, we theoretically prove that such adjustments consistently maintain the coverage guarantees of the prediction regions, thereby ensuring provable safety. Additionally, we develop a decision-focused iterative risk allocation algorithm with theoretical convergence analysis for allocating the posterior allowable risk which closely aligns with Fb-CP. Furthermore, we extend the proposed method to handle distribution shift. The effectiveness and superiority of the proposed method are demonstrated through benchmark experiments.

Diffusion models are increasingly deployed in real-world text-to-image services. These models, however, encode implicit assumptions about the world based on web-scraped image-caption pairs used during training. Over time, such assumptions may become outdated, incorrect, or socially biased--leading to failures where the generated images misalign with users' expectations or evolving societal norms. Identifying and fixing such failures is challenging and, thus, a valuable asset for service providers, as failures often emerge post-deployment and demand specialized expertise and resources to resolve them. In this work, we introduce $\textit{SURE}$, the first end‑to‑end framework that $\textbf{S}$ec$\textbf{U}$rely $\textbf{RE}$pairs failures flagged by users of diffusion-based services. $\textit{SURE}$ enables the service provider to securely collaborate with an external third-party specialized in model repairing (i.e., Model Repair Institute) without compromising the confidentiality of user feedback, the service provider’s proprietary model, or the Model Repair Institute’s proprietary repairing knowledge. To achieve the best possible efficiency, we propose a co-design of a model editing algorithm with a customized two-party cryptographic protocol. Our experiments show that $\textit{SURE}$ is highly practical: $\textit{SURE}$ securely and effectively repairs all 32 layers of {Stable Diffusion v1.4} in under 17 seconds (four orders of magnitude more efficient than a general baseline). Our results demonstrate that practical, secure model repair is attainable for large-scale, modern diffusion services.

Conditional decision generation with diffusion models has shown powerful competitiveness in reinforcement learning (RL). Recent studies reveal the relation between energy-function-guidance diffusion models and constrained RL problems. The main challenge lies in estimating the intermediate energy, which is intractable due to the log-expectation formulation during the generation process. To address this issue, we propose the Analytic Energy-guided Policy Optimization (AEPO). Specifically, we first provide a theoretical analysis and the closed-form solution of the intermediate guidance when the diffusion model obeys the conditional Gaussian transformation. Then, we analyze the posterior Gaussian distribution in the log-expectation formulation and obtain the target estimation of the log-expectation under mild assumptions. Finally, we train an intermediate energy neural network to approach the target estimation of log-expectation formulation. We apply our method in 30+ offline RL tasks to demonstrate the effectiveness of our method. Extensive experiments illustrate that our method surpasses numerous representative baselines in D4RL offline reinforcement learning benchmarks.

Neural collapse, i.e., the emergence of highly symmetric, class-wise clustered representations, is frequently observed in deep networks and is often assumed to reflect or enable generalization. In parallel, flatness of the loss landscape has been theoretically and empirically linked to generalization. Yet, the causal role of either phenomenon remains unclear: Are they prerequisites for generalization, or merely by-products of training dynamics? We disentangle these questions using grokking, a training regime in which memorization precedes generalization, allowing us to temporally separate generalization from training dynamics and we find that while both neural collapse and relative flatness emerge near the onset of generalization, only flatness consistently predicts it. Models encouraged to collapse or prevented from collapsing generalize equally well, whereas models regularized away from flat solutions exhibit delayed generalization, resembling grokking, even in architectures and datasets where it does not typically occur. Furthermore, we show theoretically that neural collapse leads to relative flatness under classical assumptions, explaining their empirical co-occurrence. Our results support the view that relative flatness is a potentially necessary and more fundamental property for generalization, and demonstrate how grokking can serve as a powerful probe for isolating its geometric underpinnings.

Conventional wisdom attributes the mysterious generalization abilities of overparameterized neural networks to gradient descent (and its variants). The recent volume hypothesis challenges this view: it posits that these generalization abilities persist even when gradient descent is replaced by Guess & Check (G&C), i.e., by randomly drawing weight settings until one that fits the training data is found. The validity of the volume hypothesis for wide and deep neural networks remains an open question. In this paper, we theoretically investigate this question for matrix factorization (with linear and non-linear activation): a canonical testbed in neural network theory. We first prove that generalization under G&C deteriorates with increasing width, establishing what is, to our knowledge, the first canonical case where G&C is provably inferior to gradient descent. Conversely, we prove that generalization under G&C improves with increasing depth, revealing a stark contrast between wide and deep networks, which we further validate empirically. These findings suggest that even in simple settings, there may not be a simple answer to the question of whether neural networks need gradient descent to generalize well.

A recent study has proposed the ``Master Key Filters Hypothesis" for convolutional neural network filters. This paper extends this hypothesis by radically constraining its scope to a single set of just 8 universal filters that depthwise separable convolutional networks inherently converge to. While conventional DS-CNNs employ thousands of distinct trained filters, our analysis reveals these filters are predominantly linear shifts (ax+b) of our discovered universal set. Through systematic unsupervised search, we extracted these fundamental patterns across different architectures and datasets. Remarkably, networks initialized with these 8 unique frozen filters achieve over 80\% ImageNet accuracy, and even outperform models with thousands of trainable parameters when applied to smaller datasets. The identified master key filters closely match Difference of Gaussians (DoGs), Gaussians, and their derivatives, structures that are not only fundamental to classical image processing but also strikingly similar to receptive fields in mammalian visual systems. Our findings provide compelling evidence that depthwise convolutional layers naturally gravitate toward this fundamental set of spatial operators regardless of task or architecture. This work offers new insights for understanding generalization and transfer learning through the universal language of these master key filters.

We introduce Filter Like You Test (FLYT), an algorithm for curating large-scale vision-language datasets that *learns* the usefulness of each data point as a pretraining example. FLYT trains a scoring model that learns to weigh each example's features using gradient signals from downstream tasks training sets. Based on FLYT, we implement Mixing-FLYT (M-FLYT), which takes the per-example scores generated by different scoring methods as features, and learns to unify them into a single score. FLYT naturally produces a distribution over the training examples, which we leverage through Soft Cap Sampling (SCS), a strategy for obtaining a filtered pretraining dataset from per-example probabilities that samples examples while preventing over-representation through a repetition penalty. Using these methods, we achieve 40.1\% ImageNet zero-shot accuracy on the DataComp medium scale filtering benchmark, a 2\% absolute accuracy increase over all previous results and a 5.5\% increase over results that---like us---use only public resources. Our approach also yields 37.7\% on the average of 38 DataComp evaluation tasks, outperforming previous public-resource approaches by 0.4\%.

Continual learning (CL), which requires the model to learn multiple tasks sequentially, is crucial for large language models (LLMs). Recently, low-rank adaptation (LoRA), one of the most representative parameter-efficient fine-tuning (PEFT) methods, has gained increasing attention in CL of LLMs. However, most existing CL methods based on LoRA typically expand a new LoRA branch to learn each new task and force the new and old LoRA branches to influence old tasks equally, potentially leading to forgetting. In this work, we propose a new method, called gated integration of low-rank adaptation (GainLoRA), for CL of LLMs. GainLoRA expands a new LoRA branch for each new task and introduces gating modules to integrate the new and old LoRA branches. Furthermore, GainLoRA leverages the new gating module to minimize the influence from the new LoRA branch to old tasks, effectively mitigating forgetting and improving the model's overall performance. Experimental results on CL benchmarks demonstrate that GainLoRA outperforms existing state-of-the-art methods.

Marked Temporal Point Process (MTPP) has been well studied to model the event distribution in marked event streams, which can be used to predict the mark and arrival time of the next event. However, existing studies overlook that the distribution of event marks is highly imbalanced in many real-world applications, with some marks being frequent but others rare. The imbalance poses a significant challenge to the performance of the next event prediction, especially for events of rare marks. To address this issue, we propose a thresholding method, which learns thresholds to tune the mark probability normalized by the mark's prior probability to optimize mark prediction, rather than predicting the mark directly based on the mark probability as in existing studies. In conjunction with this method, we predict the mark first and then the time. In particular, we develop a novel neural Marked Temporal Point Process (MTPP) model to support effective time sampling and estimation of mark probability without computationally expensive numerical improper integration. Extensive experiments on real-world datasets demonstrate the superior performance of our solution against various baselines for the next event mark and time prediction. The code is available at https://github.com/undes1red/IFNMTPP.

Unified vision-language models have made significant progress in multimodal understanding and generation, yet they largely fall short in producing multimodal interleaved outputs, which is a crucial capability for tasks like visual storytelling and step-by-step visual reasoning. In this work, we propose a reinforcement learning-based post-training strategy to unlock this capability in existing unified models, without relying on large-scale multimodal interleaved datasets. We begin with a warm-up stage using a hybrid dataset comprising curated interleaved sequences and limited data for multimodal understanding and text-to-image generation, which exposes the model to interleaved generation patterns while preserving its pretrained capabilities. To further refine interleaved generation, we propose a unified policy optimization framework that extends Group Relative Policy Optimization (GRPO) to the multimodal setting. Our approach jointly models text and image generation within a single decoding trajectory and optimizes it with our novel hybrid rewards covering textual relevance, visual-text alignment, and structural fidelity. Additionally, we incorporate process-level rewards to provide step-wise guidance, enhancing training efficiency in complex multimodal tasks. Experiments on MMIE and InterleavedBench demonstrate that our approach significantly enhances the quality and coherence of multimodal interleaved generation.

Estimating associations between spatial covariates and responses — rather than merely predicting responses — is central to environmental science, epidemiology, and economics. For instance, public health officials might be interested in whether air pollution has a strictly positive association with a health outcome, and the magnitude of any effect. Standard machine learning methods often provide accurate predictions but offer limited insight into covariate-response relationships. And we show that existing methods for constructing confidence (or credible) intervals for associations can fail to provide nominal coverage in the face of model misspecification and nonrandom locations — despite both being essentially always present in spatial problems. We introduce a method that constructs valid frequentist confidence intervals for associations in spatial settings. Our method requires minimal assumptions beyond a form of spatial smoothness and a homoskedastic Gaussian error assumption. In particular, we do not require model correctness or covariate overlap between training and target locations. Our approach is the first to guarantee nominal coverage in this setting and outperforms existing techniques in both real and simulated experiments. Our confidence intervals are valid in finite samples when the noise of the Gaussian error is known, and we provide an asymptotically consistent estimation procedure for this noise variance when it is unknown.

Generative models are spearheading recent progress in deep learning, showcasing strong promise for trajectory sampling in dynamical systems as well. However, whereas latent space modeling paradigms have transformed image and video generation, similar approaches are more difficult for most dynamical systems. Such systems -- from chemical molecule structures to collective human behavior -- are described by interactions of entities, making them inherently linked to connectivity patterns, entity conservation, and the traceability of entities over time. Our approach, LaM-SLidE (Latent Space Modeling of Spatial Dynamical Systems via Linked Entities), bridges the gap between: (1) keeping the traceability of individual entities in a latent system representation, and (2) leveraging the efficiency and scalability of recent advances in image and video generation, where pre-trained encoder and decoder enable generative modeling directly in latent space. The core idea of LaM-SLidE is the introduction of identifier representations (IDs) that enable the retrieval of entity properties and entity composition from latent system representations, thus fostering traceability. Experimentally, across different domains, we show that LaM-SLidE performs favorably in terms of speed, accuracy, and generalizability. Code is available at https://github.com/ml-jku/LaM-SLidE.

Predicting human eye movements during goal-directed visual search is critical for enhancing interactive AI systems. In medical imaging, such prediction can support radiologists in interpreting complex data, such as chest X-rays. Many existing methods rely on generic vision--language models and saliency-based features, which can limit their ability to capture fine-grained clinical semantics and integrate domain knowledge effectively. We present \textbf{LogitGaze-Med}, a state-of-the-art multimodal transformer framework that unifies (1) domain-specific visual encoders (e.g., CheXNet), (2) textual embeddings of diagnostic labels, and (3) semantic priors extracted via the logit-lens from an instruction-tuned medical vision--language model (LLaVA-Med). By directly predicting continuous fixation coordinates and dwell durations, our model generates clinically meaningful scanpaths. Experiments on the GazeSearch dataset and synthetic scanpaths generated from MIMIC-CXR and validated by experts demonstrate that LogitGaze-Med improves scanpath similarity metrics by 20--30\% over competitive baselines and yields over 5\% gains in downstream pathology classification when incorporating predicted fixations as additional training data.

The biological implausibility of backpropagation (BP) has motivated many alternative, brain-inspired algorithms that attempt to rely only on local information, such as predictive coding (PC) and equilibrium propagation. However, these algorithms have notoriously struggled to train very deep networks, preventing them from competing with BP in large-scale settings. Indeed, scaling PC networks (PCNs) has recently been posed as a challenge for the community (Pinchetti et al., 2024). Here, we show that 100+ layer PCNs can be trained reliably using a Depth-$\mu$P parameterisation (Yang et al., 2023; Bordelon et al., 2023) which we call "$\mu$PC". By analysing the scaling behaviour of PCNs, we reveal several pathologies that make standard PCNs difficult to train at large depths. We then show that, despite addressing only some of these instabilities, $\mu$PC allows stable training of very deep (up to 128-layer) residual networks on simple classification tasks with competitive performance and little tuning compared to current benchmarks. Moreover, $\mu$PC enables zero-shot transfer of both weight and activity learning rates across widths and depths. Our results serve as a first step towards scaling PC to more complex architectures and have implications for other local algorithms. Code for $\mu$PC is made available as part of a JAX library for PCNs.

Rectified flow models have become a $\textit{de facto}$ standard in image generation due to their stable sampling trajectories and high-fidelity outputs. Despite their strong generative capabilities, they face critical limitations in image editing tasks: inaccurate inversion processes for mapping real images back into the latent space, and gradient entanglement issues during editing often result in outputs that do not faithfully reflect the target prompt. Recent efforts have attempted to directly map source and target distributions via ODE-based approaches without inversion; however, these methods still yield suboptimal editing quality. In this work, we propose a flow decomposition-and-aggregation framework built upon an inversion-free formulation to address these limitations. Specifically, we semantically decompose the target prompt into multiple sub-prompts, compute an independent flow for each, and aggregate them to form a unified editing trajectory. While we empirically observe that decomposing the original flow enhances diversity in the target space, generating semantically aligned outputs still requires consistent guidance toward the full target prompt. To this end, we design a projection and soft-aggregation mechanism for flow, inspired by gradient conflict resolution in multi-task learning. This approach adaptively weights the sub-target velocity fields, suppressing semantic redundancy while emphasizing distinct directions, thereby preserving both diversity and consistency in the final edited output. Experimental results demonstrate that our method outperforms existing zero-shot editing approaches in terms of semantic fidelity and attribute disentanglement. The code is available at https://github.com/Harvard-AI-and-Robotics-Lab/SplitFlow.

Recent advancements have explored text-to-image diffusion models for synthesizing out-of-distribution (OOD) samples, substantially enhancing the performance of OOD detection. However, existing approaches typically rely on perturbing text-conditioned embeddings, resulting in semantic instability and insufficient shift diversity, which limit generalization to realistic OOD. To address these challenges, we propose GOOD, a novel and flexible framework that directly guides diffusion sampling trajectories towards OOD regions using off-the-shelf in-distribution (ID) classifiers. GOOD incorporates dual-level guidance: (1) Image-level guidance based on the gradient of log partition to reduce input likelihood, drives samples toward low-density regions in pixel space. (2) Feature-level guidance, derived from k-NN distance in the classifier’s latent space, promotes sampling in feature-sparse regions. Hence, this dual-guidance design enables more controllable and diverse OOD sample generation. Additionally, we introduce a unified OOD score that adaptively combines image and feature discrepancies, enhancing detection robustness. We perform thorough quantitative and qualitative analyses to evaluate the effectiveness of GOOD, demonstrating that training with samples generated by GOOD can notably enhance OOD detection performance.

Tabular datasets are inherently heterogeneous, presenting significant challenges for developing pre-trained foundation models. The recently introduced transformer-based Tabular Prior-data Fitted Network v2 (TabPFN v2) achieves unprecedented *in-context learning* performance across diverse downstream datasets, marking a pivotal advancement in tabular foundation models. In this paper, we take a closer look at TabPFN v2 to examine how it effectively handles heterogeneity and achieves high predictive accuracy, and to explore how its limitations in high-dimensional, many-category, and large-scale tasks can be mitigated. We find that TabPFN v2 can infer attribute relationships even when provided with randomized attribute token inputs, eliminating the need to explicitly learn dataset-specific attribute embeddings to address heterogeneity. We further show that TabPFN v2 can be transformed into a feature extractor, revealing its ability to construct a highly separable feature space for accurate predictions. Lastly, we demonstrate that TabPFN v2's limitations can be addressed through a test-time divide-and-conquer strategy, enabling scalable inference without requiring re-training. By uncovering the mechanisms behind TabPFN v2's success and introducing strategies to extend its applicability, this study offers key insights into the design of future tabular foundation models.

360 video captures the complete surrounding scenes with the ultra-large field of view of 360x180. This makes 360 scene understanding tasks, *e.g.*, segmentation and tracking, crucial for appications, such as autonomous driving, robotics. With the recent emergence of foundation models, the community is, however, impeded by the lack of large-scale, labelled real-world datasets. This is caused by the inherent spherical properties, *e.g.*, severe distortion in polar regions, and content discontinuities, rendering the annotation costly yet complex. This paper introduces **Leader360V**, the **first** large-scale (10K+), labeled real-world 360 video datasets for instance segmentation and tracking. Our datasets enjoy high scene diversity, ranging from indoor and urban settings to natural and dynamic outdoor scenes. To automate annotation, we design an automatic labeling pipeline, which subtly coordinates pre-trained 2D segmentors and large language models (LLMs) to facilitate the labeling. The pipeline operates in three novel stages. Specifically, in the **Initial Annotation Phase**, we introduce a Semantic- and Distortion-aware Refinement (**SDR**) module, which combines object mask proposals from multiple 2D segmentors with LLM-verified semantic labels. These are then converted into mask prompts to guide SAM2 in generating distortion-aware masks for subsequent frames. In the **Auto-Refine Annotation Phase**, missing or incomplete regions are corrected either by applying the SDR again or resolving the discontinuities near the horizontal borders. The **Manual Revision Phase** finally incorporates LLMs and human annotators to further refine and validate the annotations. Extensive user studies and evaluations demonstrate the effectiveness of our labeling pipeline. Meanwhile, experiments confirm that Leader360V significantly enhances model performance for 360 video segmentation and tracking, paving the way for more scalable 360 scene understanding. We release our dataset and code at {https://leader360v.github.io/Leader360V\_HomePage/} for better understanding.

As Deep Reinforcement Learning (Deep RL) research moves towards solving large-scale worlds, efficient environment simulations become crucial for rapid experimentation. However, most existing environments struggle to scale to high throughput, setting back meaningful progress. Interactions are typically computed on the CPU, limiting training speed and throughput, due to slower computation and communication overhead when distributing the task across multiple machines. Ultimately, Deep RL training is CPU-bound, and developing batched, fast, and scalable environments has become a frontier for progress. Among the most used Reinforcement Learning (RL) environments, MiniGrid is at the foundation of several studies on exploration, curriculum learning, representation learning, diversity, meta-learning, credit assignment, and language-conditioned RL, and still suffers from the limitations described above. In this work, we introduce NAVIX, a re-implementation of MiniGrid in JAX. NAVIX achieves over $160\,000\times$ speed improvements in batch mode, supporting up to 2048 agents in parallel on a single Nvidia A100 80 GB. This reduces experiment times from one week to 15 minutes, promoting faster design iterations and more scalable RL model development.