NeurIPS 2025 Papers

Neural simulation-based inference (SBI) is a popular set of methods for Bayesian inference when models are only available in the form of a simulator. These methods are widely used in the sciences and engineering, where writing down a likelihood can be significantly more challenging than constructing a simulator. However, the performance of neural SBI can suffer when simulators are computationally expensive, thereby limiting the number of simulations that can be performed. In this paper, we propose a novel approach to neural SBI which leverages multilevel Monte Carlo techniques for settings where several simulators of varying cost and fidelity are available. We demonstrate through both theoretical analysis and extensive experiments that our method can significantly enhance the accuracy of SBI methods given a fixed computational budget.

We present LMFusion, a framework for empowering pretrained text-only large language models (LLMs) with multimodal generative capabilities, enabling them to understand and generate both text and images in arbitrary sequences. LMFusion leverages existing Llama-3's weights for processing texts autoregressively while introducing additional and parallel transformer modules for processing images with diffusion. During training, the data from each modality is routed to its dedicated modules: modality-specific feedforward layers, query-key-value projections, and normalization layers process each modality independently, while the shared self-attention layers allow interactions across text and image features. By freezing the text-specific modules and only training the image-specific modules, LMFusion preserves the language capabilities of text-only LLMs while developing strong visual understanding and generation abilities. Compared to methods that pretrain multimodal generative models from scratch, our experiments demonstrate that, LMFusion improves image understanding by 20% and image generation by 3.6% using only 50% of the FLOPs while maintaining Llama-3's language capabilities. We also demonstrate that this framework can adapt existing vision-language models with multimodal generation ability. Overall, this framework not only leverages existing computational investments in text-only LLMs but also enables the parallel development of language and vision capabilities, presenting a promising direction for efficient multimodal model development.

Diffusion LLMs have emerged as a promising alternative to conventional autoregressive LLMs, offering substantial potential for improving runtime efficiency. However, existing diffusion models fail to provably enforce user-specified formal constraints, such as regular expressions, which makes them unreliable for tasks that require structured outputs, such as fixed-schema JSON generation. Unlike autoregressive models, which generate tokens sequentially, diffusion LLMs predict a block of tokens in parallel. This parallelism makes traditional constrained decoding algorithms, designed to enforce constraints with sequential token prediction, ineffective at preserving the true output distribution. To address this limitation, we propose DINGO, a dynamic programming-based constrained decoding strategy that is both efficient and provably distribution-preserving. DINGO enables sampling of output strings with the highest probability under the model’s predicted distribution while strictly adhering to any user-specified regular expression. On standard symbolic math and JSON generation benchmarks, DINGO achieves up to a $68$\% points of improvement over unconstrained inference. The code is available at [**DINGO**](https://github.com/uiuc-focal-lab/DINGO).

Offline goal-conditioned reinforcement learning (GCRL) is a promising approach for pretraining generalist policies on large datasets of reward-free trajectories, akin to the self-supervised objectives used to train foundation models for computer vision and natural language processing. However, scaling GCRL to longer horizons remains challenging due to the combination of sparse rewards and discounting, which obscures the comparative advantages of primitive actions with respect to distant goals. Hierarchical RL methods achieve strong empirical results on long-horizon goal-reaching tasks, but their reliance on modular, timescale-specific policies and subgoal generation introduces significant additional complexity and hinders scaling to high-dimensional goal spaces. In this work, we introduce an algorithm to train a flat (non-hierarchical) goal-conditioned policy by bootstrapping on subgoal-conditioned policies with advantage-weighted importance sampling. Our approach eliminates the need for a generative model over the (sub)goal space, which we find is key for scaling to high-dimensional control in large state spaces. We further show that existing hierarchical and bootstrapping-based approaches correspond to specific design choices within our derivation. Across a comprehensive suite of state- and pixel-based locomotion and manipulation benchmarks, our method matches or surpasses state-of-the-art offline GCRL algorithms and scales to complex, long-horizon tasks where prior approaches fail. Project page: https://johnlyzhou.github.io/saw/

Existing acceleration techniques for video diffusion models often rely on uniform heuristics or time-embedding variants to skip timesteps and reuse cached features. These approaches typically require extensive calibration with curated prompts and risk inconsistent outputs due to prompt-specific overfitting. In this paper, we introduce a novel and robust discovery: a unified magnitude law observed across different models and prompts. Specifically, the magnitude ratio of successive residual outputs decreases monotonically, steadily in most timesteps while rapidly in the last several steps. Leveraging this insight, we introduce a Magnitude-aware Cache (MagCache) that adaptively skips unimportant timesteps using an error modeling mechanism and adaptive caching strategy. Unlike existing methods requiring dozens of curated samples for calibration, MagCache only requires a single sample for calibration. Experimental results show that MagCache achieves 2.10×-2.68× speedups on Open-Sora, CogVideoX, Wan 2.1, and HunyuanVideo, while preserving superior visual fidelity. It significantly outperforms existing methods in LPIPS, SSIM, and PSNR, under similar computational budgets.

Flow and diffusion-based models have emerged as powerful tools for scientific applications, particularly for sampling non-normalized probability distributions, as exemplified by Boltzmann Generators (BGs). A critical challenge in deploying these models is their reliance on sample likelihood computations, which scale prohibitively with system size $n$, often rendering them infeasible for large-scale problems. To address this, we introduce $\textit{HollowFlow}$, a flow-based generative model leveraging a novel non-backtracking graph neural network (NoBGNN). By enforcing a block-diagonal Jacobian structure, HollowFlow likelihoods are evaluated with a constant number of backward passes in $n$, yielding speed-ups of up to $\mathcal{O}(n^2)$: a significant step towards scaling BGs to larger systems. Crucially, our framework generalizes: $\textbf{any equivariant GNN or attention-based architecture}$ can be adapted into a NoBGNN. We validate HollowFlow by training BGs on two different systems of increasing size. For both systems, the sampling and likelihood evaluation time decreases dramatically, following our theoretical scaling laws. For the larger system we obtain a $10^2\times$ speed-up, clearly illustrating the potential of HollowFlow-based approaches for high-dimensional scientific problems previously hindered by computational bottlenecks.

As AI becomes more closely integrated with peoples' daily activities, socially intelligent AI that can understand and interact seamlessly with humans in daily lives is increasingly important. However, current works in AI social reasoning all rely on language-only or language-dominant approaches to benchmark and training models, resulting in systems that are improving in verbal communication but struggle with nonverbal social understanding. To address this limitation, we tap into a novel data source rich in nonverbal social interactions -- mime videos. Mimes refer to the art of expression through gesture and movement without spoken words, which presents unique challenges and opportunities in interpreting nonverbal social communication. We contribute a new dataset called MimeQA, obtained by sourcing ~8 hours of videos clips from YouTube and developing a comprehensive video question-answering benchmark comprising 806 carefully annotated and verified question-answer pairs, designed to probe nonverbal social reasoning capabilities. Using MimeQA, we evaluate state-of-the-art video large language models (VideoLLMs) and find that they achieve low accuracy, generally ranging from 20-30%, while humans score 86\%. Our analysis reveals that VideoLLMs often fail to ground imagined objects and over-rely on the text prompt while ignoring subtle nonverbal interactions. We hope to inspire future work in AI models that embody true social intelligence capable of interpreting non-verbal human interactions.

We propose the Distance-informed Neural Process (DNP), a novel variant of Neural Processes that improves uncertainty estimation by combining global and distance-aware local latent structures. Standard Neural Processes (NPs) often rely on a global latent variable and struggle with uncertainty calibration and capturing local data dependencies. DNP addresses these limitations by introducing a global latent variable to model task-level variations and a local latent variable to capture input similarity within a distance-preserving latent space. This is achieved through bi-Lipschitz regularization, which bounds distortions in input relationships and encourages the preservation of relative distances in the latent space. This modeling approach allows DNP to produce better-calibrated uncertainty estimates and more effectively distinguish in- from out-of-distribution data. Empirical results demonstrate that DNP achieves strong predictive performance and improved uncertainty calibration across regression and classification tasks.

Despite the significant potential of FP8 data formats for large language model (LLM) pre-training, their adoption has been limited due to challenges in maintaining stability at scale. Existing approaches often rely on suboptimal fine-grained FP8 kernels or fall back to higher-precision matrix multiplications (GEMMs) in sensitive components, such as attention projections, compromising potential throughput gains. We introduce a new class of LLM architectures that, for the first time, support FP8 computation for all GEMMs within transformer blocks during both forward and backward passes. This enables unprecedented throughput gains, particularly at scale, while matching the downstream performance of standard BF16 training. Our architecture design reduces large outlier activations, promoting stable long-term FP8 training. Additionally, we identify key metrics for monitoring low-precision training and predicting potential future divergences.

State space models (SSMs) have recently garnered significant attention in computer vision. However, due to the unique characteristics of image data, adapting SSMs from natural language processing to computer vision has not outperformed the state-of-the-art convolutional neural networks (CNNs) and Vision Transformers (ViTs). Existing vision SSMs primarily leverage manually designed scans to flatten image patches into sequences locally or globally. This approach disrupts the original semantic spatial adjacency of the image and lacks flexibility, making it difficult to capture complex image structures. To address this limitation, we propose Dynamic Adaptive Scan (DAS), a data-driven method that adaptively allocates scanning orders and regions. This enables more flexible modeling capabilities while maintaining linear computational complexity and global modeling capacity. Based on DAS, we further propose the vision backbone DAMamba, which significantly outperforms popular vision Mamba models in vision tasks such as image classification, object detection, instance segmentation, and semantic segmentation. Notably, it surpasses some of the latest state-of-the-art CNNs and ViTs.

Does vision-and-language (VL) training change the linguistic representations of language models in meaningful ways? In terms of downstream task performance on text-only tasks, most results in the literature have shown marginal differences. In this work, we start from the hypothesis that the domain in which VL training could have a significant effect is lexical-conceptual knowledge, in particular its taxonomic organization. Through comparing minimal pairs of text-only LMs and their VL-trained counterparts, we first show that the VL models often outperform their text-only counterparts on a text-only question-answering task that requires taxonomic understanding of concepts mentioned in the questions. Using an array of targeted behavioral and representational analyses, we show that the LMs and VLMs do not differ significantly in terms of their taxonomic knowledge itself, but they differ in how they represent questions that contain concepts in a taxonomic relation vs. a non-taxonomic relation. This implies that the taxonomic knowledge itself does not change substantially through additional VL training, but VL training does improve the deployment of this knowledge in the context of a specific task, even when the presentation of the task is purely linguistic.

The loss landscapes of neural networks contain minima and saddle points that may be connected in flat regions or appear in isolation. We identify and characterize a special structure in the loss landscape: channels along which the loss decreases extremely slowly, while the output weights of at least two neurons, $a_i$ and $a_j$, diverge to $\pm$infinity, and their input weight vectors, $\mathbf{w_i}$ and $\mathbf{w_j}$, become equal to each other. At convergence, the two neurons implement a gated linear unit: $a_i\sigma(\mathbf{w_i} \cdot \mathbf{x}) + a_j\sigma(\mathbf{w_j} \cdot \mathbf{x}) \rightarrow c \sigma(\mathbf{w} \cdot \mathbf{x}) + (\mathbf{v} \cdot \mathbf{x}) \sigma'(\mathbf{w} \cdot \mathbf{x})$. Geometrically, these channels to infinity are asymptotically parallel to symmetry-induced lines of critical points. Gradient flow solvers, and related optimization methods like SGD or ADAM, reach the channels with high probability in diverse regression settings, but without careful inspection they look like flat local minima with finite parameter values. Our characterization provides a comprehensive picture of this quasi-flat region in terms of gradient dynamics, geometry, and functional interpretation. The emergence of gated linear units at the end of the channels highlights a surprising aspect of the computational capabilities of fully connected layers.

Data valuation quantifies the impact of individual data points on model performance, and Shapley values provide a principled approach to this important task due to their desirable axiomatic properties, albeit with high computational complexity. Recent breakthroughs have enabled fast computation of exact Shapley values for unweighted $k$-nearest neighbor ($k$NN) classifiers. However, extending this to weighted $k$NN models has remained a significant open challenge. The state-of-the-art methods either require quadratic time complexity or resort to approximation via sampling. In this paper, we show that a conceptually simple but overlooked approach --- data duplication --- can be applied to this problem, yielding a natural variant of weighted $k$NN-Shapley. However, a straightforward application of the data-duplication idea leads to increased data size and prohibitive computational and memory costs. We develop an efficient algorithm that avoids materializing the duplicated dataset by exploiting the structural properties of weighted $k$NN models, reducing the complexity to near-linear time in the original data size. Besides, we establish theoretical foundations for this approach through axiomatic characterization of the resulting values, and empirically validate the effectiveness and efficiency of our method.

Foundation models trained on web-scale data have revolutionized robotics, but their application to low-level control remains largely limited to behavioral cloning. Drawing inspiration from the success of the reinforcement learning stage in fine-tuning large language models, we propose a two-stage post-training approach for robotics. The first stage, Supervised Fine-Tuning (SFT), fine-tunes pretrained foundation models using both: a) behavioral cloning, and b) steps-to-go prediction objectives. In the second stage, Self-Improvement, steps-to-go prediction enables the extraction of a well-shaped reward function and a robust success detector, enabling a fleet of robots to autonomously practice downstream tasks with minimal human supervision. Through extensive experiments on real-world and simulated robot embodiments, our novel post-training recipe unveils significant results on Embodied Foundation Models. First, we demonstrate that the combination of SFT and Self-Improvement is significantly more sample-efficient than scaling imitation data collection for supervised learning, and that it leads to policies with significantly higher success rates. Further ablations highlight that the combination of web-scale pretraining and Self-Improvement is the key to this sample-efficiency. Next, we demonstrate that our proposed combination uniquely unlocks a capability that current methods cannot achieve: autonomously practicing and acquiring novel skills that generalize far beyond the behaviors observed in the imitation learning datasets used during training. These findings highlight the transformative potential of combining pretrained foundation models with online Self-Improvement to enable autonomous skill acquisition in robotics.

Estimating the density of a distribution from its samples is a fundamental problem in statistics. \emph{Hypothesis selection} addresses the setting where, in addition to a sample set, we are given $n$ candidate distributions---referred to as \emph{hypotheses}---and the goal is to determine which one best describes the underlying data distribution. This problem is known to be solvable very efficiently, requiring roughly $O(\log n)$ samples and running in $\tilde{O}(n)$ time. The quality of the output is measured via the total variation distance to the unknown distribution, and the approximation factor of the algorithm determines how large this distance is compared to the optimal distance achieved by the best candidate hypothesis. It is known that $\alpha = 3$ is the optimal approximation factor for this problem. We study hypothesis selection under the constraint of \emph{differential privacy}. We propose a differentially private algorithm in the central model that runs in nearly linear time with respect to the number of hypotheses, achieves the optimal approximation factor, and incurs only a modest increase in sample complexity, which remains polylogarithmic in $n$. This resolves an open question posed by [Bun, Kamath, Steinke, Wu, NeurIPS 2019]. Prior to our work, existing upper bounds required quadratic time.

Grounding language in perception and action is a key challenge when building situated agents that can interact with humans, or other agents, via language. In the past, addressing this challenge has required manually designing the language grounding or curating massive datasets that associate language with the environment. We propose Ground-Compose-Reinforce, an end-to-end, neurosymbolic framework for training RL agents directly from high-level task specifications—without manually designed reward functions or other domain-specific oracles, and without massive datasets. These task specifications take the form of Reward Machines, automata-based representations that capture high-level task structure and are in some cases autoformalizable from natural language. Critically, we show that Reward Machines can be grounded using limited data by exploiting compositionality. Experiments in a custom Meta-World domain with only 350 labelled pretraining trajectories show that our framework faithfully elicits complex behaviours from high-level specifications—including behaviours that never appear in pretraining—while non-compositional approaches fail.

Open-Vocabulary semantic segmentation (OVSS) and domain generalization in semantic segmentation (DGSS) highlight a subtle complementarity that motivates Open-Vocabulary Domain-Generalized Semantic Segmentation (OV-DGSS). OV-DGSS aims to generate pixel-level masks for unseen categories while maintaining robustness across unseen domains, a critical capability for real-world scenarios such as autonomous driving in adverse conditions. We introduce Vireo, a novel single-stage framework for OV-DGSS that unifies the strengths of OVSS and DGSS for the first time. Vireo builds upon the frozen Visual Foundation Models (VFMs) and incorporates scene geometry via Depth VFMs to extract domain-invariant structural features. To bridge the gap between visual and textual modalities under domain shift, we propose three key components: (1) GeoText Query, which align geometric features with language cues and progressively refine VFM encoder representations; (2) Coarse Mask Prior Embedding (CMPE) for enhancing gradient flow for faster convergence and stronger textual influence; and (3) the Domain-Open-Vocabulary Vector Embedding Head (DOV-VEH), which fuses refined structural and semantic features for robust prediction. Comprehensive evaluation on these components demonstrates the effectiveness of our designs. Our proposed Vireo achieves the state-of-the-art performance and surpasses existing methods by a large margin in both domain generalization and open-vocabulary recognition, offering a unified and scalable solution for robust visual understanding in diverse and dynamic environments. Code is available at https://github.com/SY-Ch/Vireo.

This paper introduces the Convex Potential Mirror Langevin Algorithm (CPMLA), a novel method to improve sampling efficiency for Energy-Based Models (EBMs). CPMLA uses mirror Langevin dynamics with a convex potential flow as a dynamic mirror map for EBM sampling. This dynamic mirror map enables targeted geometric exploration on the data manifold, accelerating convergence to the target distribution. Theoretical analysis proves that CPMLA achieves exponential convergence with vanishing bias under relaxed log-concave conditions, supporting its efficiency in adapting to complex data distributions. Experiments on benchmarks like CIFAR-10, SVHN, and CelebA demonstrate CPMLA's improved sampling quality and inference efficiency over existing techniques.

We study the multi-armed bandit problem with adversarially chosen delays in the Best-of-Both-Worlds (BoBW) framework, which aims to achieve near-optimal performance in both stochastic and adversarial environments. While prior work has made progress toward this goal, existing algorithms suffer from significant gaps to the known lower bounds, especially in the stochastic settings. Our main contribution is a new algorithm that, up to logarithmic factors, matches the known lower bounds in each setting individually. In the adversarial case, our algorithm achieves regret of $\widetilde{O}(\sqrt{KT} + \sqrt{D})$, which is optimal up to logarithmic terms, where $T$ is the number of rounds, $K$ is the number of arms, and $D$ is the cumulative delay. In the stochastic case, we provide a regret bound which scale as $\sum_{i:\Delta_i>0}(\log T/\Delta_i) + \frac{1}{K}\sum \Delta_i \sigma_{max}$, where $\Delta_i$ is the suboptimality gap of arm $i$ and $\sigma_{\max}$ is the maximum number of missing observations. To the best of our knowledge, this is the first BoBW algorithm to simultaneously match the lower bounds in both stochastic and adversarial regimes. Moreover, even beyond the BoBW setting, our stochastic regret bound is the first to match the known lower bound under adversarial delays, improving the second term over the best known result by a factor of $K$.