NeurIPS 2025 Papers

Emerging world models autoregressively generate video frames in response to actions, such as camera movements and text prompts, among other control signals. Due to limited temporal context window sizes, these models often struggle to maintain scene consistency during revisits, leading to severe forgetting of previously generated environments. Inspired by the mechanisms of human memory, we introduce a novel framework to enhancing long-term consistency of video world models through a geometry-grounded long-term spatial memory. Our framework includes mechanisms to store and retrieve information from the long-term spatial memory and we curate custom datasets to train and evaluate world models with explicitly stored 3D memory mechanisms. Our evaluations show improved quality, consistency, and context length compared to relevant baselines, paving the way towards long-term consistent world generation.

Designing models that can learn to reason in a systematic way is an important and long-standing challenge. In recent years, a wide range of solutions have been proposed for the specific case of systematic relational reasoning, including Neuro-Symbolic approaches, variants of the Transformer architecture, and specialized Graph Neural Networks. However, existing benchmarks for systematic relational reasoning focus on an overly simplified setting, based on the assumption that reasoning can be reduced to composing relational paths. In fact, this assumption is hard-baked into the architecture of several recent models, leading to approaches that can perform well on existing benchmarks but are difficult to generalize to other settings. To support further progress in the field of systematic relational reasoning with neural networks, we introduce a new benchmark that adds several levels of difficulty, requiring models to go beyond path-based reasoning.

The very challenging task of learning solution operators of PDEs on arbitrary domains accurately and efficiently is of vital importance to engineering and industrial simulations. Despite the existence of many operator learning algorithms to approximate such PDEs, we find that accurate models are not necessarily computationally efficient and vice versa. We address this issue by proposing a geometry aware operator transformer (GAOT) for learning PDEs on arbitrary domains. GAOT combines novel multiscale attentional graph neural operator encoders and decoders, together with geometry embeddings and (vision) transformer processors to accurately map information about the domain and the inputs into a robust approximation of the PDE solution. Multiple innovations in the implementation of GAOT also ensure computational efficiency and scalability. We demonstrate this significant gain in both accuracy and efficiency of GAOT over several baselines on a large number of learning tasks from a diverse set of PDEs, including achieving state of the art performance on three large scale three-dimensional industrial CFD datasets. Our project page for accessing the source code is available at https://camlab-ethz.github.io/GAOT.

Continual Test-Time Adaptation (CTTA) aims to online adapt a pre-trained model to changing environments during inference. Most existing methods focus on exploiting target data, while overlooking another crucial source of information, the pre-trained weights, which encode underutilized domain-invariant priors. This paper takes the geometric attributes of pre-trained weights as a starting point, systematically analyzing three key components: magnitude, absolute angle, and pairwise angular structure. We find that the pairwise angular structure remains stable across diverse corrupted domains and encodes domain-invariant semantic information, suggesting it should be preserved during adaptation. Based on this insight, we propose PAID (Pairwise Angular Invariant Decomposition), a prior-driven CTTA method that decomposes weight into magnitude and direction, and introduces a learnable orthogonal matrix via Householder reflections to globally rotate direction while preserving the pairwise angular structure. During adaptation, only the magnitudes and the orthogonal matrices are updated. PAID achieves consistent improvements over recent SOTA methods on four widely used CTTA benchmarks, demonstrating that preserving pairwise angular structure offers a simple yet effective principle for CTTA. Our code is available at https://github.com/wangkunyu241/PAID.

Model merging has emerged as a promising technique for enhancing large language models, though its application in large-scale pre-training remains relatively unexplored. In this paper, we present a comprehensive investigation of model merging techniques during the pre-training process. Through extensive experiments with both dense and Mixture-of-Experts (MoE) architectures ranging from millions to over 100 billion parameters, we demonstrate that merging checkpoints trained with constant learning rates not only achieves significant performance improvements but also enables accurate prediction of annealing behavior. These improvements lead to both more efficient model development and significantly lower training costs. Our detailed ablation studies on merging strategies and hyperparameters provide new insights into the underlying mechanisms while uncovering novel applications. Through comprehensive experimental analysis, we offer the open-source community practical pre-training guidelines for effective model merging.

Designing analog circuits from performance specifications is a complex, multi-stage process encompassing topology selection, parameter inference, and layout feasibility. We introduce FALCON, a unified machine learning framework that enables fully automated, specification-driven analog circuit synthesis through topology selection and layout-constrained optimization. Given a target performance, FALCON first selects an appropriate circuit topology using a performance-driven classifier guided by human design heuristics. Next, it employs a custom, edge-centric graph neural network trained to map circuit topology and parameters to performance, enabling gradient-based parameter inference through the learned forward model. This inference is guided by a differentiable layout cost, derived from analytical equations capturing parasitic and frequency-dependent effects, and constrained by design rules. We train and evaluate FALCON on a large-scale custom dataset of 1M analog mm-wave circuits, generated and simulated using Cadence Spectre across 20 expert-designed topologies. Through this evaluation, FALCON demonstrates >99\% accuracy in topology inference, <10\% relative error in performance prediction, and efficient layout-aware design that completes in under 1 second per instance. Together, these results position FALCON as a practical and extensible foundation model for end-to-end analog circuit design automation.

Out-of-distribution (OOD) detection is essential for reliably deploying machine learning models in the wild. Yet, most methods treat large pre-trained models as monolithic encoders and rely solely on their final-layer representations for detection. We challenge this wisdom. We reveal the intermediate layers of pre-trained models, shaped by residual connections that subtly transform input projections, can encode surprisingly rich and diverse signals for detecting distributional shifts. Importantly, to exploit latent representation diversity across layers, we introduce an entropy-based criterion to automatically identify layers offering the most complementary information in a training-free setting, without access to OOD data. We show that selectively incorporating these intermediate representations can increase the accuracy of OOD detection by up to $10\%$ in far-OOD and over $7\%$ in near-OOD benchmarks compared to state-of-the-art training-free methods across various model architectures and training objectives. Our findings reveal a new avenue for OOD detection research and uncover the impact of various training objectives and model architectures on confidence-based OOD detection methods.

Deep generative models, particularly diffusion models, have achieved remarkable success but face significant challenges when trained on real-world, long-tailed datasets- where few "head" classes dominate and many "tail" classes are underrepresented. This paper develops a theoretical framework for long-tailed learning via diffusion models through the lens of deep mutual learning. We introduce a novel regularized training objective that combines the standard diffusion loss with a mutual learning term, enabling balanced performance across all class labels, including the underrepresented tails. Our approach to learn via the proposed regularized objective is to formulate it as a multi-player game, with Nash equilibrium serving as the solution concept. We derive a non-asymptotic first-order convergence result for individual gradient descent algorithm to find the Nash equilibrium. We show that the Nash gap of the score network obtained from the algorithm is upper bounded by $\mathcal{O}(\frac{1}{\sqrt{T_{train}}}+\beta)$ where $\beta$ is the regularizing parameter and $T_{train}$ is the number of iterations of the training algorithm. Furthermore, we theoretically establish hyper-parameters for training and sampling algorithm that ensure that we find conditional score networks (under our model) with a worst case sampling error $\mathcal{O}(\epsilon+1), \forall \epsilon>0$ across all class labels. Our results offer insights and guarantees for training diffusion models on imbalanced, long-tailed data, with implications for fairness, privacy, and generalization in real-world generative modeling scenarios.

Dynamic view synthesis has seen significant advances, yet reconstructing scenes from uncalibrated, casual video remains challenging due to slow optimization and complex parameter estimation. In this work, we present **Instant4D**, a monocular reconstruction system that leverages native 4D representation to efficiently process casual video sequences within minutes, without calibrated cameras or depth sensors. Our method begins with geometric recovery through deep visual SLAM, followed by grid pruning to optimize scene representation. Our design significantly reduces redundancy while maintaining geometric integrity, cutting model size to under **10%** of its original footprint. To handle temporal dynamics efficiently, we introduce a streamlined 4D Gaussian representation, achieving a **30×** speed-up and reducing training time to within two minutes, while maintaining competitive performance across several benchmarks. Our method reconstruct a single video within 10 minutes on the Dycheck dataset or for a typical 200-frame video. We further apply our model to in-the-wild videos, showcasing its generalizability. Our project website is published at https://instant4d.github.io/.

Despite their impressive performance across a wide range of tasks, Large Vision-Language Models (LVLMs) remain prone to hallucination. In this study, we propose a comprehensive intervention framework aligned with the transformer’s causal architecture in LVLMs, integrating the effects of different intervention paths on hallucination. We find that hallucinations in LVLMs do not arise from a single causal path, but rather from the interplay among image-to-input-text, image-to-output-text, and text-to-text pathways. For the first time, we also find that LVLMs rely on different pathways depending on the question–answer alignment format. Building on these insights, we propose simple yet effective methods to identify and intervene on critical hallucination heads within each pathway, tailored to discriminative and generative formats. Experiments across multiple benchmarks demonstrate that our approach consistently reduces hallucinations across diverse alignment types.

We study matching markets with ties, where workers on one side of the market may have tied preferences over jobs, determined by their matching utilities. Unlike classical two-sided markets with strict preferences, no single stable matching exists that is utility-maximizing for all workers. To address this challenge, we introduce the \emph{Optimal Stable Share} (OSS)-ratio, which measures the ratio of a worker's maximum achievable utility in any stable matching to their utility in a given matching. We prove that distributions over only stable matchings can incur linear utility losses, i.e., an $\Omega (N)$ OSS-ratio, where $N$ is the number of workers. To overcome this, we design an algorithm that efficiently computes a distribution over (possibly non-stable) matchings, achieving an asymptotically tight $O (\log N)$ OSS-ratio. When exact utilities are unknown, our second algorithm guarantees workers a logarithmic approximation of their optimal utility under bounded instability. Finally, we extend our offline approximation results to a bandit learning setting where utilities are only observed for matched pairs. In this setting, we consider worker-optimal stable regret, design an adaptive algorithm that smoothly interpolates between markets with strict preferences and those with statistical ties, and establish a lower bound revealing the fundamental trade-off between strict and tied preference regimes.

In many scientific experiments, the data annotating cost constraints the pace for testing novel hypotheses. Yet, modern machine learning pipelines offer a promising solution—provided their predictions yield correct conclusions. We focus on Prediction-Powered Causal Inferences (PPCI), i.e., estimating the treatment effect in an unlabeled target experiment, relying on training data with the same outcome annotated but potentially different treatment or effect modifiers. We first show that conditional calibration guarantees valid PPCI at population level. Then, we introduce a sufficient representation constraint transferring validity across experiments, which we propose to enforce in practice in Deconfounded Empirical Risk Minimization, our new model-agnostic training objective. We validate our method on synthetic and real-world scientific data, solving impossible problem instances for Empirical Risk Minimization even with standard invariance constraints. In particular, for the first time, we achieve valid causal inference on a scientific experiment with complex recording and no human annotations, fine-tuning a foundational model on our similar annotated experiment.

Probabilistic reasoning is a key aspect of both human and artificial intelligence that allows for handling uncertainty and ambiguity in decision-making. In this paper, we introduce a new numerical reasoning task under uncertainty for large language models, focusing on estimating the privacy risk of user-generated documents containing privacy-sensitive information. We propose BRANCH, a new LLM methodology that estimates the $k$-privacy value of a text—the size of the population matching the given information. BRANCH factorizes a joint probability distribution of personal information as random variables. The probability of each factor in a population is estimated separately using a Bayesian network and combined to compute the final $k$-value. Our experiments show that this method successfully estimates the $k$-value 73% of the time, a 13% increase compared to o3-mini with chain-of-thought reasoning. We also find that LLM uncertainty is a good indicator for accuracy, as high variance predictions are 37.47% less accurate on average.

Improving Multi-modal Large Language Models (MLLMs) in the post-training stage typically relies on supervised fine-tuning (SFT) or reinforcement learning (RL), which require expensive and manually annotated multi-modal data--an ultimately unsustainable resource. This limitation has motivated a growing interest in unsupervised paradigms as a third stage of post-training after SFT and RL. While recent efforts have explored this direction, their methods are complex and difficult to iterate. To address this, we propose MM-UPT, a simple yet effective framework for unsupervised post-training of MLLMs, enabling continual self-improvement without any external supervision. The training method of MM-UPT builds upon GRPO, replacing traditional reward signals with a self-rewarding mechanism based on majority voting over multiple sampled responses. Our experiments demonstrate that such training method effectively improves the reasoning ability of Qwen2.5-VL-7B (e.g., 66.3\%$\rightarrow$72.9\% on MathVista, 62.9\%$\rightarrow$68.7\% on We-Math), using standard dataset without ground truth labels. To further explore scalability, we extend our framework to a data self-generation setting, designing two strategies that prompt the MLLM to synthesize new training samples on its own. Additional experiments show that combining these synthetic data with the unsupervised training method can also boost performance, highlighting a promising approach for scalable self-improvement. Overall, MM-UPT offers a new paradigm for autonomous enhancement of MLLMs, serving as a critical third step after initial SFT and RL in the absence of external supervision. Our code is available at \url{https://github.com/waltonfuture/MM-UPT}.

The efficient deployment of large language models (LLMs) in online settings requires optimizing inference performance under stringent latency constraints, particularly the time-to-first-token (TTFT) and time-per-output-token (TPOT). This paper focuses on the query scheduling problem for LLM inference with prefix reuse, a technique that leverages shared prefixes across queries to reduce computational overhead. Our work reveals previously unknown limitations of the existing first-come-first-serve (FCFS) and longest-prefix-match (LPM) scheduling strategies with respect to satisfying latency constraints. We present a formal theoretical framework for LLM query scheduling under RadixAttention, a prefix reuse mechanism that stores and reuses intermediate representations in a radix tree structure. Our analysis establishes the NP-hardness of the scheduling problem with prefix reuse under TTFT constraints and proposes a novel scheduling algorithm, $k$-LPM, which generalizes existing methods by balancing prefix reuse and fairness in query processing. Theoretical guarantees demonstrate that $k$-LPM achieves improved TTFT performance under realistic traffic patterns captured by a data generative model. Empirical evaluations in a realistic serving setting validates our findings, showing significant reductions in P99 TTFT compared to baseline methods.

Diffusion Transformers (DiTs) deliver state-of-the-art image quality, yet their training remains notoriously slow. A recent remedy---representation alignment (REPA) that matches DiT hidden features to those of a non-generative teacher (e.g., DINO)---dramatically accelerates the early epochs but plateaus or even degrades performance later. We trace this failure to the capacity mismatch: once the generative student begins modeling the joint data distribution, the teacher's lower-dimensional embeddings and attention patterns become a straitjacket rather than a guide. We then introduce HASTE (Holistic Alignment with Stage-wise Termination for Efficient training), a two-phase schedule that keeps the help and drops the hindrance. Phase I applies a holistic alignment loss that simultaneously distills attention maps (relational priors) and feature projections (semantic anchors) from the teacher into mid-level layers of the DiT, yielding rapid convergence. Phase II then performs one-shot termination that deactivates the alignment loss, once a simple trigger such as a fixed iteration is hit, freeing the DiT to focus on denoising and exploit its generative capacity. HASTE speeds up training of diverse DiTs without architecture changes. On ImageNet 256×256, it reaches the vanilla SiT-XL/2 baseline FID in 50 epochs and matches REPA’s best FID in 500 epochs, amounting to a 28× reduction in optimization steps. HASTE also improves text-to-image DiTs on MS-COCO, proving to be a simple yet principled recipe for efficient diffusion training across various tasks.

Riemannian symmetric spaces (RSS) such as hyperbolic spaces and symmetric positive definite (SPD) manifolds have become popular spaces for representation learning. In this paper, we propose a novel approach for building discriminative neural networks on Siegel spaces, a family of RSS that is largely unexplored in machine learning tasks. For classification applications, one focus of recent works is the construction of multiclass logistic regression (MLR) and fully-connected (FC) layers for hyperbolic and SPD neural networks. Here we show how to build such layers for Siegel neural networks. Our approach relies on the quotient structure of those spaces and the notation of vector-valued distance on RSS. We demonstrate the relevance of our approach on two applications, i.e., radar signal classification and node classification. Our results successfully demonstrate state-of-the-art performance across all datasets.

With businesses starting to deploy agents to act on their behalf, an emerging challenge that businesses have to contend with is how to incentivize other agents with differing interests to work alongside its own agent. In present day commerce, payment is a common way that different parties use to \emph{economically} align their interests. In this paper, we study how one could analogously learn such payment schemes for aligning agents in the decentralized multi-agent setting. We model this problem as a Stackelberg Markov game, in which the leader can commit to a policy and also designate a set of outcome-based payments. We are interested in answering the question: when do efficient learning algorithms exist? To this end, we characterize the computational and statistical complexity of planning and learning in general-sum and cooperative games. In general-sum games, we find that planning is computationally intractable. In cooperative games, we show that learning can be statistically hard without payment and efficient with payment, showing that payment is necessary for learning even with aligned rewards. Altogether, our work aims to consolidate our theoretical understanding of outcome-based payment algorithms that can economically align decentralized agents.

Uncertainty quantification (UQ) in scientific machine learning is increasingly critical as neural networks are widely adopted to tackle complex problems across diverse scientific disciplines. For physics-informed neural networks (PINNs), a prominent model in scientific machine learning, uncertainty is typically quantified using Bayesian or dropout methods. However, both approaches suffer from a fundamental limitation: the prior distribution or dropout rate required to construct honest confidence sets cannot be determined without additional information. In this paper, we propose a novel method within the framework of extended fiducial inference (EFI) to provide rigorous uncertainty quantification for PINNs. The proposed method leverages a narrow-neck hyper-network to learn the parameters of the PINN and quantify their uncertainty based on imputed random errors in the observations. This approach overcomes the limitations of Bayesian and dropout methods, enabling the construction of honest confidence sets based solely on observed data. This advancement represents a significant breakthrough for PINNs, greatly enhancing their reliability, interpretability, and applicability to real-world scientific and engineering challenges. Moreover, it establishes a new theoretical framework for EFI, extending its application to large-scale models, eliminating the need for sparse hyper-networks, and significantly improving the automaticity and robustness of statistical inference.