OpenRaiser/Intern-Atlas huggingface dataset:
Composing Global Solutions to Reasoning Tasks via Algebraic Objects in Neural Nets
Venue: Conference NeurIPS 2025
Year: 2025

We prove rich algebraic structures of the solution space for 2-layer neural networks with quadratic activation and $L_2$ loss, trained on reasoning tasks in Abelian group (e.g., modular addition). Such a rich structure enables \emph{analytical} construction of global optimal solutions from partial solutions that only satisfy part of the loss, despite its high nonlinearity. We coin the framework as CoGS (\emph{\underline{Co}mposing \underline{G}lobal \underline{S}olutions}). Specifically, we show that the weight space over different numbers of hidden nodes of the 2-layer network is equipped with a semi-ring algebraic structure, and the loss function to be optimized consists of \emph{sum potentials}, which are ring homomorphisms, allowing partial solutions to be composed into global ones by ring addition and multiplication. Our experiments show that around $95\%$ of the solutions obtained by gradient descent match exactly our theoretical constructions. Although the global solutions constructed only required a small number of hidden nodes, our analysis on gradient dynamics shows that overparameterization asymptotically decouples training dynamics and is beneficial. We further show that training dynamics favors simpler solutions under weight decay, and thus high-order global solutions such as perfect memorization are unfavorable. The code is open sourced at https://github.com/facebookresearch/luckmatters/tree/yuandong3/ssl/real-dataset.
Rooms from Motion: Un-posed Indoor 3D Object Detection as Localization and Mapping
Venue: Conference NeurIPS 2025
Year: 2025

We revisit scene-level 3D object detection as the output of an object-centric framework capable of both localization and mapping using 3D oriented boxes as the underlying geometric primitive. While existing 3D object detection approaches operate globally and implicitly rely on the a priori existence of metric camera poses, our method, Rooms from Motion (RfM) operates on a collection of un-posed images. By replacing the standard 2D keypoint-based matcher of structure-from-motion with an object-centric matcher based on image-derived 3D boxes, we estimate metric camera poses, object tracks, and finally produce a global, semantic 3D object map. When a priori pose is available, we can significantly improve map quality through optimization of global 3D boxes against individual observations. RfM shows strong localization performance and subsequently produces maps of higher quality than leading point-based and multi-view 3D object detection methods on CA-1M and ScanNet++, despite these global methods relying on overparameterization through point clouds or dense volumes. Rooms from Motion achieves a general, object-centric representation which not only extends the work of Cubify Anything to full scenes but also allows for inherently sparse localization and parametric mapping proportional to the number of objects in a scene.
RLGF: Reinforcement Learning with Geometric Feedback for Autonomous Driving Video Generation
Venue: Conference NeurIPS 2025
Year: 2025

Synthetic data is crucial for advancing autonomous driving (AD) systems, yet current state-of-the-art video generation models, despite their visual realism, suffer from subtle geometric distortions that limit their utility for downstream perception tasks. We identify and quantify this critical issue, demonstrating a significant performance gap in 3D object detection when using synthetic versus real data. To address this, we introduce Reinforcement Learning with Geometric Feedback (RLGF), RLGF uniquely refines video diffusion models by incorporating rewards from specialized latent-space AD perception models. Its core components include an efficient Latent-Space Windowing Optimization technique for targeted feedback during diffusion, and a Hierarchical Geometric Reward (HGR) system providing multi-level rewards for point-line-plane alignment, and scene occupancy coherence. To quantify these distortions, we propose GeoScores. Applied to models like DiVE on nuScenes, RLGF substantially reduces geometric errors (e.g., VP error by 21\%, Depth error by 57\%) and dramatically improves 3D object detection mAP by 12.7\%, narrowing the gap to real-data performance. RLGF offers a plug-and-play solution for generating geometrically sound and reliable synthetic videos for AD development.
Adaptive Algorithms with Sharp Convergence Rates for Stochastic Hierarchical Optimization
Venue: Conference NeurIPS 2025
Year: 2025

Hierarchical optimization refers to problems with interdependent decision variables and objectives, such as minimax and bilevel formulations. While various algorithms have been proposed, existing methods and analyses lack adaptivity in stochastic optimization settings: they cannot achieve optimal convergence rates across a wide spectrum of gradient noise levels without prior knowledge of the noise magnitude. In this paper, we propose novel adaptive algorithms for two important classes of stochastic hierarchical optimization problems: nonconvex-strongly-concave minimax optimization and nonconvex-strongly-convex bilevel optimization. Our algorithms achieve sharp convergence rates of $\widetilde{O}(1/\sqrt{T} + \sqrt{\barσ}/T^{1/4})$ in $T$ iterations for the gradient norm, where $\barσ$ is an upper bound on the stochastic gradient noise. Notably, these rates are obtained without prior knowledge of the noise level, thereby enabling automatic adaptivity in both low and high-noise regimes. To our knowledge, this work provides the first adaptive and sharp convergence guarantees for stochastic hierarchical optimization. Our algorithm design combines the momentum normalization technique with novel adaptive parameter choices. Extensive experiments on synthetic and deep learning tasks demonstrate the effectiveness of our proposed algorithms.
TPP-SD: Accelerating Transformer Point Process Sampling with Speculative Decoding
Venue: Conference NeurIPS 2025
Year: 2025

We propose TPP-SD, a novel approach that accelerates Transformer temporal point process (TPP) sampling by adapting speculative decoding (SD) techniques from language models. By identifying the structural similarities between thinning algorithms for TPPs and speculative decoding for language models, we develop an efficient sampling framework that leverages a smaller draft model to generate multiple candidate events, which are then verified by the larger target model in parallel. TPP-SD maintains the same output distribution as autoregressive sampling while achieving significant acceleration. Experiments on both synthetic and real datasets demonstrate that our approach produces samples from identical distributions as standard methods, but with 2-6$\times$ speedup. Our ablation studies analyze the impact of hyperparameters such as draft length and draft model size on sampling efficiency. TPP-SD bridges the gap between powerful Transformer TPP models and the practical need for rapid sequence sampling.
RETRO SYNFLOW: Discrete Flow-Matching for Accurate and Diverse Single-Step Retrosynthesis
Venue: Conference NeurIPS 2025
Year: 2025

A fundamental problem in organic chemistry is identifying and predicting the series of reactions that synthesize a desired target product molecule. Due to the combinatorial nature of the chemical search space, single-step reactant prediction -- i.e. single-step retrosynthesis -- remains challenging even for existing state-of-the-art template-free generative approaches to produce an accurate yet diverse set of feasible reactions. In this paper, we model single-step retrosynthesis planning and introduce RETRO SYNFLOW (RSF) a discrete flow-matching framework that builds a Markov bridge between the prescribed target product molecule and the reactant molecule. In contrast to past approaches, RSF employs a reaction center identification step to produce intermediate structures known as synthons as a more informative source distribution for the discrete flow. To further enhance diversity and feasibility of generated samples, we employ Feynman-Kac steering with Sequential Monte Carlo based resampling to steer promising generations at inference using a new reward oracle that relies on a forward-synthesis model. Empirically, we demonstrate \nameshort achieves $60.0 \%$ top-1 accuracy, which outperforms the previous SOTA by $20 \%$. We also substantiate the benefits of steering at inference and demonstrate that FK-steering improves top-$5$ round-trip accuracy by $19 \%$ over prior template-free SOTA methods, all while preserving competitive top-$k$ accuracy results.
How Far Are We from Optimal Reasoning Efficiency?
Venue: Conference NeurIPS 2025
Year: 2025

Large Reasoning Models (LRMs) demonstrate remarkable problem-solving capabilities through extended Chain-of-Thought (CoT) reasoning but often produce excessively verbose and redundant reasoning traces. This inefficiency incurs high inference costs and limits practical deployment. While existing fine-tuning methods aim to improve reasoning efficiency, assessing their efficiency gains remains challenging due to inconsistent evaluations. In this work, we introduce the reasoning efficiency frontiers, empirical upper bounds derived from fine-tuning base LRMs across diverse approaches and training configurations. Based on these frontiers, we propose the Reasoning Efficiency Gap (REG), a unified metric quantifying deviations of any fine-tuned LRMs from these frontiers. Systematic evaluation on challenging mathematical benchmarks reveals significant gaps in current methods: they either sacrifice accuracy for short length or still remain inefficient under tight token budgets. To reduce the efficiency gap, we propose REO-RL, a class of Reinforcement Learning algorithms that minimizes REG by targeting a sparse set of token budgets. Leveraging numerical integration over strategically selected budgets, REO-RL approximates the full efficiency objective with low error using a small set of token budgets. Through systematic benchmarking, we demonstrate that our efficiency metric, REG, effectively captures the accuracy-length trade-off, with low-REG methods reducing length while maintaining accuracy. Our approach, REO-RL, consistently reduces REG by >=50 across all evaluated LRMs and matching Qwen3-4B/8B efficiency frontiers under a 16K token budget with minimal accuracy loss. Ablation studies confirm the effectiveness of our exponential token budget strategy. Finally, our findings highlight that fine-tuning LRMs to perfectly align with the efficiency frontiers remains an open challenge.
Panoptic Captioning: An Equivalence Bridge for Image and Text
Venue: Conference NeurIPS 2025
Year: 2025

This work introduces panoptic captioning, a novel task striving to seek the minimum text equivalent of images, which has broad potential applications. We take the first step towards panoptic captioning by formulating it as a task of generating a comprehensive textual description for an image, which encapsulates all entities, their respective locations and attributes, relationships among entities, as well as global image state. Through an extensive evaluation, our work reveals that state-of-the-art Multi-modal Large Language Models (MLLMs) have limited performance in solving panoptic captioning. To address this, we propose an effective data engine named PancapEngine to produce high-quality data and a novel method named PancapChain to improve panoptic captioning. Specifically, our PancapEngine first detects diverse categories of entities in images by an elaborate detection suite, and then generates required panoptic captions using entity-aware prompts. Additionally, our PancapChain explicitly decouples the challenging panoptic captioning task into multiple stages and generates panoptic captions step by step. More importantly, we contribute a comprehensive metric named PancapScore and a human-curated test set for reliable model evaluation. Experiments show that our PancapChain-13B model can beat state-of-the-art open-source MLLMs like InternVL-2.5-78B and even surpass proprietary models like GPT-4o and Gemini-2.0-Pro, demonstrating the effectiveness of our data engine and method. Project page: https://visual-ai.github.io/pancap/
Learning single index models via harmonic decomposition
Venue: Conference NeurIPS 2025
Year: 2025

We study the problem of learning single-index models, where the label $y \in \mathbb{R}$ depends on the input $\boldsymbol{x} \in \mathbb{R}^d$ only through an unknown one-dimensional projection $\langle \boldsymbol{w}_*,\boldsymbol{x}\rangle$. Prior work has shown that under Gaussian inputs, the statistical and computational complexity of recovering $\boldsymbol{w}_*$ is governed by the Hermite expansion of the link function. In this paper, we propose a new perspective: we argue that $spherical$ $harmonics$ -- rather than $Hermite$ $polynomials$ -- provide the natural basis for this problem, as they capture its intrinsic $rotational$ $symmetry$. Building on this insight, we characterize the complexity of learning single-index models under arbitrary spherically symmetric input distributions. We introduce two families of estimators -- based on tensor unfolding and online SGD -- that respectively achieve either optimal sample complexity or optimal runtime, and argue that estimators achieving both may not exist in general. When specialized to Gaussian inputs, our theory not only recovers and clarifies existing results but also reveals new phenomena that had previously been overlooked.
TRUST: Test-Time Refinement using Uncertainty-Guided SSM Traverses
Venue: Conference NeurIPS 2025
Year: 2025

State Space Models (SSMs) have emerged as efficient alternatives to Vision Transformers (ViTs), with VMamba standing out as a pioneering architecture designed for vision tasks. However, their generalization performance degrades significantly under distribution shifts. To address this limitation, we propose TRUST (Test-Time Refinement using Uncertainty-Guided SSM Traverses), a novel test-time adaptation (TTA) method that leverages diverse traversal permutations to generate multiple causal perspectives of the input image. Model predictions serve as pseudo-labels to guide updates of the Mamba-specific parameters, and the adapted weights are averaged to integrate the learned information across traversal scans. Altogether, TRUST is the first approach that explicitly leverages the unique architectural properties of SSMs for adaptation. Experiments on seven benchmarks show that TRUST consistently improves robustness and outperforms existing TTA methods.
SkyLadder: Better and Faster Pretraining via Context Window Scheduling
Venue: Conference NeurIPS 2025
Year: 2025

Recent advancements in LLM pretraining have featured ever-expanding context windows to process longer sequences. However, our pilot study reveals that models pretrained with shorter context windows consistently outperform their long-context counterparts under a fixed token budget. This finding motivates us to explore an optimal context window scheduling strategy to better balance long-context capability with pretraining efficiency. To this end, we propose SkyLadder, a simple yet effective approach that implements a short-to-long context window transition. SkyLadder preserves strong standard benchmark performance, while matching or exceeding baseline results on long context tasks. Through extensive experiments, we pre-train 1B-parameter models (up to 32K context) and 3B-parameter models (8K context) on 100B tokens, demonstrating that SkyLadder yields consistent gains of up to 3.7% on common benchmarks, while achieving up to 22% faster training speeds compared to baselines. The code is at https://github.com/sail-sg/SkyLadder.
Differentially Private Bilevel Optimization: Efficient Algorithms with Near-Optimal Rates
Venue: Conference NeurIPS 2025
Year: 2025

Bilevel optimization, in which one optimization problem is nested inside another, underlies many machine learning applications with a hierarchical structure -- such as meta-learning and hyperparameter optimization. Such applications often involve sensitive training data, raising pressing concerns about individual privacy. Motivated by this, we study differentially private bilevel optimization. We first focus on settings where the outer-level objective is convex, and provide novel upper and lower bounds on the excess empirical risk for both pure and approximate differential privacy. These bounds are nearly tight and essentially match the optimal rates for standard single-level differentially private ERM, up to additional terms that capture the intrinsic complexity of the nested bilevel structure. We also provide population loss bounds for bilevel stochastic optimization. The bounds are achieved in polynomial time via efficient implementations of the exponential and regularized exponential mechanisms. A key technical contribution is a new method and analysis of log-concave sampling under inexact function evaluations, which may be of independent interest. In the non-convex setting, we develop novel algorithms with state-of-the-art rates for privately finding approximate stationary points. Notably, our bounds do not depend on the dimension of the inner problem.
Enhancing Optimizer Stability: Momentum Adaptation of The NGN Step-size
Venue: Conference NeurIPS 2025
Year: 2025

Modern optimization algorithms that incorporate momentum and adaptive step-size offer improved performance in numerous challenging deep learning tasks. However, their effectiveness is often highly sensitive to the choice of hyperparameters, especially the step-size. Tuning these parameters is often difficult, resource-intensive, and time-consuming. Therefore, recent efforts have been directed toward enhancing the stability of optimizers across a wide range of hyperparameter choices [Schaipp et al., 2024]. In this paper, we introduce an algorithm that matches the performance of state-of-the-art optimizers while improving stability to the choice of the step-size hyperparameter through a novel adaptation of the NGN step-size method [Orvieto and Xiao, 2024]. Specifically, we propose a momentum-based version (NGN-M) that attains the standard convergence rate of $\mathcal{O}(1/\sqrt{K})$ under less restrictive assumptions, without the need for interpolation condition or assumptions of bounded stochastic gradients or iterates, in contrast to previous approaches. Additionally, we empirically demonstrate that the combination of the NGN step-size with momentum results in enhanced robustness to the choice of the step-size hyperparameter while delivering performance that is comparable to or surpasses other state-of-the-art optimizers.
VideoHallu: Evaluating and Mitigating Multi-modal Hallucinations on Synthetic Video Understanding
Venue: Conference NeurIPS 2025
Year: 2025

Vision-Language Models (VLMs) have achieved strong results in video understanding, yet a key question remains: do they truly comprehend visual content or only learn shallow correlations between vision and language? Real visual understanding, especially of physics and common sense, is essential for AI systems that interact with the physical world. Current evaluations mostly use real-world videos similar to training data, so high benchmark scores may not reflect real reasoning ability. To address this, we propose negative-control tests using videos that depict physically impossible or logically inconsistent events. We introduce VideoHallu, a synthetic dataset of physics- and commonsense-violating scenes generated with Veo2, Sora, and Kling. It includes expert-annotated question-answer pairs across four categories of violations. Tests of leading VLMs (Qwen-2.5-VL, Video-R1, VideoChat-R1) show that, despite strong results on benchmarks such as MVBench and MMVU, they often miss these violations, exposing gaps in visual reasoning. Reinforcement learning fine-tuning on VideoHallu improves recognition of such violations without reducing standard benchmark performance. Our data is available at https://github.com/zli12321/VideoHallu.git.
Higher-Order Causal Structure Learning with Additive Models
Venue: Conference NeurIPS 2025
Year: 2025

Causal structure learning has long been the central task of inferring causal insights from data. Despite the abundance of real-world processes exhibiting higher-order mechanisms, however, an explicit treatment of interactions in causal discovery has received little attention. In this work, we focus on extending the causal additive model (CAM) to additive models with higher-order interactions. This second level of modularity we introduce to the structure learning problem is most easily represented by a directed acyclic hypergraph which extends the DAG. We introduce the necessary definitions and theoretical tools to handle the novel structure we introduce and then provide identifiability results for the hyper DAG, extending the typical Markov equivalence classes. We next provide insights into why learning the more complex hypergraph structure may actually lead to better empirical results. In particular, more restrictive assumptions like CAM correspond to easier-to-learn hyper DAGs and better finite sample complexity. We finally develop an extension of the greedy CAM algorithm which can handle the more complex hyper DAG search space and demonstrate its empirical usefulness in synthetic experiments.
AutoData: A Multi-Agent System for Open Web Data Collection
Venue: Conference NeurIPS 2025
Year: 2025

The exponential growth of data-driven systems and AI technologies has intensified the demand for high-quality web-sourced datasets. While existing datasets have proven valuable, conventional web data collection approaches face significant limitations in terms of human effort and scalability. Current data-collecting solutions fall into two categories: wrapper-based methods that struggle with adaptability and reproducibility, and large language model (LLM)-based approaches that incur substantial computational and financial costs. To address these challenges, we propose AutoData, a novel multi-agent system for Automated web Data collection, that requires minimal human intervention, i.e., only necessitating a natural language instruction specifying the desired dataset. In addition, AutoData is designed with a robust multi-agent architecture, featuring a novel oriented message hypergraph coordinated by a central task manager, to efficiently organize agents across research and development squads. Besides, we introduce a novel hypergraph cache system to advance the multi-agent collaboration process that enables efficient automated data collection and mitigates the token cost issues prevalent in existing LLM-based systems. Moreover, we introduce Instruct2DS, a new benchmark dataset supporting live data collection from web sources across three domains: academic, finance, and sports. Comprehensive evaluations over Instruct2DS and three existing benchmark datasets demonstrate AutoData's superior performance compared to baseline methods. Case studies on challenging tasks such as picture book collection and paper extraction from surveys further validate its applicability. Our source code and dataset are available at https://github.com/GraphResearcher/AutoData.