OpenRaiser/Intern-Atlas huggingface dataset:
Let's Revise Step-by-Step: A Unified Local Search Framework for Code Generation with LLMs
Venue: Conference NeurIPS 2025
Year: 2025

Large Language Models (LLMs) with inference-time scaling techniques show promise for code generation, yet face notable efficiency and scalability challenges. Construction-based tree-search methods suffer from rapid growth in tree size, high token consumption, and lack of anytime property. In contrast, improvement-based methods offer better performance but often struggle with uninformative reward signals and inefficient search strategies. In this work, we propose \textbf{ReLoc}, a unified local search framework which effectively performs step-by-step code revision. Specifically, ReLoc explores a series of local revisions through four key algorithmic components: initial code drafting, neighborhood code generation, candidate evaluation, and incumbent code updating, each of which can be instantiated with specific decision rules to realize different local search algorithms such as Hill Climbing (HC) or Genetic Algorithm (GA). Furthermore, we develop a specialized revision reward model that evaluates code quality based on revision distance to produce fine-grained preferences that guide the local search toward more promising candidates. Finally, our extensive experimental results demonstrate that our approach achieves superior performance across diverse code generation tasks, significantly outperforming both construction-based tree search as well as the state-of-the-art improvement-based code generation methods.
Physics-Constrained Flow Matching: Sampling Generative Models with Hard Constraints
Venue: Conference NeurIPS 2025
Year: 2025

Deep generative models have recently been applied to physical systems governed by partial differential equations (PDEs), offering scalable simulation and uncertainty-aware inference. However, enforcing physical constraints, such as conservation laws (linear and nonlinear) and physical consistencies, remains challenging. Existing methods often rely on soft penalties or architectural biases that fail to guarantee hard constraints. In this work, we propose Physics-Constrained Flow Matching (PCFM), a zero-shot inference framework that enforces arbitrary nonlinear constraints in pretrained flow-based generative models. PCFM continuously guides the sampling process through physics-based corrections applied to intermediate solution states, while remaining aligned with the learned flow and satisfying physical constraints. Empirically, PCFM outperforms both unconstrained and constrained baselines on a range of PDEs, including those with shocks, discontinuities, and sharp features, while ensuring exact constraint satisfaction at the final solution. Our method provides a flexible framework for enforcing hard constraints in both scientific and general-purpose generative models, especially in applications where constraint satisfaction is essential.
The First Few Tokens Are All You Need: An Efficient and Effective Unsupervised Prefix Fine-Tuning Method for Reasoning Models
Venue: Conference NeurIPS 2025
Year: 2025

Improving the reasoning capabilities of large language models (LLMs) typically requires supervised fine-tuning with labeled data or computationally expensive sampling. We introduce Unsupervised Prefix Fine-Tuning (UPFT), which leverages the observation of Prefix Self-Consistency -- the shared initial reasoning steps across diverse solution trajectories -- to enhance LLM reasoning efficiency. By training exclusively on the initial prefix substrings (as few as 8 tokens), UPFT removes the need for labeled data or exhaustive sampling. Experiments on reasoning benchmarks show that UPFT matches the performance of supervised methods such as Rejection Sampling Fine-Tuning, while reducing training time by 75% and sampling cost by 99%. Further analysis reveals that errors tend to appear in later stages of the reasoning process and that prefix-based training preserves the model's structural knowledge. This work demonstrates how minimal unsupervised fine-tuning can unlock substantial reasoning gains in LLMs, offering a scalable and resource-efficient alternative to conventional approaches.
Quantum Visual Fields with Neural Amplitude Encoding
Venue: Conference NeurIPS 2025
Year: 2025

Quantum Implicit Neural Representations (QINRs) include components for learning and execution on gate-based quantum computers. While QINRs recently emerged as a promising new paradigm, many challenges concerning their architecture and ansatz design, the utility of quantum-mechanical properties, training efficiency and the interplay with classical modules remain. This paper advances the field by introducing a new type of QINR for 2D image and 3D geometric field learning, which we collectively refer to as Quantum Visual Field (QVF). QVF encodes classical data into quantum statevectors using neural amplitude encoding grounded in a learnable energy manifold, ensuring meaningful Hilbert space embeddings. Our ansatz follows a fully entangled design of learnable parametrised quantum circuits, with quantum (unitary) operations performed in the real Hilbert space, resulting in numerically stable training with fast convergence. QVF does not rely on classical post-processing -- in contrast to the previous QINR learning approach -- and directly employs projective measurement to extract learned signals encoded in the ansatz. Experiments on a quantum hardware simulator demonstrate that QVF outperforms the existing quantum approach and widely used classical foundational baselines in terms of visual representation accuracy across various metrics and model characteristics, such as learning of high-frequency details. We also show applications of QVF in 2D and 3D field completion and 3D shape interpolation, highlighting its practical potential.
WebDancer: Towards Autonomous Information Seeking Agency
Venue: Conference NeurIPS 2025
Year: 2025

Addressing intricate real-world problems necessitates in-depth information seeking and multi-step reasoning. Recent progress in agentic systems, exemplified by Deep Research, underscores the potential for autonomous multi-step research. In this work, we present a cohesive paradigm for building end-to-end agentic information seeking agents from a data-centric and training-stage perspective. Our approach consists of four key stages: (1) browsing data construction, (2) trajectories sampling, (3) supervised fine-tuning for effective cold start, and (4) reinforcement learning for enhanced generalisation. We instantiate this framework in a web agent based on the ReAct, WebDancer. Empirical evaluations on the challenging information seeking benchmarks, GAIA and WebWalkerQA, demonstrate the strong performance of WebDancer, achieving considerable results and highlighting the efficacy of our training paradigm. Further analysis of agent training provides valuable insights and actionable, systematic pathways for developing more capable agentic models. The codes and demo will be released in https://github.com/Alibaba-NLP/WebAgent.
QuadEnhancer: Leveraging Quadratic Transformations to Enhance Deep Neural Networks
Venue: Conference NeurIPS 2025
Year: 2025

The combination of linear transformations and non-linear activation functions forms the foundation of most modern deep neural networks, enabling them to approximate highly complex functions. This paper explores the introduction of quadratic transformations to further increase nonlinearity in neural networks, with the aim of enhancing the performance of existing architectures. To reduce parameter complexity and computational complexity, we propose a lightweight quadratic enhancer that uses low-rankness, weight sharing, and sparsification techniques. For a fixed architecture, the proposed approach introduces quadratic interactions between features at every layer, while only adding negligible amounts of additional model parameters and forward computations. We conduct a set of proof-of-concept experiments for the proposed method across three tasks: image classification, text classification, and fine-tuning large-language models. In all tasks, the proposed approach demonstrates clear and substantial performance gains.
Off-policy Reinforcement Learning with Model-based Exploration Augmentation
Venue: Conference NeurIPS 2025
Year: 2025

Exploration is fundamental to reinforcement learning (RL), as it determines how effectively an agent discovers and exploits the underlying structure of its environment to achieve optimal performance. Existing exploration methods generally fall into two categories: active exploration and passive exploration. The former introduces stochasticity into the policy but struggles in high-dimensional environments, while the latter adaptively prioritizes transitions in the replay buffer to enhance exploration, yet remains constrained by limited sample diversity. To address the limitation in passive exploration, we propose Modelic Generative Exploration (MoGE), which augments exploration through the generation of under-explored critical states and synthesis of dynamics-consistent experiences through transition models. MoGE is composed of two components: (1) a diffusion-based generator that synthesizes critical states under the guidance of a utility function evaluating each state's potential influence on policy exploration, and (2) a one-step imagination world model for constructing critical transitions based on the critical states for agent learning. Our method adopts a modular formulation that aligns with the principles of off-policy learning, allowing seamless integration with existing algorithms to improve exploration without altering their core structures. Empirical results on OpenAI Gym and DeepMind Control Suite reveal that MoGE effectively bridges exploration and policy learning, leading to remarkable gains in both sample efficiency and performance across complex control tasks.
Causal Head Gating: A Framework for Interpreting Roles of Attention Heads in Transformers
Venue: Conference NeurIPS 2025
Year: 2025

We present causal head gating (CHG), a scalable method for interpreting the functional roles of attention heads in transformer models. CHG learns soft gates over heads and assigns them a causal taxonomy - facilitating, interfering, or irrelevant - based on their impact on task performance. Unlike prior approaches in mechanistic interpretability, which are hypothesis-driven and require prompt templates or target labels, CHG applies directly to any dataset using standard next-token prediction. We evaluate CHG across multiple large language models (LLMs) in the Llama 3 model family and diverse tasks, including syntax, commonsense, and mathematical reasoning, and show that CHG scores yield causal, not merely correlational, insight validated via ablation and causal mediation analyses. We also introduce contrastive CHG, a variant that isolates sub-circuits for specific task components. Our findings reveal that LLMs contain multiple sparse task-sufficient sub-circuits, that individual head roles depend on interactions with others (low modularity), and that instruction following and in-context learning rely on separable mechanisms.
On the Edge of Memorization in Diffusion Models
Venue: Conference NeurIPS 2025
Year: 2025

When do diffusion models reproduce their training data, and when are they able to generate samples beyond it? A practically relevant theoretical understanding of this interplay between memorization and generalization may significantly impact real-world deployments of diffusion models with respect to issues such as copyright infringement and data privacy. In this work, to disentangle the different factors that influence memorization and generalization in practical diffusion models, we introduce a scientific and mathematical "laboratory" for investigating these phenomena in diffusion models trained on fully synthetic or natural image-like structured data. Within this setting, we hypothesize that the memorization or generalization behavior of an underparameterized trained model is determined by the difference in training loss between an associated memorizing model and a generalizing model. To probe this hypothesis, we theoretically characterize a crossover point wherein the weighted training loss of a fully generalizing model becomes greater than that of an underparameterized memorizing model at a critical value of model (under)parameterization. We then demonstrate via carefully-designed experiments that the location of this crossover predicts a phase transition in diffusion models trained via gradient descent, validating our hypothesis. Ultimately, our theory enables us to analytically predict the model size at which memorization becomes predominant. Our work provides an analytically tractable and practically meaningful setting for future theoretical and empirical investigations. Code for our experiments is available at https://github.com/DruvPai/diffusion_mem_gen.
Adam Reduces a Unique Form of Sharpness: Theoretical Insights Near the Minimizer Manifold
Venue: Conference NeurIPS 2025
Year: 2025

Despite the popularity of the Adam optimizer in practice, most theoretical analyses study Stochastic Gradient Descent (SGD) as a proxy for Adam, and little is known about how the solutions found by Adam differ. In this paper, we show that Adam implicitly reduces a unique form of sharpness measure shaped by its adaptive updates, leading to qualitatively different solutions from SGD. More specifically, when the training loss is small, Adam wanders around the manifold of minimizers and takes semi-gradients to minimize this sharpness measure in an adaptive manner, a behavior we rigorously characterize through a continuous-time approximation using stochastic differential equations. We further demonstrate how this behavior differs from that of SGD in a well-studied setting: when training overparameterized models with label noise, SGD has been shown to minimize the trace of the Hessian matrix, $\tr(\mH)$, whereas we prove that Adam minimizes $\tr(\Diag(\mH)^{1/2})$ instead. In solving sparse linear regression with diagonal linear networks, this distinction enables Adam to achieve better sparsity and generalization than SGD. Finally, our analysis framework extends beyond Adam to a broad class of adaptive gradient methods, including RMSProp, Adam-mini, Adalayer and Shampoo, and provides a unified perspective on how these adaptive optimizers reduce sharpness, which we hope will offer insights for future optimizer design.
Zero-Shot Context Generalization in Reinforcement Learning from Few Training Contexts
Venue: Conference NeurIPS 2025
Year: 2025

Deep reinforcement learning (DRL) has achieved remarkable success across multiple domains, including competitive games, natural language processing, and robotics. Despite these advancements, policies trained via DRL often struggle to generalize to evaluation environments with different parameters. This challenge is typically addressed by training with multiple contexts and/or by leveraging additional structure in the problem. However, obtaining sufficient training data across diverse contexts can be impractical in real-world applications. In this work, we consider contextual Markov decision processes (CMDPs) with transition and reward functions that exhibit regularity in context parameters. We introduce the context-enhanced Bellman equation (CEBE) to improve generalization when training on a single context. We prove both analytically and empirically that the CEBE yields a first-order approximation to the Q-function trained across multiple contexts. We then derive context sample enhancement (CSE) as an efficient data augmentation method for approximating the CEBE in deterministic control environments. We numerically validate the performance of CSE in simulation environments, showcasing its potential to improve generalization in DRL.
ScaleDiff: Higher-Resolution Image Synthesis via Efficient and Model-Agnostic Diffusion
Venue: Conference NeurIPS 2025
Year: 2025

Text-to-image diffusion models often exhibit degraded performance when generating images beyond their training resolution. Recent training-free methods can mitigate this limitation, but they often require substantial computation or are incompatible with recent Diffusion Transformer models. In this paper, we propose ScaleDiff, a model-agnostic and highly efficient framework for extending the resolution of pretrained diffusion models without any additional training. A core component of our framework is Neighborhood Patch Attention (NPA), an efficient mechanism that reduces computational redundancy in the self-attention layer with non-overlapping patches. We integrate NPA into an SDEdit pipeline and introduce Latent Frequency Mixing (LFM) to better generate fine details. Furthermore, we apply Structure Guidance to enhance global structure during the denoising process. Experimental results demonstrate that ScaleDiff achieves state-of-the-art performance among training-free methods in terms of both image quality and inference speed on both U-Net and Diffusion Transformer architectures.
ARECHO: Autoregressive Evaluation via Chain-Based Hypothesis Optimization for Speech Multi-Metric Estimation
Venue: Conference NeurIPS 2025
Year: 2025

Speech signal analysis poses significant challenges, particularly in tasks such as speech quality evaluation and profiling, where the goal is to predict multiple perceptual and objective metrics. For instance, metrics like PESQ (Perceptual Evaluation of Speech Quality), STOI (Short-Time Objective Intelligibility), and MOS (Mean Opinion Score) each capture different aspects of speech quality. However, these metrics often have different scales, assumptions, and dependencies, making joint estimation non-trivial. To address these issues, we introduce ARECHO (Autoregressive Evaluation via Chain-based Hypothesis Optimization), a chain-based, versatile evaluation system for speech assessment grounded in autoregressive dependency modeling. ARECHO is distinguished by three key innovations: (1) a comprehensive speech information tokenization pipeline; (2) a dynamic classifier chain that explicitly captures inter-metric dependencies; and (3) a two-step confidence-oriented decoding algorithm that enhances inference reliability. Experiments demonstrate that ARECHO significantly outperforms the baseline framework across diverse evaluation scenarios, including enhanced speech analysis, speech generation evaluation, and, noisy speech evaluation. Furthermore, its dynamic dependency modeling improves interpretability by capturing inter-metric relationships. Across tasks, ARECHO offers reference-free evaluation using its dynamic classifier chain to support subset queries (single or multiple metrics) and reduces error propagation via confidence-oriented decoding.
On the creation of narrow AI: hierarchy and nonlocality of neural network skills
Venue: Conference NeurIPS 2025
Year: 2025

We study the problem of creating strong, yet narrow, AI systems. While recent AI progress has been driven by the training of large general-purpose foundation models, the creation of smaller models specialized for narrow domains could be valuable for both efficiency and safety. In this work, we explore two challenges involved in creating such systems, having to do with basic properties of how neural networks learn and structure their representations. The first challenge regards when it is possible to train narrow models from scratch. Through experiments on a synthetic task, we find that it is sometimes necessary to train networks on a wide distribution of data to learn certain narrow skills within that distribution. This effect arises when skills depend on each other hierarchically, and training on a broad distribution introduces a curriculum which substantially accelerates learning. The second challenge regards how to transfer particular skills from large general models into small specialized models. We find that model skills are often not perfectly localized to a particular set of prunable components. However, we find that methods based on pruning can still outperform distillation. We investigate the use of a regularization objective to align desired skills with prunable components while unlearning unnecessary skills.
SSIMBaD: Sigma Scaling with SSIM-Guided Balanced Diffusion for AnimeFace Colorization
Venue: Conference NeurIPS 2025
Year: 2025

We propose a novel diffusion-based framework for automatic colorization of Anime-style facial sketches. Our method preserves the structural fidelity of the input sketch while effectively transferring stylistic attributes from a reference image. Unlike traditional approaches that rely on predefined noise schedules - which often compromise perceptual consistency -- our framework builds on continuous-time diffusion models and introduces SSIMBaD (Sigma Scaling with SSIM-Guided Balanced Diffusion). SSIMBaD applies a sigma-space transformation that aligns perceptual degradation, as measured by structural similarity (SSIM), in a linear manner. This scaling ensures uniform visual difficulty across timesteps, enabling more balanced and faithful reconstructions. Experiments on a large-scale Anime face dataset demonstrate that our method outperforms state-of-the-art models in both pixel accuracy and perceptual quality, while generalizing to diverse styles. Code is available at github.com/Giventicket/SSIMBaD-Sigma-Scaling-with-SSIM-Guided-Balanced-Diffusion-for-AnimeFace-Colorization
Sharp Analysis for KL-Regularized Contextual Bandits and RLHF
Venue: Conference NeurIPS 2025
Year: 2025

Reverse-Kullback-Leibler (KL) regularization has emerged to be a predominant technique used to enhance policy optimization in reinforcement learning (RL) and reinforcement learning from human feedback (RLHF), which forces the learned policy to stay close to a reference policy. While the effectiveness and necessity of KL-regularization have been empirically demonstrated in various practical scenarios, current theoretical analysis of KL-regularized RLHF still obtains the same $\mathcal{O}(1 / ε^2)$ sample complexity as problems without KL-regularization. To understand the fundamental distinction between policy learning objectives with KL-regularization and ones without KL-regularization, we are the first to theoretically demonstrate the power of KL-regularization by providing a sharp analysis for KL-regularized contextual bandits and RLHF, revealing an $\mathcal{O}(1 / ε)$ sample complexity when $ε$ is sufficiently small. We further explore the role of data coverage in contextual bandits and RLHF. While the coverage assumption is commonly employed in offline RLHF to link the samples from the reference policy to the optimal policy, often at the cost of a multiplicative dependence on the coverage coefficient, its impact on the sample complexity of online RLHF remains unclear. Previous theoretical analyses of online RLHF typically require explicit exploration and additional structural assumptions on the reward function class. In contrast, we show that with sufficient coverage from the reference policy, a simple two-stage mixed sampling strategy can achieve a sample complexity with only an additive dependence on the coverage coefficient. Our results provide a comprehensive understanding of the roles of KL-regularization and data coverage in RLHF, shedding light on the design of more efficient RLHF algorithms.