OpenRaiser/Intern-Atlas huggingface dataset:
Environment Inference for Learning Generalizable Dynamical System
Venue: Conference NeurIPS 2025
Year: 2025

Data-driven methods offer efficient and robust solutions for analyzing complex dynamical systems but rely on the assumption of I.I.D. data, driving the development of generalization techniques for handling environmental differences. These techniques, however, are limited by their dependence on environment labels, which are often unavailable during training due to data acquisition challenges, privacy concerns, and environmental variability, particularly in large public datasets and privacy-sensitive domains. In response, we propose DynaInfer, a novel method that infers environment specifications by analyzing prediction errors from fixed neural networks within each training round, enabling environment assignments directly from data. We prove our algorithm effectively solves the alternating optimization problem in unlabeled scenarios and validate it through extensive experiments across diverse dynamical systems. Results show that DynaInfer outperforms existing environment assignment techniques, converges rapidly to true labels, and even achieves superior performance when environment labels are available.
ReDit: Reward Dithering for Improved LLM Policy Optimization
Venue: Conference NeurIPS 2025
Year: 2025

DeepSeek-R1 has successfully enhanced Large Language Model (LLM) reasoning capabilities through its rule-based reward system. While it's a ''perfect'' reward system that effectively mitigates reward hacking, such reward functions are often discrete. Our experimental observations suggest that discrete rewards can lead to gradient anomaly, unstable optimization, and slow convergence. To address this issue, we propose ReDit (Reward Dithering), a method that dithers the discrete reward signal by adding simple random noise. With this perturbed reward, exploratory gradients are continuously provided throughout the learning process, enabling smoother gradient updates and accelerating convergence. The injected noise also introduces stochasticity into flat reward regions, encouraging the model to explore novel policies and escape local optima. Experiments across diverse tasks demonstrate the effectiveness and efficiency of ReDit. On average, ReDit achieves performance comparable to vanilla GRPO with only approximately 10% the training steps, and furthermore, still exhibits a 4% performance improvement over vanilla GRPO when trained for a similar duration. Visualizations confirm significant mitigation of gradient issues with ReDit. Moreover, theoretical analyses are provided to further validate these advantages.
Understanding the Generalization of Stochastic Gradient Adam in Learning Neural Networks
Venue: Conference NeurIPS 2025
Year: 2025

Adam is a popular and widely used adaptive gradient method in deep learning, which has also received tremendous focus in theoretical research. However, most existing theoretical work primarily analyzes its full-batch version, which differs fundamentally from the stochastic variant used in practice. Unlike SGD, stochastic Adam does not converge to its full-batch counterpart even with infinitesimal learning rates. We present the first theoretical characterization of how batch size affects Adam's generalization, analyzing two-layer over-parameterized CNNs on image data. Our results reveal that while both Adam and AdamW with proper weight decay $λ$ converge to poor test error solutions, their mini-batch variants can achieve near-zero test error. We further prove Adam has a strictly smaller effective weight decay bound than AdamW, theoretically explaining why Adam requires more sensitive $λ$ tuning. Extensive experiments validate our findings, demonstrating the critical role of batch size and weight decay in Adam's generalization performance.
Diffusion Tree Sampling: Scalable inference‑time alignment of diffusion models
Venue: Conference NeurIPS 2025
Year: 2025

Adapting a pretrained diffusion model to new objectives at inference time remains an open problem in generative modeling. Existing steering methods suffer from inaccurate value estimation, especially at high noise levels, which biases guidance. Moreover, information from past runs is not reused to improve sample quality, resulting in inefficient use of compute. Inspired by the success of Monte Carlo Tree Search, we address these limitations by casting inference-time alignment as a search problem that reuses past computations. We introduce a tree-based approach that samples from the reward-aligned target density by propagating terminal rewards back through the diffusion chain and iteratively refining value estimates with each additional generation. Our proposed method, Diffusion Tree Sampling (DTS), produces asymptotically exact samples from the target distribution in the limit of infinite rollouts, and its greedy variant, Diffusion Tree Search (DTS$^\star$), performs a global search for high reward samples. On MNIST and CIFAR-10 class-conditional generation, DTS matches the FID of the best-performing baseline with up to $10\times$ less compute. In text-to-image generation and language completion tasks, DTS$^\star$ effectively searches for high reward samples that match best-of-N with up to $5\times$ less compute. By reusing information from previous generations, we get an anytime algorithm that turns additional compute into steadily better samples, providing a scalable approach for inference-time alignment of diffusion models.
Inference-Time Reward Hacking in Large Language Models
Venue: Conference NeurIPS 2025
Year: 2025

A common paradigm to improve the performance of large language models is optimizing for a reward model. Reward models assign a numerical score to an LLM's output that indicates, for example, how likely it is to align with user preferences or safety goals. However, reward models are never perfect. They inevitably function as proxies for complex desiderata such as correctness, helpfulness, and safety. By overoptimizing for a misspecified reward, we can subvert intended alignment goals and reduce overall performance, a phenomenon commonly referred to as reward hacking. In this work, we characterize reward hacking in inference-time alignment and demonstrate when and how we can mitigate it by hedging on the proxy reward. We study this phenomenon under Best-of-$n$ (BoN) and Soft Best-of-$n$ (SBoN), and we introduce Best-of-Poisson (BoP) that provides an efficient, near-exact approximation of the optimal reward-KL divergence policy at inference time. We show that the characteristic pattern of hacking as observed in practice (where the true reward first increases before declining) is an inevitable property of a broad class of inference-time mechanisms, including BoN and BoP. To counter this effect, we introduce HedgeTune, an efficient algorithm to find the optimal inference-time parameter. We demonstrate that hedging mitigates reward hacking and achieves superior reward-distortion tradeoffs on math, reasoning, and human-preference setups.
Constant Bit-size Transformers Are Turing Complete
Venue: Conference NeurIPS 2025
Year: 2025

We prove that any Turing machine running on inputs of arbitrary length can be simulated by a constant bit-size transformer, as long as the context window is sufficiently long. This improves previous works, which require scaling up either the model's precision or the number of parameters on longer inputs. Furthermore, we prove that the complexity class SPACE$[s(n)]$ exactly characterizes the expressive power of a constant bit-size transformer with a context window of length $s(n)$. Our approach relies on simulating Post machines, a Turing-complete computational model. Post machines can be modeled as automata equipped with a queue, exhibiting computational behaviors naturally aligned with those of transformers. The behavioral similarity between transformers and Post machines may offer new insights into the mechanisms underlying the reasoning abilities of transformers.
DINGO: Constrained Inference for Diffusion LLMs
Venue: Conference NeurIPS 2025
Year: 2025

Diffusion LLMs have emerged as a promising alternative to conventional autoregressive LLMs, offering significant potential for improved runtime efficiency. However, existing diffusion models lack the ability 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 that generate tokens sequentially, diffusion LLMs predict a block of tokens in parallel. This parallelism makes traditional constrained decoding algorithms, which are designed for 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 satisfying any user-specified regular expression. On standard symbolic math and JSON generation benchmarks, DINGO achieves up to a 68 percentage point improvement over unconstrained inference
FORLA: Federated Object-Centric Representation Learning with Slot Attention
Venue: Conference NeurIPS 2025
Year: 2025

Learning efficient visual representations across heterogeneous unlabeled datasets remains a central challenge in federated learning. Effective federated representations require features that are jointly informative across clients while disentangling domain-specific factors without supervision. We introduce FORLA, a novel framework for federated object-centric representation learning and feature adaptation across clients using unsupervised slot attention. At the core of our method is a shared feature adapter, trained collaboratively across clients to adapt features from foundation models, and a shared slot attention module that learns to reconstruct the adapted features. To optimize this adapter, we design a two-branch student-teacher architecture. In each client, a student decoder learns to reconstruct full features from foundation models, while a teacher decoder reconstructs their adapted, low-dimensional counterpart. The shared slot attention module bridges cross-domain learning by aligning object-level representations across clients. Experiments in multiple real-world datasets show that our framework not only outperforms centralized baselines on object discovery but also learns a compact, universal representation that generalizes well across domains. This work highlights federated slot attention as an effective tool for scalable, unsupervised visual representation learning from cross-domain data with distributed concepts.
ROOT: Rethinking Offline Optimization as Distributional Translation via Probabilistic Bridge
Venue: Conference NeurIPS 2025
Year: 2025

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.
UMAMI: Unifying Masked Autoregressive Models and Deterministic Rendering for View Synthesis
Venue: Conference NeurIPS 2025
Year: 2025

Novel view synthesis (NVS) seeks to render photorealistic, 3D-consistent images of a scene from unseen camera poses given only a sparse set of posed views. Existing deterministic networks render observed regions quickly but blur unobserved areas, whereas stochastic diffusion-based methods hallucinate plausible content yet incur heavy training- and inference-time costs. In this paper, we propose a hybrid framework that unifies the strengths of both paradigms. A bidirectional transformer encodes multi-view image tokens and Plucker-ray embeddings, producing a shared latent representation. Two lightweight heads then act on this representation: (i) a feed-forward regression head that renders pixels where geometry is well constrained, and (ii) a masked autoregressive diffusion head that completes occluded or unseen regions. The entire model is trained end-to-end with joint photometric and diffusion losses, without handcrafted 3D inductive biases, enabling scalability across diverse scenes. Experiments demonstrate that our method attains state-of-the-art image quality while reducing rendering time by an order of magnitude compared with fully generative baselines.
The Emergence of Abstract Thought in Large Language Models Beyond Any Language
Venue: Conference NeurIPS 2025
Year: 2025

As large language models (LLMs) continue to advance, their capacity to function effectively across a diverse range of languages has shown marked improvement. Preliminary studies observe that the hidden activations of LLMs often resemble English, even when responding to non-English prompts. This has led to the widespread assumption that LLMs may "think" in English. However, more recent results showing strong multilingual performance, even surpassing English performance on specific tasks in other languages, challenge this view. In this work, we find that LLMs progressively develop a core language-agnostic parameter space-a remarkably small subset of parameters whose deactivation results in significant performance degradation across all languages. This compact yet critical set of parameters underlies the model's ability to generalize beyond individual languages, supporting the emergence of abstract thought that is not tied to any specific linguistic system. Specifically, we identify language-related neurons-those are consistently activated during the processing of particular languages, and categorize them as either shared (active across multiple languages) or exclusive (specific to one). As LLMs undergo continued development over time, we observe a marked increase in both the proportion and functional importance of shared neurons, while exclusive neurons progressively diminish in influence. These shared neurons constitute the backbone of the core language-agnostic parameter space, supporting the emergence of abstract thought. Motivated by these insights, we propose neuron-specific training strategies tailored to LLMs' language-agnostic levels at different development stages. Experiments across diverse LLM families support our approach.
Online Convex Optimization with Heavy Tails: Old Algorithms, New Regrets, and Applications
Venue: Conference NeurIPS 2025
Year: 2025

In Online Convex Optimization (OCO), when the stochastic gradient has a finite variance, many algorithms provably work and guarantee a sublinear regret. However, limited results are known if the gradient estimate has a heavy tail, i.e., the stochastic gradient only admits a finite $\mathsf{p}$-th central moment for some $\mathsf{p}\in\left(1,2\right]$. Motivated by it, this work examines different old algorithms for OCO (e.g., Online Gradient Descent) in the more challenging heavy-tailed setting. Under the standard bounded domain assumption, we establish new regrets for these classical methods without any algorithmic modification. Remarkably, these regret bounds are fully optimal in all parameters (can be achieved even without knowing $\mathsf{p}$), suggesting that OCO with heavy tails can be solved effectively without any extra operation (e.g., gradient clipping). Our new results have several applications. A particularly interesting one is the first provable and optimal convergence result for nonsmooth nonconvex optimization under heavy-tailed noise without gradient clipping. Furthermore, we explore broader settings (e.g., smooth OCO) and extend our ideas to optimistic algorithms to handle different cases simultaneously.
Go With the Flow: Fast Diffusion for Gaussian Mixture Models
Venue: Conference NeurIPS 2025
Year: 2025

Schrodinger Bridges (SBs) are diffusion processes that steer, in finite time, a given initial distribution to another final one while minimizing a suitable cost functional. Although various methods for computing SBs have recently been proposed in the literature, most of these approaches require computationally expensive training schemes, even for solving low-dimensional problems. In this work, we propose an analytic parametrization of a set of feasible policies for steering the distribution of a dynamical system from one Gaussian Mixture Model (GMM) to another. Instead of relying on standard non-convex optimization techniques, the optimal policy within the set can be approximated as the solution of a low-dimensional linear program whose dimension scales linearly with the number of components in each mixture. The proposed method generalizes naturally to more general classes of dynamical systems, such as controllable linear time-varying systems, enabling efficient solutions to multi-marginal momentum SBs between GMMs, a challenging distribution interpolation problem. We showcase the potential of this approach in low-to-moderate dimensional problems such as image-to-image translation in the latent space of an autoencoder, learning of cellular dynamics using multi-marginal momentum SBs, and various other examples. The implementation is publicly available at https://github.com/georgeRapa/GMMflow.
Treasure Hunt: Real-time Targeting of the Long Tail using Training-Time Markers
Venue: Conference NeurIPS 2025
Year: 2025

One of the most profound challenges of modern machine learning is performing well on the long-tail of rare and underrepresented features. Large general-purpose models are trained for many tasks, but work best on high-frequency use cases. After training, it is hard to adapt a model to perform well on specific use cases underrepresented in the training corpus. Relying on prompt engineering or few-shot examples to maximize the output quality on a particular test case can be frustrating, as models can be highly sensitive to small changes, react in unpredicted ways or rely on a fixed system prompt for maintaining performance. In this work, we ask: "Can we optimize our training protocols to both improve controllability and performance on underrepresented use cases at inference time?" We revisit the divide between training and inference techniques to improve long-tail performance while providing users with a set of control levers the model is trained to be responsive to. We create a detailed taxonomy of data characteristics and task provenance to explicitly control generation attributes and implicitly condition generations at inference time. We fine-tune a base model to infer these markers automatically, which makes them optional at inference time. This principled and flexible approach yields pronounced improvements in performance, especially on examples from the long tail of the training distribution. While we observe an average lift of 5.7% win rates in open-ended generation quality with our markers, we see over 9.1% gains in underrepresented domains. We also observe relative lifts of up to 14.1% on underrepresented tasks like CodeRepair and absolute improvements of 35.3% on length instruction following evaluations.
Heterogeneity in Multi-Agent Reinforcement Learning
Venue: Conference NeurIPS 2025
Year: 2025

Heterogeneity is a fundamental property in multi-agent reinforcement learning (MARL), which is closely related not only to the functional differences of agents, but also to policy diversity and environmental interactions. However, the MARL field currently lacks a rigorous definition and deeper understanding of heterogeneity. This paper systematically discusses heterogeneity in MARL from the perspectives of definition, quantification, and utilization. First, based on an agent-level modeling of MARL, we categorize heterogeneity into five types and provide mathematical definitions. Second, we define the concept of heterogeneity distance and propose a practical quantification method. Third, we design a heterogeneity-based multi-agent dynamic parameter sharing algorithm as an example of the application of our methodology. Case studies demonstrate that our method can effectively identify and quantify various types of agent heterogeneity. Experimental results show that the proposed algorithm, compared to other parameter sharing baselines, has better interpretability and stronger adaptability. The proposed methodology will help the MARL community gain a more comprehensive and profound understanding of heterogeneity, and further promote the development of practical algorithms.
AttentionPredictor: Temporal Patterns Matter for KV Cache Compression
Venue: Conference NeurIPS 2025
Year: 2025

With the development of large language models (LLMs), efficient inference through Key-Value (KV) cache compression has attracted considerable attention, especially for long-context generation. To compress the KV cache, recent methods identify critical KV tokens through static modeling of attention scores. However, these methods often struggle to accurately determine critical tokens as they neglect the temporal patterns in attention scores, resulting in a noticeable degradation in LLM performance. To address this challenge, we propose AttentionPredictor, which is the first learning-based method to directly predict attention patterns for KV cache compression and critical token identification. Specifically, AttentionPredictor learns a lightweight, unified convolution model to dynamically capture spatiotemporal patterns and predict the next-token attention scores. An appealing feature of AttentionPredictor is that it accurately predicts the attention score and shares the unified prediction model, which consumes negligible memory, among all transformer layers. Moreover, we propose a cross-token critical cache prefetching framework that hides the token estimation time overhead to accelerate the decoding stage. By retaining most of the attention information, AttentionPredictor achieves 13$\times$ KV cache compression and 5.6$\times$ speedup in a cache offloading scenario with comparable LLM performance, significantly outperforming the state-of-the-arts. The code is available at https://github.com/MIRALab-USTC/LLM-AttentionPredictor.