OpenRaiser/Intern-Atlas huggingface dataset:
Does Thinking More Always Help? Mirage of Test-Time Scaling in Reasoning Models
Venue: Conference NeurIPS 2025
Year: 2025

Recent trends in test-time scaling for reasoning models (e.g., OpenAI o1, DeepSeek R1) have led to a popular belief that extending thinking traces using prompts like "Wait" or "Let me rethink" can improve performance. This raises a natural question: Does thinking more at test-time truly lead to better reasoning? To answer this question, we perform a detailed empirical study across models and benchmarks, which reveals a consistent pattern of initial performance improvements from additional thinking followed by a decline, due to "overthinking". To understand this non-monotonic trend, we consider a simple probabilistic model, which reveals that additional thinking increases output variance-creating an illusion of improved reasoning while ultimately undermining precision. Thus, observed gains from "more thinking" are not true indicators of improved reasoning, but artifacts stemming from the connection between model uncertainty and evaluation metric. This suggests that test-time scaling through extended thinking is not an effective way to utilize the inference thinking budget. Recognizing these limitations, we introduce an alternative test-time scaling approach, parallel thinking, inspired by Best-of-N sampling. Our method generates multiple independent reasoning paths within the same inference budget and selects the most consistent response via majority vote, achieving up to 20% higher accuracy compared to extended thinking. This provides a simple yet effective mechanism for test-time scaling of reasoning models.
Alignment of Large Language Models with Constrained Learning
Venue: Conference NeurIPS 2025
Year: 2025

We study the problem of computing an optimal large language model (LLM) policy for the constrained alignment problem, where the goal is to maximize a primary reward objective while satisfying constraints on secondary utilities. Despite the popularity of Lagrangian-based LLM policy search in constrained alignment, iterative primal-dual methods often fail to converge, and non-iterative dual-based methods do not achieve optimality in the LLM parameter space. To address these challenges, we employ Lagrangian duality to develop an iterative dual-based alignment method that alternates between updating the LLM policy via Lagrangian maximization and updating the dual variable via dual descent. In theory, we characterize the primal-dual gap between the primal value in the distribution space and the dual value in the LLM parameter space. We further quantify the optimality gap of the learned LLM policies at near-optimal dual variables with respect to both the objective and the constraint functions. These results prove that dual-based alignment methods can find an optimal constrained LLM policy, up to an LLM parametrization gap. We demonstrate the effectiveness and merits of our approach through extensive experiments conducted on the PKU-SafeRLHF and Anthropic HH-RLHF datasets.
Sketched Gaussian Mechanism for Private Federated Learning
Venue: Conference NeurIPS 2025
Year: 2025

Communication cost and privacy are two major considerations in federated learning (FL). For communication cost, gradient compression by sketching the clients' transmitted model updates is often used for reducing per-round communication. For privacy, the Gaussian mechanism (GM), which consists of clipping updates and adding Gaussian noise, is commonly used to guarantee client-level differential privacy. Existing literature on private FL analyzes privacy of sketching and GM in an isolated manner, illustrating that sketching provides privacy determined by the sketching dimension and that GM has to supply any additional desired privacy. In this paper, we introduce the Sketched Gaussian Mechanism (SGM), which directly combines sketching and the Gaussian mechanism for privacy. Using Rényi-DP tools, we present a joint analysis of SGM's overall privacy guarantee, which is significantly more flexible and sharper compared to isolated analysis of sketching and GM privacy. In particular, we prove that the privacy level of SGM for a fixed noise magnitude is proportional to $1/\sqrt{b}$, where $b$ is the sketching dimension, indicating that (for moderate $b$) SGM can provide much stronger privacy guarantees than the original GM under the same noise budget. We demonstrate the application of SGM to FL with either gradient descent or adaptive server optimizers, and establish theoretical results on optimization convergence, which exhibits only a logarithmic dependence on the number of parameters $d$. Experimental results confirm that at the same privacy level, SGM based FL is at least competitive with non-sketching private FL variants and outperforms them in some settings. Moreover, using adaptive optimization at the server improves empirical performance while maintaining the privacy guarantees.
Joint‑Embedding vs Reconstruction: Provable Benefits of Latent Space Prediction for Self‑Supervised Learning
Venue: Conference NeurIPS 2025
Year: 2025

Reconstruction and joint embedding have emerged as two leading paradigms in Self Supervised Learning (SSL). Reconstruction methods focus on recovering the original sample from a different view in input space. On the other hand, joint embedding methods align the representations of different views in latent space. Both approaches offer compelling advantages, yet practitioners lack clear guidelines for choosing between them. In this work, we unveil the core mechanisms that distinguish each paradigm. By leveraging closed form solutions for both approaches, we precisely characterize how the view generation process, e.g. data augmentation, impacts the learned representations. We then demonstrate that, unlike supervised learning, both SSL paradigms require a minimal alignment between augmentations and irrelevant features to achieve asymptotic optimality with increasing sample size. Our findings indicate that in scenarios where these irrelevant features have a large magnitude, joint embedding methods are preferable because they impose a strictly weaker alignment condition compared to reconstruction based methods. These results not only clarify the trade offs between the two paradigms but also substantiate the empirical success of joint embedding approaches on real world challenging datasets.
Language Model Behavioral Phases are Consistent Across Architecture, Training Data, and Scale
Venue: Conference NeurIPS 2025
Year: 2025

We show that across architecture (Transformer vs. Mamba vs. RWKV), training dataset (OpenWebText vs. The Pile), and scale (14 million parameters to 12 billion parameters), autoregressive language models exhibit highly consistent patterns of change in their behavior over the course of pretraining. Based on our analysis of over 1,400 language model checkpoints on over 110,000 tokens of English, we find that up to 98% of the variance in language model behavior at the word level can be explained by three simple heuristics: the unigram probability (frequency) of a given word, the $n$-gram probability of the word, and the semantic similarity between the word and its context. Furthermore, we see consistent behavioral phases in all language models, with their predicted probabilities for words overfitting to those words' $n$-gram probabilities for increasing $n$ over the course of training. Taken together, these results suggest that learning in neural language models may follow a similar trajectory irrespective of model details.
Compress, Gather, and Recompute: REFORMing Long-Context Processing in Transformers
Venue: Conference NeurIPS 2025
Year: 2025

As large language models increasingly gain popularity in real-world applications, processing extremely long contexts, often exceeding the model's pre-trained context limits, has emerged as a critical challenge. While existing approaches to efficient long-context processing show promise, recurrent compression-based methods struggle with information preservation, whereas random access approaches require substantial memory resources. We introduce REFORM, a novel inference framework that efficiently handles long contexts through a two-phase approach. First, it incrementally processes input chunks while maintaining a compressed KV cache, constructs cross-layer context embeddings, and utilizes early exit strategy for improved efficiency. Second, it identifies and gathers essential tokens via similarity matching and selectively recomputes the KV cache. Compared to baselines, REFORM achieves over 52% and 34% performance gains on RULER and BABILong respectively at 1M context length. It also outperforms baselines on Infinite-Bench, RepoEval, and MM-NIAH, demonstrating flexibility across diverse tasks and domains. Additionally, REFORM reduces inference time by 30% and peak memory usage by 5%, achieving both efficiency and superior performance.
Reinforcement Learning for Reasoning in Large Language Models with One Training Example
Venue: Conference NeurIPS 2025
Year: 2025

We show that reinforcement learning with verifiable reward using one training example (1-shot RLVR) is effective in incentivizing the math reasoning capabilities of large language models (LLMs). Applying RLVR to the base model Qwen2.5-Math-1.5B, we identify a single example that elevates model performance on MATH500 from 36.0% to 73.6% (8.6% improvement beyond format correction), and improves the average performance across six common mathematical reasoning benchmarks from 17.6% to 35.7% (7.0% non-format gain). This result matches the performance obtained using the 1.2k DeepScaleR subset (MATH500: 73.6%, average: 35.9%), which contains the aforementioned example. Furthermore, RLVR with only two examples even slightly exceeds these results (MATH500: 74.8%, average: 36.6%). Similar substantial improvements are observed across various models (Qwen2.5-Math-7B, Llama3.2-3B-Instruct, DeepSeek-R1-Distill-Qwen-1.5B), RL algorithms (GRPO and PPO), and different math examples. In addition, we identify some interesting phenomena during 1-shot RLVR, including cross-category generalization, increased frequency of self-reflection, and sustained test performance improvement even after the training accuracy has saturated, a phenomenon we term post-saturation generalization. Moreover, we verify that the effectiveness of 1-shot RLVR primarily arises from the policy gradient loss, distinguishing it from the "grokking" phenomenon. We also show the critical role of promoting exploration (e.g., by incorporating entropy loss with an appropriate coefficient) in 1-shot RLVR training. We also further discuss related observations about format correction, label robustness and prompt modification. These findings can inspire future work on RLVR efficiency and encourage a re-examination of recent progress and the underlying mechanisms in RLVR. All resources are open source at https://github.com/ypwang61/One-Shot-RLVR.
LMFusion: Adapting Pretrained Language Models for Multimodal Generation
Venue: Conference NeurIPS 2025
Year: 2025

We present LMFusion, a framework for empowering pretrained text-only large language models (LLMs) with multimodal generative capabilities, enabling them to understand and generate both text and images in arbitrary sequences. LMFusion leverages existing Llama-3's weights for processing texts autoregressively while introducing additional and parallel transformer modules for processing images with diffusion. During training, the data from each modality is routed to its dedicated modules: modality-specific feedforward layers, query-key-value projections, and normalization layers process each modality independently, while the shared self-attention layers allow interactions across text and image features. By freezing the text-specific modules and only training the image-specific modules, LMFusion preserves the language capabilities of text-only LLMs while developing strong visual understanding and generation abilities. Compared to methods that pretrain multimodal generative models from scratch, our experiments demonstrate that, LMFusion improves image understanding by 20% and image generation by 3.6% using only 50% of the FLOPs while maintaining Llama-3's language capabilities. We also demonstrate that this framework can adapt existing vision-language models with multimodal generation ability. Overall, this framework not only leverages existing computational investments in text-only LLMs but also enables the parallel development of language and vision capabilities, presenting a promising direction for efficient multimodal model development.
Accelerating data-driven algorithm selection for combinatorial partitioning problems
Venue: Conference NeurIPS 2025
Year: 2025

Data-driven algorithm selection is a powerful approach for choosing effective heuristics for computational problems. It operates by evaluating a set of candidate algorithms on a collection of representative training instances and selecting the one with the best empirical performance. However, running each algorithm on every training instance is computationally expensive, making scalability a central challenge. In practice, a common workaround is to evaluate algorithms on smaller proxy instances derived from the original inputs. However, this practice has remained largely ad hoc and lacked theoretical grounding. We provide the first theoretical foundations for this practice by formalizing the notion of size generalization: predicting an algorithm's performance on a large instance by evaluating it on a smaller, representative instance, subsampled from the original instance. We provide size generalization guarantees for three widely used clustering algorithms (single-linkage, $k$-means++, and Gonzalez's $k$-centers heuristic) and two canonical max-cut algorithms (Goemans-Williamson and Greedy). We characterize the subsample size sufficient to ensure that performance on the subsample reflects performance on the full instance, and our experiments support these findings.
Learning Linear Attention in Polynomial Time
Venue: Conference NeurIPS 2025
Year: 2025

Previous research has explored the computational expressivity of Transformer models in simulating Boolean circuits or Turing machines. However, the learnability of these simulators from observational data has remained an open question. Our study addresses this gap by providing the first polynomial-time learnability results (specifically strong, agnostic PAC learning) for single-layer Transformers with linear attention. We show that linear attention may be viewed as a linear predictor in a suitably defined RKHS. As a consequence, the problem of learning any linear transformer may be converted into the problem of learning an ordinary linear predictor in an expanded feature space, and any such predictor may be converted back into a multiheaded linear transformer. Moving to generalization, we show how to efficiently identify training datasets for which every empirical risk minimizer is equivalent (up to trivial symmetries) to the linear Transformer that generated the data, thereby guaranteeing the learned model will correctly generalize across all inputs. Finally, we provide examples of computations expressible via linear attention and therefore polynomial-time learnable, including associative memories, finite automata, and a class of Universal Turing Machine (UTMs) with polynomially bounded computation histories. We empirically validate our theoretical findings on three tasks: learning random linear attention networks, key--value associations, and learning to execute finite automata. Our findings bridge a critical gap between theoretical expressivity and learnability of Transformers, and show that flexible and general models of computation are efficiently learnable.
EddyFormer: Accelerated Neural Simulations of Three-Dimensional Turbulence at Scale
Venue: Conference NeurIPS 2025
Year: 2025

Computationally resolving turbulence remains a central challenge in fluid dynamics due to its multi-scale interactions. Fully resolving large-scale turbulence through direct numerical simulation (DNS) is computationally prohibitive, motivating data-driven machine learning alternatives. In this work, we propose EddyFormer, a Transformer-based spectral-element (SEM) architecture for large-scale turbulence simulation that combines the accuracy of spectral methods with the scalability of the attention mechanism. We introduce an SEM tokenization that decomposes the flow into grid-scale and subgrid-scale components, enabling capture of both local and global features. We create a new three-dimensional isotropic turbulence dataset and train EddyFormer to achieves DNS-level accuracy at 256^3 resolution, providing a 30x speedup over DNS. When applied to unseen domains up to 4x larger than in training, EddyFormer preserves accuracy on physics-invariant metrics-energy spectra, correlation functions, and structure functions-showing domain generalization. On The Well benchmark suite of diverse turbulent flows, EddyFormer resolves cases where prior ML models fail to converge, accurately reproducing complex dynamics across a wide range of physical conditions.
Listwise Preference Diffusion Optimization for User Behavior Trajectories Prediction
Venue: Conference NeurIPS 2025
Year: 2025

Forecasting multi-step user behavior trajectories requires reasoning over structured preferences across future actions, a challenge overlooked by traditional sequential recommendation. This problem is critical for applications such as personalized commerce and adaptive content delivery, where anticipating a user's complete action sequence enhances both satisfaction and business outcomes. We identify an essential limitation of existing paradigms: their inability to capture global, listwise dependencies among sequence items. To address this, we formulate User Behavior Trajectory Prediction (UBTP) as a new task setting that explicitly models long-term user preferences. We introduce Listwise Preference Diffusion Optimization (LPDO), a diffusion-based training framework that directly optimizes structured preferences over entire item sequences. LPDO incorporates a Plackett-Luce supervision signal and derives a tight variational lower bound aligned with listwise ranking likelihoods, enabling coherent preference generation across denoising steps and overcoming the independent-token assumption of prior diffusion methods. To rigorously evaluate multi-step prediction quality, we propose the task-specific metric Sequential Match (SeqMatch), which measures exact trajectory agreement, and adopt Perplexity (PPL), which assesses probabilistic fidelity. Extensive experiments on real-world user behavior benchmarks demonstrate that LPDO consistently outperforms state-of-the-art baselines, establishing a new benchmark for structured preference learning with diffusion models.
Exponential Dynamic Energy Network for High Capacity Sequence Memory
Venue: Conference NeurIPS 2025
Year: 2025

The energy paradigm, exemplified by Hopfield networks, offers a principled framework for memory in neural systems by interpreting dynamics as descent on an energy surface. While powerful for static associative memories, it falls short in modeling sequential memory, where transitions between memories are essential. We introduce the Exponential Dynamic Energy Network (EDEN), a novel architecture that extends the energy paradigm to temporal domains by evolving the energy function over multiple timescales. EDEN combines a static high-capacity energy network with a slow, asymmetrically interacting modulatory population, enabling robust and controlled memory transitions. We formally derive short-timescale energy functions that govern local dynamics and use them to analytically compute memory escape times, revealing a phase transition between static and dynamic regimes. The analysis of capacity, defined as the number of memories that can be stored with minimal error rate as a function of the dimensions of the state space (number of feature neurons), for EDEN shows that it achieves exponential sequence memory capacity $O(γ^N)$, outperforming the linear capacity $O(N)$ of conventional models. Furthermore, EDEN's dynamics resemble the activity of time and ramping cells observed in the human brain during episodic memory tasks, grounding its biological relevance. By unifying static and sequential memory within a dynamic energy framework, EDEN offers a scalable and interpretable model for high-capacity temporal memory in both artificial and biological systems.
Purifying Shampoo: Investigating Shampoo's Heuristics by Decomposing its Preconditioner
Venue: Conference NeurIPS 2025
Year: 2025

The recent success of Shampoo in the AlgoPerf contest has sparked renewed interest in Kronecker-factorization-based optimization algorithms for training neural networks. Despite its success, Shampoo relies heavily on several heuristics such as learning rate grafting and stale preconditioning to achieve performance at-scale. These heuristics increase algorithmic complexity, necessitate further hyperparameter tuning, and lack theoretical justification. This paper investigates these heuristics from the angle of Frobenius norm approximation to full-matrix Adam and decouples the preconditioner's eigenvalues and eigenbasis updates. We show that grafting from Adam mitigates the staleness and mis-scaling of the preconditioner's eigenvalues and how correcting the eigenvalues directly eliminates the need for learning rate grafting. To manage the error induced by infrequent eigenbasis computations, we propose an adaptive criterion for determining the eigenbasis computation frequency motivated by terminating a warm-started QR algorithm. This criterion decouples the update frequency of different preconditioner matrices and enables us to investigate the impact of approximation error on convergence. These practical techniques offer a principled angle towards removing Shampoo's heuristics and developing improved Kronecker-factorization-based training algorithms.
Copresheaf Topological Neural Networks: A Generalized Deep Learning Framework
Venue: Conference NeurIPS 2025
Year: 2025

We introduce copresheaf topological neural networks (CTNNs), a powerful unifying framework that encapsulates a wide spectrum of deep learning architectures, designed to operate on structured data, including images, point clouds, graphs, meshes, and topological manifolds. While deep learning has profoundly impacted domains ranging from digital assistants to autonomous systems, the principled design of neural architectures tailored to specific tasks and data types remains one of the field's most persistent open challenges. CTNNs address this gap by formulating model design in the language of copresheaves, a concept from algebraic topology that generalizes most practical deep learning models in use today. This abstract yet constructive formulation yields a rich design space from which theoretically sound and practically effective solutions can be derived to tackle core challenges in representation learning, such as long-range dependencies, oversmoothing, heterophily, and non-Euclidean domains. Our empirical results on structured data benchmarks demonstrate that CTNNs consistently outperform conventional baselines, particularly in tasks requiring hierarchical or localized sensitivity. These results establish CTNNs as a principled multi-scale foundation for the next generation of deep learning architectures.