Abstract:Reinforcement learning with verifiable rewards (RLVR) improves large language model reasoning but often suffers from rapid policy-entropy collapse, where the policy prematurely concentrates on narrow high-probability reasoning paths. While global entropy regularization can encourage exploration, uniformly increasing entropy across all token positions is inefficient for long reasoning trajectories, where many tokens are not decision-relevant. We propose Position-Aware Entropy Calibration (PAEC), a token-level entropy-management framework that constructs a soft mask from local top-p entropy and top-two candidate competition, and applies an anchor-based lower-bound penalty to prevent selected-position entropy collapse. Experiments on five mathematical reasoning benchmarks show that PAEC improves macro-average majority-vote performance over strong RLVR baselines, with clear gains on AIME-style tasks. Our results suggest that entropy management in reasoning RL should be formulated as selective exploration allocation over decision-sensitive positions rather than uniform randomness injection.
Abstract:Progress in AI-driven crystal materials science has so far been carried by narrow architectures purpose-built for individual tasks -- graph neural networks for property prediction, diffusion and flow-matching models for crystal generation -- each excelling within its niche yet unable to act as a shared backbone across the full spectrum of materials problems. Generative large language models offer a fundamentally different paradigm, in which structural representation, quantitative prediction, and structure-activity reasoning can be unified within one model, but the materials community has yet to see this paradigm realized at a level competitive with established narrow specialists. Here we present MatMind, a generative foundation model purpose-built for crystal materials science under this paradigm, developed through the coordinated activation of structure-activity knowledge and physics-informed feedback within a progressive training framework -- combining structure-activity knowledge injection, a dual-head architecture that jointly trains language reasoning and numerical regression in a shared representation space, and multi-objective physics-informed reinforcement learning over stability, novelty, and structural diversity. Across three task families, MatMind attains the lowest mean absolute error on energy above hull, bulk modulus, and band gap -- surpassing graph neural network predictors purpose-built for these tasks -- reaches an S.U.N. rate of 65.3% on unconditional crystal generation, and achieves a comparable multiplicative improvement on magnetization-density-conditioned generation, where only 21 positive samples exist within over 600000 training entries. By matching or surpassing narrow specialists on their own ground while operating within a single unified model, MatMind shows that the LLM-based paradigm can serve as a viable backbone for crystal materials science going forward.
Abstract:Agentic reinforcement learning (RL) can benefit substantially from reusable experience, yet existing skill-based methods mainly extract trajectory-level guidance and often lack principled mechanisms for maintaining an evolving skill memory. We propose D2Skill, a dynamic dual-granularity skill bank for agentic RL that organizes reusable experience into task skills for high-level guidance and step skills for fine-grained decision support and error correction. D2Skill jointly trains the policy and skill bank through paired baseline and skill-injected rollouts under the same policy, using their performance gap to derive hindsight utility signals for both skill updating and policy optimization. Built entirely from training-time experience, the skill bank is continuously expanded through reflection and maintained with utility-aware retrieval and pruning. Experiments on ALFWorld and WebShop with Qwen2.5-7B-Instruct and Qwen3-4B-Instruct-2507 show that D2Skill consistently improves success rates over skill-free baselines by 10-20 points. Further ablations and analyses show that both dual-granularity skill modeling and dynamic skill maintenance are critical to these gains, while the learned skills exhibit higher utility, transfer across evaluation settings, and introduce only modest training overhead.
Abstract:Due to the limited generalization and interpretability of deep learning classifiers, The final vetting of rare celestial object candidates still relies on expert visual inspection--a manually intensive process. In this process, astronomers leverage specialized tools to analyze spectra and construct reliable catalogs. However, this practice has become the primary bottleneck, as it is fundamentally incapable of scaling with the data deluge from modern spectroscopic surveys. To bridge this gap, we propose Spec-o3, a tool-augmented vision-language agent that performs astronomer-aligned spectral inspection via interleaved multimodal chain-of-thought reasoning. Spec-o3 is trained with a two-stage post-training recipe: cold-start supervised fine-tuning on expert inspection trajectories followed by outcome-based reinforcement learning on rare-type verification tasks. Evaluated on five rare-object identification tasks from LAMOST, Spec-o3 establishes a new State-of-the-Art, boosting the macro-F1 score from 28.3 to 76.5 with a 7B parameter base model and outperforming both proprietary VLMs and specialized deep models. Crucially, the agent demonstrates strong generalization to unseen inspection tasks across survey shifts (from LAMOST to SDSS/DESI). Expert evaluations confirm that its reasoning traces are coherent and physically consistent, supporting transparent and trustworthy decision-making. Code, data, and models are available at \href{https://github.com/Maxwell-Jia/spec-o3}{Project HomePage}.
Abstract:Recent advances in handling long sequences have facilitated the exploration of long-context in-context learning (ICL). While much of the existing research emphasizes performance improvements driven by additional in-context examples, the influence on the trustworthiness of generated responses remains underexplored. This paper addresses this gap by investigating how increased examples influence predictive uncertainty, an essential aspect in trustworthiness. We begin by systematically quantifying the uncertainty of ICL with varying shot counts, analyzing the impact of example quantity. Through uncertainty decomposition, we introduce a novel perspective on performance enhancement, with a focus on epistemic uncertainty (EU). Our results reveal that additional examples reduce total uncertainty in both simple and complex tasks by injecting task-specific knowledge, thereby diminishing EU and enhancing performance. For complex tasks, these advantages emerge only after addressing the increased noise and uncertainty associated with longer inputs. Finally, we explore the evolution of internal confidence across layers, unveiling the mechanisms driving the reduction in uncertainty.
Abstract:Recent advances in reasoning language models have witnessed a paradigm shift from short to long CoT pattern. Given the substantial computational cost of rollouts in long CoT models, maximizing the utility of fixed training datasets becomes crucial. Our analysis reveals that negative responses contain valuable components such as self-reflection and error-correction steps, yet primary existing methods either completely discard negative samples (RFT) or apply equal penalization across all tokens (RL), failing to leverage these potential learning signals. In light of this, we propose Behavior Constrained Policy Gradient with Negative Sample Augmentation (BCPG-NSA), a fine-grained offline RL framework that encompasses three stages: 1) sample segmentation, 2) consensus-based step correctness assessment combining LLM and PRM judgers, and 3) policy optimization with NSA designed to effectively mine positive steps within negative samples. Experimental results show that BCPG-NSA outperforms baselines on several challenging math/coding reasoning benchmarks using the same training dataset, achieving improved sample efficiency and demonstrating robustness and scalability when extended to multiple iterations.
Abstract:Many studies focus on data annotation techniques for training effective PRMs. However, current methods encounter a significant issue when applied to long CoT reasoning processes: they tend to focus solely on the first incorrect step and all preceding steps, assuming that all subsequent steps are incorrect. These methods overlook the unique self-correction and reflection mechanisms inherent in long CoT, where correct reasoning steps may still occur after initial reasoning mistakes. To address this issue, we propose a novel data annotation method for PRMs specifically designed to score the long CoT reasoning process. Given that under the reflection pattern, correct and incorrect steps often alternate, we introduce the concepts of Error Propagation and Error Cessation, enhancing PRMs' ability to identify both effective self-correction behaviors and reasoning based on erroneous steps. Leveraging an LLM-based judger for annotation, we collect 1.7 million data samples to train a 7B PRM and evaluate it at both solution and step levels. Experimental results demonstrate that compared to existing open-source PRMs and PRMs trained on open-source datasets, our PRM achieves superior performance across various metrics, including search guidance, BoN, and F1 scores. Compared to widely used MC-based annotation methods, our annotation approach not only achieves higher data efficiency but also delivers superior performance. Detailed analysis is also conducted to demonstrate the stability and generalizability of our method.




Abstract:Large reasoning models (LRMs) are proficient at generating explicit, step-by-step reasoning sequences before producing final answers. However, such detailed reasoning can introduce substantial computational overhead and latency, particularly for simple problems. To address this over-thinking problem, we explore how to equip LRMs with adaptive thinking capabilities: enabling them to dynamically decide whether or not to engage in explicit reasoning based on problem complexity. Building on R1-style distilled models, we observe that inserting a simple ellipsis ("...") into the prompt can stochastically trigger either a thinking or no-thinking mode, revealing a latent controllability in the reasoning behavior. Leveraging this property, we propose AutoThink, a multi-stage reinforcement learning (RL) framework that progressively optimizes reasoning policies via stage-wise reward shaping. AutoThink learns to invoke explicit reasoning only when necessary, while defaulting to succinct responses for simpler tasks. Experiments on five mainstream mathematical benchmarks demonstrate that AutoThink achieves favorable accuracy-efficiency trade-offs compared to recent prompting and RL-based pruning methods. It can be seamlessly integrated into any R1-style model, including both distilled and further fine-tuned variants. Notably, AutoThink improves relative accuracy by 6.4 percent while reducing token usage by 52 percent on DeepSeek-R1-Distill-Qwen-1.5B, establishing a scalable and adaptive reasoning paradigm for LRMs.
Abstract:Continual Pre-Training (CPT) has become a popular and effective method to apply strong foundation models to specific downstream tasks. In this work, we explore the learning dynamics throughout the CPT process for large language models. We specifically focus on how general and downstream domain performance evolves at each training step, with domain performance measured via validation losses. We have observed that the CPT loss curve fundamentally characterizes the transition from one curve to another hidden curve, and could be described by decoupling the effects of distribution shift and learning rate annealing. We derive a CPT scaling law that combines the two factors, enabling the prediction of loss at any (continual) training steps and across learning rate schedules (LRS) in CPT. Our formulation presents a comprehensive understanding of several critical factors in CPT, including loss potential, peak learning rate, training steps, replay ratio, etc. Moreover, our approach can be adapted to customize training hyper-parameters to different CPT goals such as balancing general and domain-specific performance. Extensive experiments demonstrate that our scaling law holds across various CPT datasets and training hyper-parameters.




Abstract:Recent advancements in post-training methodologies for large language models (LLMs) have highlighted reinforcement learning (RL) as a critical component for enhancing reasoning. However, the substantial computational costs associated with RL-based approaches have led to growing interest in alternative paradigms, such as Direct Preference Optimization (DPO). In this study, we investigate the effectiveness of DPO in facilitating self-improvement for LLMs through iterative preference-based learning. We demonstrate that a single round of DPO with coarse filtering significantly enhances mathematical reasoning performance, particularly for strong base model. Furthermore, we design an iterative enhancement framework for both the generator and the reward model (RM), enabling their mutual improvement through online interaction across multiple rounds of DPO. Finally, with simple verifiable rewards, our model DPO-VP achieves RL-level performance with significantly lower computational overhead. These findings highlight DPO as a scalable and cost-effective alternative to RL, offering a practical solution for enhancing LLM reasoning in resource-constrained situations.