Data - driven approaches such as deep learning can result in predictive models for material properties with exceptional accuracy and efficiency. However, in many applications, data is sparse, severely limiting their accuracy and applicability . To improve predictions, techniques such as transfer learning and multi - task learning have been used. T he performance of multi - task learning models depend s on the strength of the underlying correlations between tasks and the completeness of the dataset . S tandard multi - task models tend to underperform when trained on sparse datasets with weakly correlated properties. To address this gap, we fuse deep - learned embeddings generated by independent pre - trained single - task models, resulting in a multi - task model that inherit s rich, property - specific representations. By re - using (rather than re - training) these embeddings, the resulting fused model outperforms standard multi - task models and can be extended with fewer trainable parameters . We demonstrate this technique on a widely used benchmark dataset of quantum chemistry data for small molecules as well as a newly compiled sparse dataset of experimental data collected from literature and our own quant um chemistry and thermochemical calculations.

Virtual Reality (VR) games require players to translate high-level semantic actions into precise device manipulations using controllers and head-mounted displays (HMDs). While humans intuitively perform this translation based on common sense and embodied understanding, whether Large Language Models (LLMs) can effectively replicate this ability remains underexplored. This paper introduces a benchmark, ComboBench, evaluating LLMs' capability to translate semantic actions into VR device manipulation sequences across 262 scenarios from four popular VR games: Half-Life: Alyx, Into the Radius, Moss: Book II, and Vivecraft. We evaluate seven LLMs, including GPT-3.5, GPT-4, GPT-4o, Gemini-1.5-Pro, LLaMA-3-8B, Mixtral-8x7B, and GLM-4-Flash, compared against annotated ground truth and human performance. Our results reveal that while top-performing models like Gemini-1.5-Pro demonstrate strong task decomposition capabilities, they still struggle with procedural reasoning and spatial understanding compared to humans. Performance varies significantly across games, suggesting sensitivity to interaction complexity. Few-shot examples substantially improve performance, indicating potential for targeted enhancement of LLMs' VR manipulation capabilities. We release all materials at https://sites.google.com/view/combobench.

Public research results on large-scale supervised finetuning of AI agents remain relatively rare, since the collection of agent training data presents unique challenges. In this work, we argue that the bottleneck is not a lack of underlying data sources, but that a large variety of data is fragmented across heterogeneous formats, tools, and interfaces. To this end, we introduce the agent data protocol (ADP), a light-weight representation language that serves as an "interlingua" between agent datasets in diverse formats and unified agent training pipelines downstream. The design of ADP is expressive enough to capture a large variety of tasks, including API/tool use, browsing, coding, software engineering, and general agen-tic workflows, while remaining simple to parse and train on without engineering at a per-dataset level. In experiments, we unified a broad collection of 13 existing agent training datasets into ADP format, and converted the standardized ADP data into training-ready formats for multiple agent frameworks. We performed SFT on these data, and demonstrated an average performance gain of 20% over corresponding base models, and delivers state-of-the-art or near-SOT A performance on standard coding, browsing, tool use, and research benchmarks, without domain-specific tuning. All code and data are released publicly, in the hope that ADP could help lower the barrier to standardized, scalable, and reproducible agent training. In contrast, post-training presents a much harder challenge: high-quality task-specific data must be carefully curated.

Training large language model agents on tasks at the frontier of their capabilities is key to unlocking advanced reasoning. We introduce a data synthesis approach inspired by the educational theory of the Zone of Proximal Development (ZPD), which defines this frontier as tasks an LLM cannot solve alone but can master with guidance. To operationalize this, we present the AgentFrontier Engine, an automated pipeline that synthesizes high-quality, multidisciplinary data situated precisely within the LLM's ZPD. This engine supports both continued pre-training with knowledge-intensive data and targeted post-training on complex reasoning tasks. From the same framework, we derive the ZPD Exam, a dynamic and automated benchmark designed to evaluate agent capabilities on these frontier tasks. We train AgentFrontier-30B-A3B model on our synthesized data, which achieves state-of-the-art results on demanding benchmarks like Humanity's Last Exam, even surpassing some leading proprietary agents. Our work demonstrates that a ZPD-guided approach to data synthesis offers a scalable and effective path toward building more capable LLM agents.

LLM-based search agents are increasingly trained on entity-centric synthetic data to solve complex, knowledge-intensive tasks. However, prevailing training methods like Group Relative Policy Optimization (GRPO) discard this rich entity information, relying instead on sparse, outcome-based rewards. This critical limitation renders them unable to distinguish informative "near-miss" samples-those with substantially correct reasoning but a flawed final answer-from complete failures, thus discarding valuable learning signals. We address this by leveraging the very entities discarded during training. Our empirical analysis reveals a strong positive correlation between the number of ground-truth entities identified during an agent's reasoning process and final answer accuracy. Building on this insight, we introduce Entity-aware Group Relative Policy Optimization (E-GRPO), a novel framework that formulates a dense entity-aware reward function. E-GRPO assigns partial rewards to incorrect samples proportional to their entity match rate, enabling the model to effectively learn from these "near-misses". Experiments on diverse question-answering (QA) and deep research benchmarks show that E-GRPO consistently and significantly outperforms the GRPO baseline. Furthermore, our analysis reveals that E-GRPO not only achieves superior accuracy but also induces more efficient reasoning policies that require fewer tool calls, demonstrating a more effective and sample-efficient approach to aligning search agents.

Self-improving systems require environmental interaction for continuous adaptation. We introduce SPICE (Self-Play In Corpus Environments), a reinforcement learning framework where a single model acts in two roles: a Challenger that mines documents from a large corpus to generate diverse reasoning tasks, and a Reasoner that solves them. Through adversarial dynamics, the Challenger creates an automatic curriculum at the frontier of the Reasoner's capability, while corpus grounding provides the rich, near-inexhaustible external signal necessary for sustained improvement. Unlike existing ungrounded self-play methods that offer more limited benefits, SPICE achieves consistent gains across mathematical (+8.9%) and general reasoning (+9.8%) benchmarks on multiple model families. Our analysis reveals how document grounding is a key ingredient in SPICE to continuously generate its own increasingly challenging goals and achieve them, enabling sustained self-improvement.

Large language models (LLMs) have gained significant traction in medical decision support systems, particularly in the context of medical question answering and role-playing simulations. A common practice, Prompt-Based Role Playing (PBRP), instructs models to adopt different clinical roles (e.g., medical students, residents, attending physicians) to simulate varied professional behaviors. However, the impact of such role prompts on model reasoning capabilities remains unclear. This study introduces the RP-Neuron-Activated Evaluation Framework(RPNA) to evaluate whether role prompts induce distinct, role-specific cognitive processes in LLMs or merely modify linguistic style. We test this framework on three medical QA datasets, employing neuron ablation and representation analysis techniques to assess changes in reasoning pathways. Our results demonstrate that role prompts do not significantly enhance the medical reasoning abilities of LLMs. Instead, they primarily affect surface-level linguistic features, with no evidence of distinct reasoning pathways or cognitive differentiation across clinical roles. Despite superficial stylistic changes, the core decision-making mechanisms of LLMs remain uniform across roles, indicating that current PBRP methods fail to replicate the cognitive complexity found in real-world medical practice. This highlights the limitations of role-playing in medical AI and emphasizes the need for models that simulate genuine cognitive processes rather than linguistic imitation.We have released the related code in the following repository:https: //github.com/IAAR-Shanghai/RolePlay_LLMDoctor

Abstract--For amputees with powered transfemoral prosthetics, navigating obstacles or complex terrain remains challenging. This study addresses this issue by using an inertial sensor on the sound ankle to guide obstacle-crossing movements. A genetic algorithm computes the optimal neural network structure to predict the required angles of the thigh and knee joints. A gait progression prediction algorithm determines the actuation angle index for the prosthetic knee motor, ultimately defining the necessary thigh and knee angles and gait progression. Results show that when the standard deviation of Gaussian noise added to the thigh angle data is less than 1, the method can effectively eliminate noise interference, achieving 100% accuracy in gait phase estimation under 150 Hz, with thigh angle prediction error being 8.71% and knee angle prediction error being 6.78%. These findings demonstrate the method's ability to accurately predict gait progression and joint angles, offering significant practical value for obstacle negotiation in powered transfemoral prosthetics.

With the increasing integration of intelligent driving functions into serial-produced vehicles, ensuring their functionality and robustness poses greater challenges. Compared to traditional road testing, scenario-based virtual testing offers significant advantages in terms of time and cost efficiency, reproducibility, and exploration of edge cases. We propose a Transformer-enhanced Conditional Variational Autoencoder (CVAE-T) model for generating multi-agent traffic scenarios in roundabouts, which are characterized by high vehicle dynamics and complex layouts, yet remain relatively underexplored in current research. The results show that the proposed model can accurately reconstruct original scenarios and generate realistic, diverse synthetic scenarios. Besides, two Key-Performance-Indicators (KPIs) are employed to evaluate the interactive behavior in the generated scenarios. Analysis of the latent space reveals partial disentanglement, with several latent dimensions exhibiting distinct and interpretable effects on scenario attributes such as vehicle entry timing, exit timing, and velocity profiles. The results demonstrate the model's capability to generate scenarios for the validation of intelligent driving functions involving multi-agent interactions, as well as to augment data for their development and iterative improvement.

In this paper, we present a framework for training large language models (LLMs) as diagnostic agents with reinforcement learning, enabling them to manage multi-turn diagnostic processes, adaptively select examinations, and commit to final diagnoses. Unlike instruction-tuned models trained on static case summaries, our method acquires diagnostic strategies through interactive exploration and outcome-based feedback. Our contributions are fourfold: (i) We present DiagGym, a diagnostics world model trained with electronic health records that emits examination outcomes conditioned on patient history and recommended examination, serving as a virtual clinical environment for realistic diagnosis training and evaluation; (ii) We train DiagAgent via end-to-end, multi-turn reinforcement learning to learn diagnostic policies that optimize both information yield and diagnostic accuracy; (iii) We introduce DiagBench, a diagnostic benchmark comprising 750 cases with physician-validated examination recommendations and 99 cases annotated with 973 physician-written rubrics on diagnosis process; (iv) we demonstrate superior performance across diverse diagnostic settings. DiagAgent significantly outperforms 10 state-of-the-art LLMs, including DeepSeek-v3 and GPT-4o, as well as two prompt-engineered agents. In single-turn settings, DiagAgent achieves 9.34% higher diagnostic accuracy and 44.03% improvement in examination recommendation hit ratio. In end-to-end settings, it delivers 15.12% increase in diagnostic accuracy and 23.09% boost in examination recommendation F1 score. In rubric-based evaluation, it surpasses the next-best model, Claude-sonnet-4, by 7.1% in weighted rubric score. These findings indicate that learning policies in interactive clinical environments confers dynamic and clinically meaningful diagnostic management abilities unattainable through passive training alone.