Hao Li

Hao Li, He Cao, Shenyao Peng et al.

Language models are revolutionizing the biochemistry domain, assisting scientists in drug design and chemical synthesis with high efficiency. Yet current approaches struggle between small language models prone to hallucination and limited knowledge retention, and large cloud-based language models plagued by privacy risks and high inference costs. To bridge this gap, we introduce ChemCRAFT, a novel framework leveraging agentic reinforcement learning to decouple chemical reasoning from knowledge storage. Instead of forcing the model to memorize vast chemical data, our approach empowers the language model to interact with a sandbox for precise information retrieval. This externalization of knowledge allows a locally deployable small model to achieve superior performance with minimal inference costs. To enable small language models for agent-calling ability, we build an agentic trajectory construction pipeline and a comprehensive chemical-agent sandbox. Based on sandbox interactions, we constructed ChemToolDataset, the first large-scale chemical tool trajectory dataset. Simultaneously, we propose SMILES-GRPO to build a dense chemical reward function, promoting the model's ability to call chemical agents. Evaluations across diverse aspects of drug design show that ChemCRAFT outperforms current cloud-based LLMs in molecular structure analysis, molecular optimization, and synthesis pathway prediction, demonstrating that scientific reasoning is not solely an emergent ability of model scale, but a learnable policy of tool orchestration. This work establishes a cost-effective and privacy-preserving paradigm for AI-aided chemistry, opening new avenues for accelerating molecular discovery with locally deployable agents.

Cong Cao, Ren Li, Corentin Dumery et al.

Sewing patterns define the structural foundation of garments and are essential for applications such as fashion design, fabrication, and physical simulation. Despite progress in automated pattern generation, accurately modeling sewing patterns remains difficult due to the broad variability in panel geometry and seam arrangements. In this work, we introduce a sewing pattern modeling method based on an implicit representation. We represent each panel using a signed distance field that defines its boundary and an unsigned distance field that identifies seam endpoints, and encode these fields into a continuous latent space that enables differentiable meshing. A latent flow matching model learns distributions over panel combinations in this representation, and a stitching prediction module recovers seam relations from extracted edge segments. This formulation allows accurate modeling and generation of sewing patterns with complex structures. We further show that it can be used to estimate sewing patterns from images with improved accuracy relative to existing approaches, and supports applications such as pattern completion and refitting, providing a practical tool for digital fashion design.