Lianrui Hu | Searcharxiv

arXiv2026

AgentChemist: A Multi-Agent Experimental Robotic Platform Integrating Chemical Perception and Precise Control

Chemical laboratory automation has long been constrained by rigid workflows and poor adaptability to the long-tail distribution of experimental tasks. While most automated platforms perform well on a narrow set of standardized procedures, real laboratories involve diverse, infrequent, and evolving operations that fall outside predefined protocols. This mismatch prevents existing systems from generalizing to novel reaction conditions, uncommon instrument configurations, and unexpected procedural variations. We present a multi-agent robotic platform designed to address this long-tail challenge through collaborative task decomposition, dynamic scheduling, and adaptive control. The system integrates chemical perception for real-time reaction monitoring with feedback-driven execution, enabling it to adjust actions based on evolving experimental states rather than fixed scripts. Validation via acid-base titration demonstrates autonomous progress tracking, adaptive dispensing control, and reliable end-to-end experiment execution. By improving generalization across diverse laboratory scenarios, this platform provides a practical pathway toward intelligent, flexible, and scalable laboratory automation.

cs.RO↗

arXiv2025

A Large Language Model for Chemistry and Retrosynthesis Predictions

Large language models (LLM) have achieved impressive progress across a broad range of general-purpose tasks, but their effectiveness in chemistry remains limited due to scarce domain-specific datasets and the demand for precise symbolic and structural reasoning. Here we introduce ECNU-ChemGPT(name after East China Normal University), a chemistry-specialized LLM engineered for deep chemical knowledge understanding and accurate retrosynthetic route planning. Our approach is distinguished by four key strategies: structured prompt-based knowledge distillation from authoritative chemistry textbooks to construct a high-quality question-answering dataset; domain-specific prompt engineering using curated chemical keywords, combined with LLMs APIs for data derivation and knowledge distillation; large-scale fine-tuning on a meticulously cleaned and enriched Pistachio reaction dataset to enhance retrosynthesis prediction accuracy; and integration of BrainGPT, a dynamic multi-model scheduling framework that enables task-specific invocation of multiple specialized models trained for diverse chemistry-related tasks. ECNU-ChemGPT exhibits superior performance on chemistry question-answering and retrosynthetic planning benchmarks, outperforming leading general-purpose models-including Deepseek-R1, Qwen-2.5, and GPT-4o. In retrosynthesis, it achieves a Top-1 accuracy of 68.3% on the USPTO_50K dataset and successfully reconstructed 13 complete experimental pathways for real-world drug molecules from medicinal chemistry journals. These results underscore the effectiveness of domain-adapted fine-tuning combined with dynamic multi-model task scheduling, providing a scalable and robust solution for chemical knowledge question answering and retrosynthetic planning.

physics.chem-ph↗