arXiv:2507.20230cs.AIcs.CV2025-07被引 2

用多智能体系统从化学文献中自动提取复杂图文信息,准确率远超旧方法。

A Multi-Agent System Enables Versatile Information Extraction from the Chemical Literature

  • 设计多智能体协作框架,分解任务并调用专业工具精准处理
  • 在化学反应图谱数据集上达到76.27%的F1分数,显著超越此前最佳39.13%
  • 适用于分子图像识别、文本反应提取等多样任务,适合科研自动化场景

为加速人工智能驱动的化学研究,高质量化学数据库是基础。从文献中自动提取化学信息对构建反应数据库至关重要,但受限于化学信息的多模态性和风格差异。本文开发了一种基于多模态大语言模型(MLLM)的多智能体系统,利用MLLM强推理能力理解多样化学图形,并将提取任务分解为子任务。随后,协调一组专用智能体,每个结合了MLLM能力与特定工具和网络服务的精确性,以准确解决子任务并整合结果为统一输出。该系统在来自文献的复杂多模态化学反应图形基准数据集上取得76.27%的F1分数,显著优于此前最先进模型(39.13%)。此外,其在分子图像识别、反应图像解析、命名实体识别和基于文本的反应提取等多种任务中均表现出色。本工作是迈向自动化化学信息结构化提取的关键一步,将有力推动人工智能驱动的化学研究。

原文摘要 · Abstract (English)

To fully expedite AI-powered chemical research, high-quality chemical databases are the foundation. Automatic extraction of chemical information from the literature is essential for constructing reaction databases, but it is currently limited by the multimodality and style variability of chemical information. In this work, we developed a multimodal large language model (MLLM)-based multi-agent system for robust and automated chemical information extraction. It utilizes the MLLM's strong reasoning capability to understand the structure of diverse chemical graphics and decompose the extraction task into sub-tasks. It then coordinates a set of specialized agents, each combining the capabilities of the MLLM with the precise, domain-specific strengths of dedicated tools and web services, to solve the subtasks accurately and integrate the results into a unified output. Our system achieved an F1 score of 76.27% on a benchmark dataset of sophisticated multimodal chemical reaction graphics from the literature, surpassing the previous state-of-the-art model (F1 score of 39.13%) by a significant margin. Additionally, it demonstrated versatile applicability in a range of other information extraction tasks, including molecular image recognition, reaction image parsing, named entity recognition and text-based reaction extraction. This work is a critical step toward automated chemical information extraction into structured datasets, which will be a strong promoter of AI-driven chemical research.

化学信息提取多智能体系统多模态大模型文献自动化

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