Agent-based multimodal information extraction for nanomaterials

IF 9.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL
R. Odobesku, K. Romanova, S. Mirzaeva, O. Zagorulko, R. Sim, R. Khakimullin, J. Razlivina, A. Dmitrenko, V. Vinogradov
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Abstract

Automating structured data extraction from scientific literature is a critical challenge with broad implications across domains. We introduce nanoMINER, a multi-agent system combining large language models and multimodal analysis to extract essential information from scientific research articles on nanomaterials. This system processes documents end-to-end, utilizing tools such as YOLO for visual data extraction and GPT-4o for linking textual and visual information. At its core, the ReAct agent orchestrates specialized agents to ensure comprehensive data extraction. We demonstrate the efficacy of the system by automating the assembly of nanomaterial and nanozyme datasets previously manually curated by domain experts. NanoMINER achieves high precision in extracting nanomaterial properties like chemical formulas, crystal systems, and surface characteristics. For nanozymes, we obtain near-perfect precision (0.98) for kinetic parameters and essential features such as Cmin and Cmax. To benchmark the system performance, we also compare nanoMINER to several baseline LLMs, including the most recent multimodal GPT-4.1, and show consistently higher extraction precision and recall. Our approach is extensible to other domains of materials science and fields like biomedicine, advancing data-driven research methodologies and automated knowledge extraction.

Abstract Image

基于agent的纳米材料多模态信息提取
从科学文献中自动提取结构化数据是一项具有跨领域广泛影响的关键挑战。我们介绍了nanoMINER,这是一个多智能体系统,结合了大语言模型和多模态分析,从纳米材料的科研文章中提取重要信息。该系统端到端处理文档,利用YOLO等工具进行可视化数据提取,gpt - 40用于链接文本和可视化信息。ReAct代理的核心是编排专门的代理,以确保全面的数据提取。我们通过自动化组装纳米材料和纳米酶数据集来证明该系统的有效性,这些数据集以前是由领域专家手动整理的。NanoMINER在提取纳米材料的化学配方、晶体系统和表面特征等方面实现了高精度。对于纳米酶,我们获得了接近完美的精度(0.98)的动力学参数和基本特征,如Cmin和Cmax。为了对系统性能进行基准测试,我们还将nanoMINER与几种基准llm(包括最新的多模态GPT-4.1)进行了比较,并显示出更高的提取精度和召回率。我们的方法可以扩展到材料科学的其他领域,如生物医学,先进的数据驱动研究方法和自动化知识提取。
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来源期刊
npj Computational Materials
npj Computational Materials Mathematics-Modeling and Simulation
CiteScore
15.30
自引率
5.20%
发文量
229
审稿时长
6 weeks
期刊介绍: npj Computational Materials is a high-quality open access journal from Nature Research that publishes research papers applying computational approaches for the design of new materials and enhancing our understanding of existing ones. The journal also welcomes papers on new computational techniques and the refinement of current approaches that support these aims, as well as experimental papers that complement computational findings. Some key features of npj Computational Materials include a 2-year impact factor of 12.241 (2021), article downloads of 1,138,590 (2021), and a fast turnaround time of 11 days from submission to the first editorial decision. The journal is indexed in various databases and services, including Chemical Abstracts Service (ACS), Astrophysics Data System (ADS), Current Contents/Physical, Chemical and Earth Sciences, Journal Citation Reports/Science Edition, SCOPUS, EI Compendex, INSPEC, Google Scholar, SCImago, DOAJ, CNKI, and Science Citation Index Expanded (SCIE), among others.
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