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arXiv 2404.03080cs.CLcs.AI
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基于大语言模型的材料知识图谱在多学科材料科学中的构建与应用

Construction and Application of Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model

School of Computer Science and Engineering, University of New South Wales(新南威尔士大学计算机科学与工程学院);GreenDynamics(绿动力);Department of Materials Science and Engineering, City University of Hong Kong(香港城市大学材料科学与工程系);Department of Linguistics and Translation, City University of Hong Kong(香港城市大学语言学与翻译系);School of Photovoltaic and Renewable Energy Engineering, University of New South Wales(新南威尔士大学光伏与可再生能源工程学院);College of Design & Innovation, Tongji University(同济大学设计与创新学院)

Yanpeng Ye, Jie Ren, Shaozhou Wang, Yuwei Wan, Imran Razzak, Bram Hoex, Haofen Wang, Tong Xie, Wenjie Zhang

AI总结:

本文提出融合大语言模型与自然语言处理技术的材料知识图谱MKG,将十年文献组织为含162,605个节点和731,772条边的三元组,以支持链接预测并减少实验依赖。

摘要:

材料科学知识广泛分散在大量科学文献中,给新材料的高效发现和整合带来了重大挑战。传统方法往往依赖成本高昂且耗时的实验手段,进一步增加了快速创新的复杂性。为应对这些挑战,人工智能与材料科学的融合为加速发现过程开辟了途径,但这也要求精确的标注、数据抽取以及信息可追溯性。为解决这些问题,本文提出了材料知识图谱(Materials Knowledge Graph,MKG),该图谱利用与大语言模型相结合的先进自然语言处理技术,从十年的高质量研究中抽取信息并将其系统地组织为结构化三元组,包含162,605个节点和731,772条边。MKG围绕精心设计的本体,将信息划分为名称、化学式和应用等全面标签,从而提升数据的可用性和整合程度。通过实施基于网络的算法,MKG不仅促进了高效的链接预测,还显著降低了对传统实验方法的依赖。这种结构化方法不仅简化了材料研究,也为构建更复杂的科学知识图谱奠定了基础。

英文摘要:

Knowledge in materials science is widely dispersed across extensive scientific literature, posing significant challenges to the efficient discovery and integration of new materials. Traditional methods, often reliant on costly and time-consuming experimental approaches, further complicate rapid innovation. Addressing these challenges, the integration of artificial intelligence with materials science has opened avenues for accelerating the discovery process, though it also demands precise annotation, data extraction, and traceability of information. To tackle these issues, this article introduces the Materials Knowledge Graph (MKG), which utilizes advanced natural language processing techniques integrated with large language models to extract and systematically organize a decade's worth of high-quality research into structured triples, contains 162,605 nodes and 731,772 edges. MKG categorizes information into comprehensive labels such as Name, Formula, and Application, structured around a meticulously designed ontology, thus enhancing data usability and integration. By implementing network-based algorithms, MKG not only facilitates efficient link prediction but also significantly reduces reliance on traditional experimental methods. This structured approach not only streamlines materials research but also lays the groundwork for more sophisticated science knowledge graphs.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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