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arXiv 2407.21708cs.AI
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CEAR:从科学文献自动构建化学实体与角色知识图谱

CEAR: Automatic construction of a knowledge graph of chemical entities and roles from scientific literature

Otto-von-Guericke University Magdeburg(马格德堡奥托·冯·格里克大学)

Stefan Langer, Fabian Neuhaus, Andreas Nürnberger

AI总结:

本文提出CEAR方法,通过结合ChEBI本体知识微调大语言模型,从科学文献中识别化学实体及其角色,并在8,000篇ChemRxiv文章上构建知识图谱,以补充和扩展ChEBI。

摘要:

本体是特定领域中知识的形式化表示,为组织和理解复杂信息提供了结构化框架。然而,构建本体是一项复杂且耗时的工作。ChEBI是化学领域一个众所周知的本体,为定义化学实体及其性质提供了全面的资源。但它只覆盖了化学领域快速增长知识中的一小部分,并且不提供对科学文献的引用。为了解决这一问题,我们提出了一种方法,包括利用ChEBI的知识扩充现有的标注文本语料库,并对一个大语言模型(LLM)进行微调,以识别科学文本中的化学实体及其角色。我们的实验证明了该方法的有效性。通过结合本体知识和LLM的语言理解能力,我们在识别科学文献中的化学实体和角色方面取得了较高的精确率和召回率。此外,我们从8,000篇ChemRxiv文章中提取这些信息,并应用第二个LLM构建化学实体与角色知识图谱(CEAR),该图谱为ChEBI提供补充信息,并有助于扩展ChEBI。

英文摘要:

Ontologies are formal representations of knowledge in specific domains that provide a structured framework for organizing and understanding complex information. Creating ontologies, however, is a complex and time-consuming endeavor. ChEBI is a well-known ontology in the field of chemistry, which provides a comprehensive resource for defining chemical entities and their properties. However, it covers only a small fraction of the rapidly growing knowledge in chemistry and does not provide references to the scientific literature. To address this, we propose a methodology that involves augmenting existing annotated text corpora with knowledge from Chebi and fine-tuning a large language model (LLM) to recognize chemical entities and their roles in scientific text. Our experiments demonstrate the effectiveness of our approach. By combining ontological knowledge and the language understanding capabilities of LLMs, we achieve high precision and recall rates in identifying both the chemical entities and roles in scientific literature. Furthermore, we extract them from a set of 8,000 ChemRxiv articles, and apply a second LLM to create a knowledge graph (KG) of chemical entities and roles (CEAR), which provides complementary information to ChEBI, and can help to extend it.

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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