从有限注释的科学文献中提取材料属性测量。

IF 5.3 2区 化学 Q1 CHEMISTRY, MEDICINAL
Jessica Kong,Gihan Panapitiya,Emily Saldanha
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引用次数: 0

摘要

从科学文本中提取材料属性数据是推进化学和材料科学数据驱动研究的关键;然而,为该任务生成命名实体识别(NER)模型的训练数据所需的大量注释工作,往往成为提取专门数据集的障碍。在这项工作中,我们将传统的、有监督的NER方法与替代的少量学习架构和基于大型语言模型(LLM)的方法进行了比较研究,这些方法减轻了对大型训练数据集进行标记的需要。我们发现,表现最好的LLM (gpt - 40)不仅在基于有限示例的直接提取相关材料属性方面表现出色,而且通过数据增强增强了监督学习。我们用误差和数据质量评估来补充我们的发现,以提供对影响属性测量提取的因素的细致理解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Extracting Material Property Measurements from Scientific Literature with Limited Annotations.
Extracting material property data from scientific text is pivotal for advancing data-driven research in chemistry and materials science; however, the extensive annotation effort required to produce training data for named entity recognition (NER) models for this task often makes it a barrier to extracting specialized data sets. In this work, we present a comparative study of the conventional, supervised NER methodology to alternative few-shot learning architectures and large language model (LLM)-based approaches that mitigate the need to label large training data sets. We find that the best-performing LLM (GPT-4o) not only excels in directly extracting relevant material properties based on limited examples but also enhances supervised learning through data augmentation. We supplement our findings with error and data quality assessments to provide a nuanced understanding of factors that impact property measurement extraction.
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来源期刊
CiteScore
9.80
自引率
10.70%
发文量
529
审稿时长
1.4 months
期刊介绍: The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery. Astute chemists, computer scientists, and information specialists look to this monthly’s insightful research studies, programming innovations, and software reviews to keep current with advances in this integral, multidisciplinary field. As a subscriber you’ll stay abreast of database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reactions databases.
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