揭示语言模型在化学研究问题回答中的力量。

IF 5.9 2区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Xiuying Chen, Tairan Wang, Taicheng Guo, Kehan Guo, Juexiao Zhou, Haoyang Li, Zirui Song, Xin Gao, Xiangliang Zhang
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引用次数: 0

摘要

虽然语言模型的能力在一般领域和生物医学等领域得到了彻底的评估,但学术化学的探索仍然很少。化学QA工具通过有效地将复杂的化学信息转换为可理解的格式,在教育和研究中也发挥着至关重要的作用。为了解决这一问题,我们引入了ScholarChemQA,这是一个由化学论文构建的大规模QA数据集。具体来说,题目取自带问号的论文题目,选择题的答案是根据相应的摘要推理出来的。该数据集反映了典型的现实挑战,包括不平衡的数据分布和大量可能有用的未标记数据。相应地,我们引入了ChemMatch模型,专门设计用于通过充分利用我们收集的数据来有效回答化学问题。实验表明,大型语言模型(LLMs)在化学领域仍有很大的改进空间。此外,ChemMatch的表现明显优于最近的类似规模基线:https://github.com/iriscxy/chemmatch。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Unveiling the power of language models in chemical research question answering.

While the abilities of language models are thoroughly evaluated in areas like general domains and biomedicine, academic chemistry remains less explored. Chemical QA tools also play a crucial role in both education and research by effectively translating complex chemical information into an understandable format. Addressing this gap, we introduce ScholarChemQA, a large-scale QA dataset constructed from chemical papers. Specifically, the questions are from paper titles with a question mark, and the multi-choice answers are reasoned out based on the corresponding abstracts. This dataset reflects typical real-world challenges, including an imbalanced data distribution and a substantial amount of unlabeled data that can be potentially useful. Correspondingly, we introduce a ChemMatch model, specifically designed to effectively answer chemical questions by fully leveraging our collected data. Experiments show that Large Language Models (LLMs) still have significant room for improvement in the field of chemistry. Moreover, ChemMatch significantly outperforms recent similar-scale baselines: https://github.com/iriscxy/chemmatch .

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来源期刊
Communications Chemistry
Communications Chemistry Chemistry-General Chemistry
CiteScore
7.70
自引率
1.70%
发文量
146
审稿时长
13 weeks
期刊介绍: Communications Chemistry is an open access journal from Nature Research publishing high-quality research, reviews and commentary in all areas of the chemical sciences. Research papers published by the journal represent significant advances bringing new chemical insight to a specialized area of research. We also aim to provide a community forum for issues of importance to all chemists, regardless of sub-discipline.
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