Large Language Model-Driven Knowledge Graph Construction for Photoresist Materials

Abstract Vast knowledge dispersed across the unstructured literature remains an indispensable complement to photoresist development. However, the intricate relationships among formulation, processing, and performance are not only scattered throughout publications but also complicated by semantic heterogeneity and contextual ambiguity, hindering knowledge management that extends beyond simple retrieval. To address these issues, we employed large language models (LLMs) to construct a photoresist material knowledge graph (KG) covering synthesis, properties, and applications. From nearly 12,000 full-text documents, we extracted 320,000 entities, 178,000 relationships, and 1,172,000 attribute entries. By integrating this KG with an LLM via a dual-path retrieval-augmented generation (RAG) strategy, we achieved 95.33% accuracy on a domain-specific question-answering task, substantially outperforming the standalone LLM (76.67%). This work offers a reference framework for knowledge management and intelligent reasoning in the photoresist field.

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Publication Details

Journal
Journal of Chemical Information and Modeling
Published
2026-10-30
DOI
https://doi.org/10.1021/acs.jcim.6c02548
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
0.00

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article

Large Language Model-Driven Knowledge Graph Construction for Photoresist Materials

Liquan Wang, Qi ping Huang, Jiaping Lin, Lei Zhu et al.
4 links
Journal of Chemical Information and Modeling
Machine Learning in Materials Science
article

Large Language Model-Driven Knowledge Graph Construction for Photoresist Materials

Liquan Wang, Qi ping Huang, Jiaping Lin, Lei Zhu, Bole Sui, Junjie Tan
article en

Abstract

Abstract Vast knowledge dispersed across the unstructured literature remains an indispensable complement to photoresist development. However, the intricate relationships among formulation, processing, and performance are not only scattered throughout publications but also complicated by semantic heterogeneity and contextual ambiguity, hindering knowledge management that extends beyond simple retrieval. To address these issues, we employed large language models (LLMs) to construct a photoresist material knowledge graph (KG) covering synthesis, properties, and applications. From nearly 12,000 full-text documents, we extracted 320,000 entities, 178,000 relationships, and 1,172,000 attribute entries. By integrating this KG with an LLM via a dual-path retrieval-augmented generation (RAG) strategy, we achieved 95.33% accuracy on a domain-specific question-answering task, substantially outperforming the standalone LLM (76.67%). This work offers a reference framework for knowledge management and intelligent reasoning in the photoresist field.

Journal of Chemical Information and Modeling
East China University of Science and Technology (CN), Chinese Academy of Sciences (CN), Shanghai Institute of Microsystem and Information Technology (CN)
National Natural Science Foundation of China, Shanghai Municipal Commission of Economy and Informatization, Fundamental Research Funds for the Central Universities
Openalex Percentile: Top 29%
Machine Learning in Materials Science
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