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.
Authors
- Liquan Wang (ORCID: https://orcid.org/0000-0002-5141-8584)
- Qi ping Huang (ORCID: https://orcid.org/0000-0002-8637-0269)
- Jiaping Lin (ORCID: https://orcid.org/0000-0001-9633-4483)
- Lei Zhu (ORCID: https://orcid.org/0000-0002-7870-8469)
- Bole Sui
- Junjie Tan
Institutions
- East China University of Science and Technology (CN)
- Chinese Academy of Sciences (CN)
- Shanghai Institute of Microsystem and Information Technology (CN)
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
Funders
- National Natural Science Foundation of China
- Shanghai Municipal Commission of Economy and Informatization
- Fundamental Research Funds for the Central Universities