From Text to Insight: Large Language Models for Materials Science Data Extraction
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Abstract (arXiv)
The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial automation for data extraction for specific use cases. The advent of large language models (LLMs) represents a significant shift, potentially enabling efficient extraction of structured, actionable data from unstructured text by non-experts. While applying LLMs to materials science data extraction presents unique challenges, domain knowledge offers opportunities to guide and validate LLM outputs. This review provides a comprehensive overview of LLM-based structured data extraction in materials science, synthesizing current knowledge and outlining future directions. We address the lack of standardized guidelines and present frameworks for leveraging the synergy between LLMs and materials science expertise. This work serves as a foundational resource for researchers aiming to harness LLMs for data-driven materials research. The insights presented here could significantly enhance how researchers across disciplines access and utilize scientific information, potentially accelerating the development of novel materials for critical societal needs.
Key facts. Cited by 15 papers in the map (data through 7 Oct 2026). First posted on arXiv 23 Jul 2024.
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Citing papers per year: 2024: 5; 2025: 7; 2026: 3.
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- 2024SciAgents: Automating scientific discovery through multi-agent intelligent graph reasoningcited by 90
- 2024Probing the limitations of multimodal language models for chemistry and materials researchcited by 31
- 2024MatExpert: Decomposing Materials Discovery by Mimicking Human Expertscited by 18
- 2024Foundational Large Language Models for Materials Researchcited by 18
- 2026GraphAgents: Knowledge Graph-Guided Agentic AI for Cross-Domain Materials Designcited by 9
- 2025Leveraging Vision Capabilities of Multimodal LLMs for Automated Data Extraction from Plotscited by 7
- 2025MOLE: Metadata Extraction and Validation in Scientific Papers Using LLMscited by 4
- 2025Insight-RAG: Enhancing LLMs with Insight-Driven Augmentationcited by 2
- 2025The Impact of Modern AI in Metadata Managementcited by 1
- 2025Evaluating Structured Output Robustness of Small Language Models for Open Attribute-Value Extraction from Clinical Notescited by 1
- 2026A System for Name and Address Parsing with Large Language Modelscited by 1
- 2024Semantic Enrichment of the Quantum Cascade Laser Properties in Text- A Knowledge Graph Generation Approachcited by 0
3 more
- 2025Towards Large Language Models for Lunar Mission Planning and In Situ Resource Utilizationcited by 0
- 2025ECG-LLM -- training and evaluation of domain-specific large language models for electrocardiographycited by 0
- 2026Large language model-enabled automated data extraction for concrete materials informaticscited by 0
- 2026Large language model-enabled automated data extraction for concrete materials informatics24 Apr 2026
- 2026GraphAgents: Knowledge Graph-Guided Agentic AI for Cross-Domain Materials Design7 Feb 2026
- 2026A System for Name and Address Parsing with Large Language Models25 Jan 2026
- 2025ECG-LLM -- training and evaluation of domain-specific large language models for electrocardiography21 Oct 2025
- 2025Evaluating Structured Output Robustness of Small Language Models for Open Attribute-Value Extraction from Clinical Notes2 Jul 2025
- 2025MOLE: Metadata Extraction and Validation in Scientific Papers Using LLMs26 May 2025
- 2025Towards Large Language Models for Lunar Mission Planning and In Situ Resource Utilization28 Apr 2025
- 2025Insight-RAG: Enhancing LLMs with Insight-Driven Augmentation31 Mar 2025
- 2025Leveraging Vision Capabilities of Multimodal LLMs for Automated Data Extraction from Plots16 Mar 2025
- 2025The Impact of Modern AI in Metadata Management28 Jan 2025
- 2024Foundational Large Language Models for Materials Research12 Dec 2024
- 2024Probing the limitations of multimodal language models for chemistry and materials research25 Nov 2024
3 more
- 2024Semantic Enrichment of the Quantum Cascade Laser Properties in Text- A Knowledge Graph Generation Approach30 Oct 2024
- 2024MatExpert: Decomposing Materials Discovery by Mimicking Human Experts26 Oct 2024
- 2024SciAgents: Automating scientific discovery through multi-agent intelligent graph reasoning9 Sep 2024
- 2024MatExpert: Decomposing Materials Discovery by Mimicking Human Expertscited by 18
- 2024Foundational Large Language Models for Materials Researchcited by 18
- 2025MOLE: Metadata Extraction and Validation in Scientific Papers Using LLMscited by 4
- 2025The Impact of Modern AI in Metadata Managementcited by 1
- 2025Evaluating Structured Output Robustness of Small Language Models for Open Attribute-Value Extraction from Clinical Notescited by 1
- 2026A System for Name and Address Parsing with Large Language Modelscited by 1
- 2024Semantic Enrichment of the Quantum Cascade Laser Properties in Text- A Knowledge Graph Generation Approachcited by 0
- 2025Towards Large Language Models for Lunar Mission Planning and In Situ Resource Utilizationcited by 0
- 2026Large language model-enabled automated data extraction for concrete materials informaticscited by 0
- 2026Large language model-enabled automated data extraction for concrete materials informatics24 Apr 2026
- 2026A System for Name and Address Parsing with Large Language Models25 Jan 2026
- 2025Evaluating Structured Output Robustness of Small Language Models for Open Attribute-Value Extraction from Clinical Notes2 Jul 2025
- 2025MOLE: Metadata Extraction and Validation in Scientific Papers Using LLMs26 May 2025
- 2025Towards Large Language Models for Lunar Mission Planning and In Situ Resource Utilization28 Apr 2025
- 2025The Impact of Modern AI in Metadata Management28 Jan 2025
- 2024Foundational Large Language Models for Materials Research12 Dec 2024
- 2024Semantic Enrichment of the Quantum Cascade Laser Properties in Text- A Knowledge Graph Generation Approach30 Oct 2024
- 2024MatExpert: Decomposing Materials Discovery by Mimicking Human Experts26 Oct 2024