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From Text to Insight: Large Language Models for Materials Science Data Extraction

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arxiv 2407.16867 v2 pith:PREKHBMG submitted 2024-07-23 cond-mat.mtrl-sci cs.LG

classification cond-mat.mtrl-scics.LG
keywords materialsdataextractionsciencellmsknowledgelanguagestructured
verification ladder T0 review T1 audit T2 compute T3 formal

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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.

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Forward citations

Cited by 6 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. OpenAlex reports about 7 citations worldwide. Full citation record

  1. MatSKRAFT: A framework for large-scale materials knowledge extraction from scientific tables

    cs.IR 2025-09 conditional novelty 6.0 of 10

    MatSKRAFT, a graph-neural-network pipeline, extracts material properties and compositions from scientific tables with higher F1 than LLMs and builds a 535k-entry knowledge base from 47k papers.

  2. Foundational Large Language Models for Materials Research

    cond-mat.mtrl-sci 2024-12 conditional novelty 5.0 of 10

    Domain-adapted LLaMA models (LLaMat) outperform commercial LLMs on materials NLP and structured extraction tasks and generate M3GNet-predicted stable crystals, with LLaMA-2-based variants beating LLaMA-3-based ones.

  3. Evaluating Structured Output Robustness of Small Language Models for Open Attribute-Value Extraction from Clinical Notes

    cs.CL 2025-07 conditional novelty 4.0 of 10

    JSON is the most robust serialization format for small-language-model structured output extraction from clinical notes, with targeted prompting and larger models improving parseability.

  4. Towards Large Language Models for Lunar Mission Planning and In Situ Resource Utilization

    cs.DL 2025-04 conditional novelty 4.0 of 10

    ChatGPT-4o, when given lunar sample report text, extracts oxide and element weight ranges whose midpoints mostly agree with manual ground truth within 5% relative error, and it outperforms the same model queried witho...

  5. From Text to Discovery: How Large Language Models Are Reshaping Research Across Scientific and Humanistic Disciplines

    cs.DL 2026-06 unverdicted novelty 3.0 of 10

    LLMs accelerate research workflows from idea generation to writing but introduce challenges like hallucination, bias, opacity, and ten systemic risks requiring new governance frameworks.

  6. Language Models for Materials Discovery and Sustainability: Progress, Challenges, and Opportunities

    cond-mat.mtrl-sci 2025-04 unverdicted novelty 2.0 of 10

    A broad review and perspective on LLM applications in materials science, with proposals for automated discovery and sustainability screening.

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