mlsanityData to 14 Oct 2026

Harnessing X-ray Absorption Spectroscopy Data through Multimodal Mining of Battery Literature

arXiv 2607.23886 ↗First posted 26 Jul 2026cond-mat.mtrl-sci cs.AI cs.CLcited by 0

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Abstract (arXiv)

X-ray absorption spectroscopy (XAS) is central to understanding the local electronic and atomic structure of materials, yet most published spectra remain inaccessible to data-driven analysis because they are embedded in figures and described through fragmented textual context in the literature. Here, we use multimodal (image and text) literature mining to transform this dispersed knowledge into an AI-ready experimental data resource. We developed a scalable spectroscopy data digitization pipeline that identifies XAS figures in full-text articles, digitizes spectral curves, and links each spectrum to accompanying metadata on the measured edge and material. Applying this pipeline to the battery literature produced an open dataset of 13,740 XAS spectra, spanning 66 absorbing elements and diverse battery chemistries, with expert validation confirming accurate extraction of spectral and metadata information. By converting literature-embedded spectra into structured numerical data, this dataset provides a foundation for large-scale XAS analysis, cross-laboratory comparison, high-throughput characterization, and autonomous discovery of advanced materials.

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References · 10

  1. 2025PaddleOCR 3.0 Technical Reportcited by 143
  2. 2018Extracting Scientific Figures with Distantly Supervised Neural Networkscited by 36
  3. 2025CASCADE: Cumulative Agentic Skill Creation through Autonomous Development and Evolutioncited by 34
  4. 2023RxnScribe: A Sequence Generation Model for Reaction Diagram Parsingcited by 17
  5. 2023Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literaturecited by 13
  6. 2021A Two-stage Framework for Compound Figure Separationcited by 8
  7. 2026Agentic LLM Reasoning in a Self-Driving Laboratory for Air-Sensitive Lithium Halide Spinel Conductorscited by 6
  8. 2021Plot2Spectra: an Automatic Spectra Extraction Toolcited by 5
  9. 2025"DIVE" into Hydrogen Storage Materials Discovery with AI Agentscited by 3
  10. 2025XASDB -- Design and Implementation of an Open-Access Spectral Databasecited by 1

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