English

LeMat-Synth: a multi-modal toolbox to curate broad synthesis procedure databases from scientific literature

Digital Libraries 2025-11-03 v1 Artificial Intelligence Information Retrieval

Abstract

The development of synthesis procedures remains a fundamental challenge in materials discovery, with procedural knowledge scattered across decades of scientific literature in unstructured formats that are challenging for systematic analysis. In this paper, we propose a multi-modal toolbox that employs large language models (LLMs) and vision language models (VLMs) to automatically extract and organize synthesis procedures and performance data from materials science publications, covering text and figures. We curated 81k open-access papers, yielding LeMat-Synth (v 1.0): a dataset containing synthesis procedures spanning 35 synthesis methods and 16 material classes, structured according to an ontology specific to materials science. The extraction quality is rigorously evaluated on a subset of 2.5k synthesis procedures through a combination of expert annotations and a scalable LLM-as-a-judge framework. Beyond the dataset, we release a modular, open-source software library designed to support community-driven extension to new corpora and synthesis domains. Altogether, this work provides an extensible infrastructure to transform unstructured literature into machine-readable information. This lays the groundwork for predictive modeling of synthesis procedures as well as modeling synthesis--structure--property relationships.

Keywords

Cite

@article{arxiv.2510.26824,
  title  = {LeMat-Synth: a multi-modal toolbox to curate broad synthesis procedure databases from scientific literature},
  author = {Magdalena Lederbauer and Siddharth Betala and Xiyao Li and Ayush Jain and Amine Sehaba and Georgia Channing and Grégoire Germain and Anamaria Leonescu and Faris Flaifil and Alfonso Amayuelas and Alexandre Nozadze and Stefan P. Schmid and Mohd Zaki and Sudheesh Kumar Ethirajan and Elton Pan and Mathilde Franckel and Alexandre Duval and N. M. Anoop Krishnan and Samuel P. Gleason},
  journal= {arXiv preprint arXiv:2510.26824},
  year   = {2025}
}

Comments

29 pages, 13 figures, 6 tables