Abstract:Scientific progress increasingly depends on synthesizing knowledge across vast literature, yet most experimental data remains trapped in semi-structured formats that resist systematic extraction and analysis. Here, we present MatSKRAFT, a computational framework that automatically extracts and integrates materials science knowledge from tabular data at unprecedented scale. Our approach transforms tables into graph-based representations processed by constraint-driven GNNs that encode scientific principles directly into model architecture. MatSKRAFT significantly outperforms contemporary frontier large language models, achieving F1 scores of 89.33 for property extraction and 71.35 for composition extraction, while processing data 6-496 times faster compared to the fastest and the slowest models respectively, with modest hardware requirements. Applied to 66,267 tables from more than 45,500 research publications, we construct a comprehensive database containing 509,281 entries, including 104,000 compositions that expand coverage beyond major existing databases. This systematic approach reveals previously overlooked materials with distinct property combinations and enables data-driven discovery of composition-property relationships forming the cornerstone of materials and scientific discovery.
From: N M Anoop Krishnan [view email]
[v1]
Fri, 12 Sep 2025 17:55:11 UTC (3,055 KB)
[v2]
Sun, 5 Jul 2026 21:14:22 UTC (4,025 KB)
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