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Paper · arXiv

Grounded verification of chemical and materials reasoning: detection is the bottleneck

Language models are moving into chemistry and materials discovery workflows, where a wrong molecular formula, space group, or formation energy can silently propagate into downstream decisions. These confabulations hide inside fluent reasoning traces and concentrate on rare, long-tail entities, where model confidence is least trustworthy. Retrieving reference data for every prompt would catch them, but at a heavy coverage and abstention cost. We show that deterministic, database-grounded verification catches and repairs these errors selectively, and that the binding constraint is detection rather than repair. Our tiered verifier extracts each checkable claim, tests it against authoritative...

AuthorsCan Polat, Mustafa Kurban, Erchin Serpedin et al.
Primary categorycs.LG
Published19 July 2026
Last updated at source20 August 2026
cs.LGphysics.chem-phphysics.comp-phquant-ph
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