!
You're viewing papers too quickly. Please wait a moment.<br>This helps keep the archive available for everyone.

Quick Navigation

Topics

Quantum Chemistry

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

arXiv
Authors: Can Polat, Mustafa Kurban, Erchin Serpedin, Hasan Kurban

Year

2026

Paper ID

73431

Status

Preprint

Abstract Read

~2 min

Abstract Words

144

Citations

N/A

Abstract

Large language models confabulate chemical objects (molecular formulas, space groups, formation energies) in fluent reasoning traces, concentrated on long-tail entities where confidence is least trustworthy. Deterministic, database-grounded verification can catch and repair such errors without the coverage cost of blanket retrieval; the binding constraint, we find, is detection, not repair. Our tiered verifier extracts each checkable claim, checks it against authoritative databases and physics, and feeds the reference into a gated correction loop. Across four models and 528 condition-pinned prompts, gated correction cuts committed-formula error from 22% to 4% at 3.2times fewer retrievals than blanket augmentation, beating a conversational oracle. Repair succeeds wherever a flag fires (80--97%); the bottleneck is in-loop detection recall. Grounding improves the final answer only when the verifier's scope reaches the deliverable (83% to 90%), and the lift appears only where extractable long-tail error exists: absent on near-ceiling physical constants, large on isotope half-lives (11% to 0%).

Why This Paper Matters

  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
  • It adds a 2026 reference point for readers tracking recent quantum research.
  • Large language models confabulate chemical objects (molecular formulas, space groups, formation energies) in fluent reasoning traces, concentrated on long-tail entities where...

Paper Tools

Become a member to use research tools

Sign in to open papers, visit source links, share, cite, compare, copy DOI links, request category corrections, and build your reading list.

Show Paper arXiv Publisher Share Cite This Paper Copy URL Compare Copy DOI Add to Reading List Category Correction Request

References & Citation Signals

Local Citation Graph (Related-Paper Links)

Current Paper #73431 #78837 TLS loss in superconducting res... #78797 Local polarization control of o... #78792 Demonstration of subspace-searc...

External citation index: OpenAlex citation signal

Community Reactions

Quick sentiment from readers on this paper.

Score: 0
Likes: 0 Dislikes: 0

Sign in to react to this paper.

Discussion & Reviews (Moderated)

Average Rating: 0.0 / 5 (0 ratings)

No written reviews yet.