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20232026
most citedConformal Autoregressive Generation: Beam Search with Coverage Guarantees

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cs.LG2026

NMR Elucidation as an Agentic Search Problem, Not a Modeling Problem

Irina Espejo Morales, Damon Hinz, Marvin Alberts +3

Structural elucidation from Nuclear Magnetic Resonance (NMR) data remains a fundamental bottleneck across chemistry, materials science, and biology. We demonstrate that an agentic…