2 papers
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…
cs.LG2025
Accelerating scientific discovery with the common task framework
J. Nathan Kutz, Peter Battaglia, Michael Brenner +12
Machine learning (ML) and artificial intelligence (AI) algorithms are transforming and empowering the characterization and control of dynamic systems in the engineering, physical,…