cond-mat.mtrl-sci, cs.AI, cs.LG, stat.ML

The Infinite-Dimensional Nature of Spectroscopy and Why Models Succeed, Fail, and Mislead

arXiv:2604.04717v1 Announce Type: cross
Abstract: Machine learning (ML) models have achieved strikingly high accuracies in spectroscopic classification tasks, often without a clear proof that those models used chemically meaningful features. Existing …