arXiv Machine Learning June 16, 2026 By Asma Jamali, Tin Sum Cheng, Rodrigo A. Vargas-Hern\'andez

Spectral Analysis of Molecular Features: When Richer Features Do Not Guarantee Better Generalization

Read the original on arXiv Machine Learning →

arXiv:2510. 14217v2 Announce Type: replace Abstract: The spectral properties of feature embeddings offer critical insights into model generalization and representation quality.

Summary generated by The Flow from the publisher's feed. The full article lives at arXiv Machine Learning.

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Physics-Based Molecular Fingerprints from Spectral Graph Theory Provide Efficient Geometry-Aware Measures of Chemical Similarity

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