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

arXiv:2510.14217 · cs.LG, physics.chem-ph · Submitted 2025-10-16 · Read on arXiv

cs.LG, physics.chem-ph

Submitted: 2025-10-16

Updated: 2026-10-02

Terminology

• Generalization — 4× in this paper · explained in 13 episodes
• Transformer — 3× in this paper · explained in 2 episodes
• Benchmark — 1× in this paper · explained in 2 episodes
• Embeddings — 1× in this paper · explained in 2 episodes
• Kernel Ridge Regression — 1× in this paper · explained in 2 episodes
• Self-Supervised Learning — 1× in this paper · explained in 8 episodes
• Self-Supervised Learning (SSL) — 1× in this paper · explained in 4 episodes

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