Critical Mass: Structure-Disjoint Splits Drift With the Libraries They Are Built On
arXiv:2610.12694v1 Announce Type: new Abstract: Molecular machine learning evaluates out-of-distribution performance with structure disjoint splits, a construction rule fixed once at the scale its library happened to have: threshold a pairwise distance, then assign whole connected components to fol…
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- 2026-10-12 04:00 · arXiv cs.LG
Critical Mass: Structure-Disjoint Splits Drift With the Libraries They Are Built On