arxivq-bio.QMcs.LG2026-06-30
Refnd: Preventing Data Leakage in Relational Datasets
Anthony Lavertu, Jacob Cote, Jacques Corbeil, Sophie Gobeil, Pascal Germain
Machine learning models trained on biochemical data are routinely evaluated using splits that fail to account for relational structure, causing information leakage and over-optimistic performance estimates. Existing splitting methods lack theoretical grounding and scale at best q…