ResearchBenchmarksOut-of-distribution detection on QM9 Alchemy ID OOD Target epsilon_LUMOFollow67.6FPR95Faithful66.50473.90281.388.698Mar 2, 2026Evaluation ResultsMethodMethodLinksFPR95AUROCFaithful2026.0367.675.2Nat. NLL2026.0374.174β-NLL2026.0374.974.1Post hoc (Ensemble)2026.0375.672.5Naïve NLL2026.037872Homo. NLL2026.039550