ResearchBenchmarksOut-of-distribution detection on QM9 Alchemy ID OOD Target HFollow35.3FPR@95Naïve NLL32.91249.03165.1581.269Mar 2, 2026Evaluation ResultsMethodMethodLinksFPR@95AUROCNaïve NLL2026.0335.392.5β-NLL2026.0340.390.7Nat. NLL2026.0359.473.8Faithful2026.0378.470.2Post hoc (Ensemble)2026.0380.572.3Homo. NLL2026.039550