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Benchmarks
Out-of-distribution detection on QM9 Alchemy ID OOD epsilon_HOMO
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57.3
FPR95
Post hoc (Ensemble)
55.624
66.937
78.25
89.563
Mar 2, 2026
FPR95
AUROC
Updated 1mo ago
Evaluation Results
Method
Method
Links
FPR95
AUROC
Post hoc (Ensemble)
2026.03
57.3
86.7
β-NLL
2026.03
86.5
70.8
Nat. NLL
2026.03
86.8
68.6
Naïve NLL
2026.03
88.2
68
Homo. NLL
2026.03
95
50
Faithful
2026.03
99.2
39.9
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