BACE
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Graph property prediction | BACE | ROC AUC98.4 | 116 | |
| Molecular property prediction | BACE | ROC-AUC92.5 | 107 | |
| Molecular property prediction | BACE (test) | ROC-AUC89.4 | 93 | |
| Molecular property classification | BACE (MoleculeNet) scaffold (test) | ROC-AUC0.894 | 44 | |
| Molecular property prediction | BACE 50-shot (test) | ROC-AUC0.6756 | 40 | |
| Graph-level molecular classification | BACE | Accuracy85.8 | 34 | |
| Subgraph Importance Estimation | bace (test) | Fidelity F124.7 | 32 | |
| Molecular prediction | BACE full-shot (test) | ROC-AUC85.27 | 25 | |
| Graph-level molecular classification | BACE | MCC0.721 | 18 | |
| Molecular prediction | BACE 100-shot (test) | ROC-AUC0.6176 | 15 | |
| Graph Classification | BACE Target set | F1 Score66.1 | 14 | |
| Graph Classification | BACE 5-shot | F1 Score51 | 12 | |
| Graph Classification | BACE semi-supervised (test) | F1 Score62.42 | 12 | |
| Graph Classification | BACE | Macro F154.18 | 12 | |
| Multi-label Binary Classification | Bace MoleculeNet (test) | AUC87.4 | 10 | |
| Graph Model Stealing | BACE | AUC87.08 | 9 | |
| Pruning | BACE (test) | AU-MSE1.61 | 8 | |
| Activation Task | BACE | AUAC70.7 | 8 | |
| Graph Classification | BACE (unseen) | AUC54.9 | 6 | |
| GNN Explanation | BACE | H-Fidelity0.5934 | 6 | |
| Molecular Property Classification | BACE (dev) | Δ ID Churn0.3 | 5 | |
| Distributional disagreement (sym-KL) | BACE (dev) | Delta sym-KL-0.74 | 5 | |
| Molecular Property Prediction | BACE | pIC500.571 | 5 | |
| Graph Classification | BACE | F1 Score10.4 | 4 | |
| Regression | BACE | R^20.84 | 4 |
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