Graph Classification on MOLBACE
0.8269ROC AUCFC-GSSL
Evaluation Results
| Method | Links | |
|---|---|---|
| FC-GSSL2026.04 | 0.8269 | |
| GraphPAE2026.04 | 0.8111 | |
| GraphMAE22026.04 | 0.8074 | |
| DIGRAFBackbone=GIN, Activation=DIGRAF2024.07 | 0.8037 | |
| GIN + GRANOLABackbone=GIN, Normalization=GRANOLA, RNF-Adaptive=true2024.04 | 0.7992 | |
| GraphMAE2026.04 | 0.7914 | |
| DIGRAF (W/O ADAP.)Backbone=GIN, Activation=DIGRAF (W/O ADAP.)2024.07 | 0.789 | |
| Sp2GCL2026.04 | 0.7876 | |
| AUG-MAE2026.04 | 0.7854 | |
| GIN + RNF-NORMBackbone=GIN, Normalization=RNF-NORM2024.04 | 0.7796 | |
| StructMAE2026.04 | 0.7775 | |
| MedianBackbone=GIN, Activation=Median2024.07 | 0.7726 | |
| SwishBackbone=GIN, Activation=Swish2024.07 | 0.7723 | |
| GIN + LayerNorm-nodeBackbone=GIN, Normalization=LayerNorm-node2024.04 | 0.7712 | |
| MaxBackbone=GIN, Activation=Max2024.07 | 0.7704 | |
| MaxoutBackbone=GIN, Activation=Maxout2024.07 | 0.7683 | |
| GIN + LayerNorm-graphBackbone=GIN, Normalization=LayerNorm-graph2024.04 | 0.7649 | |
| GIN + MeanSubtractionNormBackbone=GIN, Normalization=MeanSubtractionNorm2024.04 | 0.7636 | |
| GIN + GRANOLA-NO-RNFBackbone=GIN, Normalization=GRANOLA, RNF-Adaptive=false2024.04 | 0.7623 | |
| GIN + GraphSizeNormBackbone=GIN, Normalization=GraphSizeNorm2024.04 | 0.7618 | |
| PReLUBackbone=GIN, Activation=PReLU2024.07 | 0.7616 | |
| ELUBackbone=GIN, Activation=ELU2024.07 | 0.761 | |
| GIN + DiffGroupNormBackbone=GIN, Normalization=DiffGroupNorm2024.04 | 0.7596 | |
| GIN + NodeNormBackbone=GIN, Normalization=NodeNorm2024.04 | 0.7567 | |
| GeLUBackbone=GIN, Activation=GeLU2024.07 | 0.7559 | |
| GReLUBackbone=GIN, Activation=GReLU2024.07 | 0.7517 | |
| GIN + SuperNormBackbone=GIN, Normalization=SuperNorm2024.04 | 0.7512 | |
| GIN + PairNormBackbone=GIN, Normalization=PairNorm2024.04 | 0.7511 | |
| TanhBackbone=GIN, Activation=Tanh2024.07 | 0.7492 | |
| MVGRL2026.04 | 0.7488 | |
| GIN + InstanceNormBackbone=GIN, Normalization=InstanceNorm2024.04 | 0.7486 | |
| JOAO2026.04 | 0.7443 | |
| GIN + BatchNorm + RNF-PEBackbone=GIN, Normalization=BatchNorm, Positional Encoding=RNF-PE2024.04 | 0.7428 | |
| InfoGraph2026.04 | 0.7364 | |
| LeakyReLUBackbone=GIN, Activation=LeakyReLU2024.07 | 0.734 | |
| GraphCL2026.04 | 0.7332 | |
| GIN + GraphNormBackbone=GIN, Normalization=GraphNorm2024.04 | 0.7323 | |
| GIN + BatchNormBackbone=GIN, Normalization=BatchNorm2024.04 | 0.7297 | |
| ReLUBackbone=GIN, Activation=ReLU2024.07 | 0.7297 | |
| IdentityBackbone=GIN, Activation=Identity2024.07 | 0.7269 | |
| GIN + IdentityBackbone=GIN, Normalization=None2024.04 | 0.7255 | |
| SigmoidBackbone=GIN, Activation=Sigmoid2024.07 | 0.687 |