Graph Classification on MOLTOX21
0.7719ROC-AUCGIN + GRANOLA
Evaluation Results
| Method | Links | |
|---|---|---|
| GIN + GRANOLABackbone=GIN, Normalization=GRANOLA, RNF-Adaptive=true2024.04 | 0.7719 | |
| DIGRAFBackbone=GIN, Activation=DIGRAF2024.07 | 0.7703 | |
| SAGMM2025.11 | 0.7658 | |
| DIGRAF (W/O ADAP.)Backbone=GIN, Activation=DIGRAF (W/O ADAP.)2024.07 | 0.7637 | |
| GIN + GRANOLA-NO-RNFBackbone=GIN, Normalization=GRANOLA, RNF-Adaptive=false2024.04 | 0.7587 | |
| GraphSAGE2025.11 | 0.7564 | |
| DA-MoE2025.11 | 0.7559 | |
| MaxBackbone=GIN, Activation=Max2024.07 | 0.755 | |
| GMoE-GCN2025.11 | 0.7545 | |
| GReLUBackbone=GIN, Activation=GReLU2024.07 | 0.7533 | |
| GCN2025.11 | 0.7529 | |
| GIN + BatchNorm + RNF-PEBackbone=GIN, Normalization=BatchNorm, Positional Encoding=RNF-PE2024.04 | 0.7514 | |
| MaxoutBackbone=GIN, Activation=Maxout2024.07 | 0.7514 | |
| GIN + RNF-NORMBackbone=GIN, Normalization=RNF-NORM2024.04 | 0.7512 | |
| GIN + SuperNormBackbone=GIN, Normalization=SuperNorm2024.04 | 0.7508 | |
| ELUBackbone=GIN, Activation=ELU2024.07 | 0.7508 | |
| GIN + LayerNorm-graphBackbone=GIN, Normalization=LayerNorm-graph2024.04 | 0.7503 | |
| GIN + MeanSubtractionNormBackbone=GIN, Normalization=MeanSubtractionNorm2024.04 | 0.7498 | |
| TanhBackbone=GIN, Activation=Tanh2024.07 | 0.7493 | |
| GIN + BatchNormBackbone=GIN, Normalization=BatchNorm2024.04 | 0.7491 | |
| ReLUBackbone=GIN, Activation=ReLU2024.07 | 0.7491 | |
| GIN + LayerNorm-nodeBackbone=GIN, Normalization=LayerNorm-node2024.04 | 0.7481 | |
| LeakyReLUBackbone=GIN, Activation=LeakyReLU2024.07 | 0.746 | |
| IdentityBackbone=GIN, Activation=Identity2024.07 | 0.7451 | |
| PReLUBackbone=GIN, Activation=PReLU2024.07 | 0.7451 | |
| GIN + DiffGroupNormBackbone=GIN, Normalization=DiffGroupNorm2024.04 | 0.7448 | |
| MedianBackbone=GIN, Activation=Median2024.07 | 0.7439 | |
| GAT2025.11 | 0.7436 | |
| GIN2025.11 | 0.743 | |
| GeLUBackbone=GIN, Activation=GeLU2024.07 | 0.7429 | |
| GIN + GraphSizeNormBackbone=GIN, Normalization=GraphSizeNorm2024.04 | 0.7407 | |
| GIN + InstanceNormBackbone=GIN, Normalization=InstanceNorm2024.04 | 0.7382 | |
| GIN + GraphNormBackbone=GIN, Normalization=GraphNorm2024.04 | 0.7354 | |
| GIN + IdentityBackbone=GIN, Normalization=None2024.04 | 0.7334 | |
| SwishBackbone=GIN, Activation=Swish2024.07 | 0.7331 | |
| GIN + PairNormBackbone=GIN, Normalization=PairNorm2024.04 | 0.7327 | |
| GIN + NodeNormBackbone=GIN, Normalization=NodeNorm2024.04 | 0.7327 | |
| ALL-IN-SPECIALIZEDTraining Scope=Trained per dataset, Node Properties=Standard2026.05 | 0.7004 | |
| ALL-IN-SPECIALIZEDTraining Scope=Trained per dataset, Node Properties=0 props2026.05 | 0.6937 | |
| SigmoidBackbone=GIN, Activation=Sigmoid2024.07 | 0.6915 | |
| ALL-INTraining Scope=Trained on all datasets, Node Properties=Standard2026.05 | 0.682 | |
| ALL-INTraining Scope=Trained on all datasets, Node Properties=0 props2026.05 | 0.6819 |