Graph Classification on Tox21 MoleculeNet (random train val test)
0.799ROC-AUCRP-Duvenaud
Evaluation Results
| Method | Links | |
|---|---|---|
| RP-DuvenaudRelational Pooling=true, Base Model (f)=Duvenaud et al. GNN2019.03 | 0.799 | |
| Duvenaud et al.Relational Pooling=false, Base Model (f)=Duvenaud et al. GNN2019.03 | 0.794 | |
| GatedGCNPE=MAP, k=3, #Param=1505K2023.10 | 0.784 | |
| k-ary RP (k=40)Relational Pooling=true, k (subgraph size)=40, Base Model (f)=Duvenaud et al. GNN2019.03 | 0.783 | |
| k-ary RP (k=50)Relational Pooling=true, k (subgraph size)=50, Base Model (f)=Duvenaud et al. GNN2019.03 | 0.778 | |
| k-ary RP (k=30)Relational Pooling=true, k (subgraph size)=30, Base Model (f)=Duvenaud et al. GNN2019.03 | 0.775 | |
| GatedGCNPE=LapPE + RS, k=3, #Param=1004K2023.10 | 0.774 | |
| GatedGCNPE=None, k=0, #Param=1004K2023.10 | 0.772 | |
| GraphiTPE=MAP, k=16, #Param=590K2023.10 | 0.769 | |
| SANPE=MAP, k=12, #Param=1152K2023.10 | 0.766 | |
| PNAPE=MAP, k=16, #Param=1951K2023.10 | 0.761 | |
| k-ary RP (k=20)Relational Pooling=true, k (subgraph size)=20, Base Model (f)=Duvenaud et al. GNN2019.03 | 0.755 | |
| PNAPE=None, k=0, #Param=5245K2023.10 | 0.755 | |
| RNN-DFSRelational Pooling=true, Base Model (f)=RNN, Orientation (DFS)=true2019.03 | 0.748 | |
| SANPE=None, k=0, #Param=958K2023.10 | 0.744 | |
| GraphiTPE=None, k=0, #Param=958K2023.10 | 0.743 | |
| k-ary RP (k=10)Relational Pooling=true, k (subgraph size)=10, Base Model (f)=Duvenaud et al. GNN2019.03 | 0.687 | |
| CNN-DFSRelational Pooling=true, Base Model (f)=CNN, Orientation (DFS)=true2019.03 | 0.597 |