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ResearchFormerly WizWand

Graph Classification on MOLBACE

0.8269ROC AUCFC-GSSL
0.6814040.7191770.756950.794723Apr 20, 2024Aug 19, 2024Dec 18, 2024Apr 18, 2025Aug 17, 2025Dec 16, 2025Apr 17, 2026
Updated 6mo ago

Evaluation results

MethodLinks
FC-GSSL2026.040.8269
GraphPAE2026.040.8111
GraphMAE22026.040.8074
DIGRAFBackbone=GIN, Activation=DIGRAF2024.070.8037
GIN + GRANOLABackbone=GIN, Normalization=GRANOLA, RNF-Adaptive=true2024.040.7992
GraphMAE2026.040.7914
DIGRAF (W/O ADAP.)Backbone=GIN, Activation=DIGRAF (W/O ADAP.)2024.070.789
Sp2GCL2026.040.7876
AUG-MAE2026.040.7854
GIN + RNF-NORMBackbone=GIN, Normalization=RNF-NORM2024.040.7796
StructMAE2026.040.7775
MedianBackbone=GIN, Activation=Median2024.070.7726
SwishBackbone=GIN, Activation=Swish2024.070.7723
GIN + LayerNorm-nodeBackbone=GIN, Normalization=LayerNorm-node2024.040.7712
MaxBackbone=GIN, Activation=Max2024.070.7704
MaxoutBackbone=GIN, Activation=Maxout2024.070.7683
GIN + LayerNorm-graphBackbone=GIN, Normalization=LayerNorm-graph2024.040.7649
GIN + MeanSubtractionNormBackbone=GIN, Normalization=MeanSubtractionNorm2024.040.7636
GIN + GRANOLA-NO-RNFBackbone=GIN, Normalization=GRANOLA, RNF-Adaptive=false2024.040.7623
GIN + GraphSizeNormBackbone=GIN, Normalization=GraphSizeNorm2024.040.7618
PReLUBackbone=GIN, Activation=PReLU2024.070.7616
ELUBackbone=GIN, Activation=ELU2024.070.761
GIN + DiffGroupNormBackbone=GIN, Normalization=DiffGroupNorm2024.040.7596
GIN + NodeNormBackbone=GIN, Normalization=NodeNorm2024.040.7567
GeLUBackbone=GIN, Activation=GeLU2024.070.7559
GReLUBackbone=GIN, Activation=GReLU2024.070.7517
GIN + SuperNormBackbone=GIN, Normalization=SuperNorm2024.040.7512
GIN + PairNormBackbone=GIN, Normalization=PairNorm2024.040.7511
TanhBackbone=GIN, Activation=Tanh2024.070.7492
MVGRL2026.040.7488
GIN + InstanceNormBackbone=GIN, Normalization=InstanceNorm2024.040.7486
JOAO2026.040.7443
GIN + BatchNorm + RNF-PEBackbone=GIN, Normalization=BatchNorm, Positional Encoding=RNF-PE2024.040.7428
InfoGraph2026.040.7364
LeakyReLUBackbone=GIN, Activation=LeakyReLU2024.070.734
GraphCL2026.040.7332
GIN + GraphNormBackbone=GIN, Normalization=GraphNorm2024.040.7323
GIN + BatchNormBackbone=GIN, Normalization=BatchNorm2024.040.7297
ReLUBackbone=GIN, Activation=ReLU2024.070.7297
IdentityBackbone=GIN, Activation=Identity2024.070.7269
GIN + IdentityBackbone=GIN, Normalization=None2024.040.7255
SigmoidBackbone=GIN, Activation=Sigmoid2024.070.687