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Graph-level prediction on OGBG-MOLPCBA (test)

29.39APGPS+LapPE
7.227612.981318.73524.4887Mar 29, 2021Nov 30, 2021Aug 3, 2022Apr 7, 2023Dec 9, 2023Aug 11, 2024Apr 15, 2025

Evaluation results

MethodLinks
GPS+LapPEBackbone=GPS, Structural Encoding=LapPE2025.0429.39
GINE++VNNo. params=6,147,0292021.0329.17
GPS+GFSEBackbone=GPS, Structural Encoding=GFSE2025.0429.16
GPS+GPSEBackbone=GPS, Structural Encoding=GPSE2025.0429.11
GPS+RWSEBackbone=GPS, Structural Encoding=RWSE2025.0429.07
RAN-GIN+VN+FLAGNo. params=5,572,0262021.0328.79
GPSBackbone=GPS, Structural Encoding=None2025.0428.69
DeeperGCN+VN+FLAGNo. params=5,550,2082021.0328.42
GIN+GFSEBackbone=GIN, Structural Encoding=GFSE2025.0428.39
GIN+VN+FLAGNo. params=3,374,5332021.0328.34
PNAPositional Encoding=MAP, k=16, Number of Parameters=4612K2023.1028.1
PNAPositional Encoding=None, k=0, Number of Parameters=6551K2023.1027.9
GIN+RWSEBackbone=GIN, Structural Encoding=RWSE2025.0427.81
GIN+GPSEBackbone=GIN, Structural Encoding=GPSE2025.0427.65
GINBackbone=GIN, Structural Encoding=None2025.0427.03
GIN+LapPEBackbone=GIN, Structural Encoding=LapPE2025.0427.01
GatedGCNPositional Encoding=MAP, k=3, Number of Parameters=2658K2023.1026.8
GatedGCNPositional Encoding=LapPE + RS, k=3, Number of Parameters=1009K2023.1026.6
GatedGCNPositional Encoding=None, k=0, Number of Parameters=1008K2023.1026.2
RAN-GINNo. params=1,868,7742021.0324.93
GCN+GFSEBackbone=GCN, Structural Encoding=GFSE2025.0424.77
GCN+RWSEBackbone=GCN, Structural Encoding=RWSE2025.0424.38
GCNBackbone=GCN, Structural Encoding=None2025.0424.24
GCN+LapPEBackbone=GCN, Structural Encoding=LapPE2025.0424.17
GCN+VN+FLAGNo. params=2,017,0282021.0323.84
TF+GFSEBackbone=Transformer, Structural Encoding=GFSE2025.0423.76
ChebNetNo. params=1,475,0032021.0323.06
GINNo. params=1,923,4332021.0322.66
TF+RWSEBackbone=Transformer, Structural Encoding=RWSE2025.0420.83
SIGNNo. params=5,516,2282021.0320.47
TF+GPSEBackbone=Transformer, Structural Encoding=GPSE2025.0420.4
GCNNo. params=565,9282021.0320.2
GCN+GPSEBackbone=GCN, Structural Encoding=GPSE2025.0419.58
TF+LapPEBackbone=Transformer, Structural Encoding=LapPE2025.0417.84
TransformerBackbone=Transformer, Structural Encoding=None2025.048.08