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Graph Property Prediction on BBBP

88.75ROC-AUCS-CGIB
60.690867.975475.2682.5446Jun 10, 2021Mar 10, 2022Dec 9, 2022Sep 9, 2023Jun 9, 2024Mar 10, 2025Dec 9, 2025

Evaluation results

MethodLinks
S-CGIBDomain Adaptation=true2024.1288.75
GROVE2024.1287.15
S-CGIBDomain Adaptation=false2024.1286.71
MoAMa2024.1285.89
MGSSL2024.1279.52
LEAPPre-training Strategy=GCL, Shot Scenario=full-shot2025.1277.69
GPF-plusPre-training Strategy=GCL, Shot Scenario=full-shot2025.1277.44
GPFPre-training Strategy=GCL, Shot Scenario=full-shot2025.1277.2
RELIEFPre-training Strategy=GCL, Shot Scenario=full-shot2025.1276.93
SUPThardPre-training Strategy=GCL, Shot Scenario=full-shot2025.1276.25
FTPre-training Strategy=GCL, Shot Scenario=full-shot2025.1276.13
SUPTsoftPre-training Strategy=GCL, Shot Scenario=full-shot2025.1276.09
LEAPPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.1276.01
SUPThardPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.1275.62
GPF-plusPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.1275.42
FTPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.1275.33
RELIEFPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.1275.18
SUPTsoftPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.1275.08
LEAPPre-training Strategy=Infomax, Shot Scenario=full-shot2025.1274.89
GPFPre-training Strategy=ContextPred, Shot Scenario=full-shot2025.1274.85
FTPre-training Strategy=Infomax, Shot Scenario=full-shot2025.1274.61
SUPTsoftPre-training Strategy=Infomax, Shot Scenario=full-shot2025.1274.55
GPF-plusPre-training Strategy=Infomax, Shot Scenario=full-shot2025.1274.42
GPFPre-training Strategy=Infomax, Shot Scenario=full-shot2025.1274.19
RELIEFPre-training Strategy=Infomax, Shot Scenario=full-shot2025.1274.18
SUPThardPre-training Strategy=Infomax, Shot Scenario=full-shot2025.1273.99
LEAPPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.1273.84
SUPTsoftPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.1273.51
SUPThardPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.1273.28
RELIEFPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.1273.16
GPF-plusPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.1273.15
GPFPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.1273.08
SpecMatch-CLPre-Train dataset=ZINC 2M2025.1172.88
FTPre-training Strategy=AttrMasking, Shot Scenario=full-shot2025.1272.71
GraphFP2024.1272.05
JOAOv22024.1271.98
JOAO2024.1271.63
SimSGT2024.1271.51
SimGRACEPre-Train dataset=ZINC 2M2025.1171.3
ContextPredPre-Train dataset=ZINC 2M2025.1170.6
AD-GCL-FIXPre-Train Dataset=ZINC 2M2021.0670.01
GraphCLPre-Train Dataset=ZINC 2M2021.0669.68
ContextPred2024.1269.1
InfoGraphPre-Train Dataset=ZINC 2M2021.0668.8
Infomax2024.1268.39
GraphCL2024.1268.39
LEAPPre-training Strategy=Infomax, Shot Scenario=50-shot2025.1268.27
ContextPredPre-Train Dataset=ZINC 2M2021.0668
GraphCLPre-Train dataset=ZINC 2M2025.1167.8
EdgePredPre-Train Dataset=ZINC 2M2021.0667.3
EdgePredPre-Train dataset=ZINC 2M2025.1167.3
MICRO-Graph2024.1267.21
RELIEFPre-training Strategy=Infomax, Shot Scenario=50-shot2025.1267.21
AttrMasking2024.1267.12
LEAPPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.1266.95
GPF-plusPre-training Strategy=Infomax, Shot Scenario=50-shot2025.1266.94
RELIEFPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.1266.86
GPFPre-training Strategy=Infomax, Shot Scenario=50-shot2025.1266.85
GPF-plusPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.1266.83
SUPThardPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.1266.8
GraphLoG2024.1266.75
GPFPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.1266.41
JOAOPre-Train dataset=ZINC 2M2025.1166.4
SUPTsoftPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.1266.33
FTPre-training Strategy=AttrMasking, Shot Scenario=50-shot2025.1266.26
SUPTsoftPre-training Strategy=Infomax, Shot Scenario=50-shot2025.1266.21
SUPThardPre-training Strategy=Infomax, Shot Scenario=50-shot2025.1266
No Pre-TrainPre-Train Dataset=None2021.0665.8
No Pre-TrainPre-Train dataset=None2025.1165.7
AttrMaskingPre-Train dataset=ZINC 2M2025.1165.2
FTPre-training Strategy=Infomax, Shot Scenario=50-shot2025.1265.03
EdgePred2024.1264.73
AttrMaskingPre-Train Dataset=ZINC 2M2021.0664.3
RELIEFPre-training Strategy=GCL, Shot Scenario=50-shot2025.1263.73
LEAPPre-training Strategy=GCL, Shot Scenario=50-shot2025.1263.55
GPF-plusPre-training Strategy=GCL, Shot Scenario=50-shot2025.1262.99
LEAPPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.1262.98
RELIEFPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.1262.86
FTPre-training Strategy=GCL, Shot Scenario=50-shot2025.1262.81
FTPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.1262.69
SUPTsoftPre-training Strategy=GCL, Shot Scenario=50-shot2025.1262.64
SUPThardPre-training Strategy=GCL, Shot Scenario=50-shot2025.1262.55
GPF-plusPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.1262.12
SUPThardPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.1262.11
SUPTsoftPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.1261.93
GPFPre-training Strategy=GCL, Shot Scenario=50-shot2025.1261.86
GPFPre-training Strategy=ContextPred, Shot Scenario=50-shot2025.1261.77