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Molecular Property Prediction on ClinTox 50-shot (test)

0.6874ROC AUCGPF
0.4779440.5323220.58670.641078Sep 30, 2022Dec 23, 2022Mar 17, 2023Jun 9, 2023Sep 1, 2023Nov 24, 2023Feb 16, 2024

Evaluation results

MethodLinks
GPFPre-training Strategy=EdgePred2022.090.6874
SUPThardPre-training strategy=EdgePred, Shots=502024.020.6795
GPFPre-training strategy=EdgePred, Shots=502024.020.6782
SUPTsoftPre-training strategy=EdgePred, Shots=502024.020.677
GPF-plusPre-training Strategy=EdgePred2022.090.6664
SUPThardPre-training strategy=AttrMasking, Shots=502024.020.6635
SUPTsoftPre-training strategy=AttrMasking, Shots=502024.020.6627
GPFPre-training Strategy=AttrMasking2022.090.6534
GPF-plusPre-training Strategy=GCL2022.090.6522
GPFPre-training strategy=AttrMasking, Shots=502024.020.648
SUPThardPre-training strategy=Infomax, Shots=502024.020.6455
GPF-plusPre-training strategy=EdgePred, Shots=502024.020.6451
GPFPre-training Strategy=GCL2022.090.6444
SUPTsoftPre-training strategy=Infomax, Shots=502024.020.6444
GPF-plusPre-training Strategy=AttrMasking2022.090.6334
GPF-plusPre-training Strategy=Infomax2022.090.6296
GPF-plusPre-training strategy=AttrMasking, Shots=502024.020.6292
GPFPre-training Strategy=Infomax2022.090.6244
GPFPre-training strategy=Infomax, Shots=502024.020.624
GPF-plusPre-training strategy=Infomax, Shots=502024.020.6234
SUPTsoftPre-training strategy=GCL, Shots=502024.020.6162
Fine-tuningPre-training Strategy=AttrMasking2022.090.6151
FTPre-training strategy=AttrMasking, Shots=502024.020.6151
SUPThardPre-training strategy=GCL, Shots=502024.020.6151
GPF-plusPre-training strategy=GCL, Shots=502024.020.6079
Fine-tuningPre-training Strategy=Infomax2022.090.586
FTPre-training strategy=Infomax, Shots=502024.020.586
SUPThardPre-training strategy=ContextPred, Shots=502024.020.5787
Fine-tuningPre-training Strategy=EdgePred2022.090.5778
FTPre-training strategy=EdgePred, Shots=502024.020.5778
Fine-tuningPre-training Strategy=GCL2022.090.5405
FTPre-training strategy=GCL, Shots=502024.020.5405
SUPTsoftPre-training strategy=ContextPred, Shots=502024.020.5343
GPFPre-training strategy=GCL, Shots=502024.020.5321
GPFPre-training Strategy=ContextPred2022.090.5303
GPF-plusPre-training Strategy=ContextPred2022.090.5237
GPFPre-training strategy=ContextPred, Shots=502024.020.5203
GPF-plusPre-training strategy=ContextPred, Shots=502024.020.5171
Fine-tuningPre-training Strategy=ContextPred2022.090.486
FTPre-training strategy=ContextPred, Shots=502024.020.486