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Molecular property prediction on BACE 50-shot (test)

0.6756ROC-AUCGPF
0.4916240.5393870.587150.634913Sep 30, 2022Dec 23, 2022Mar 17, 2023Jun 9, 2023Sep 1, 2023Nov 24, 2023Feb 16, 2024

Evaluation results

MethodLinks
GPFPre-training Strategy=GCL2022.090.6756
GPF-plusPre-training Strategy=ContextPred2022.090.6421
GPF-plusPre-training Strategy=GCL2022.090.641
SUPTsoftPre-training strategy=GCL, Shots=502024.020.6361
SUPThardPre-training strategy=GCL, Shots=502024.020.6325
GPFPre-training Strategy=EdgePred2022.090.6285
GPF-plusPre-training Strategy=EdgePred2022.090.626
SUPThardPre-training strategy=EdgePred, Shots=502024.020.6212
GPFPre-training strategy=EdgePred, Shots=502024.020.6203
GPF-plusPre-training strategy=GCL, Shots=502024.020.6172
GPFPre-training strategy=GCL, Shots=502024.020.617
SUPTsoftPre-training strategy=EdgePred, Shots=502024.020.617
Fine-tuningPre-training Strategy=EdgePred2022.090.6127
FTPre-training strategy=EdgePred, Shots=502024.020.6127
GPF-plusPre-training strategy=EdgePred, Shots=502024.020.6084
GPFPre-training Strategy=ContextPred2022.090.5991
SUPThardPre-training strategy=ContextPred, Shots=502024.020.5897
SUPTsoftPre-training strategy=ContextPred, Shots=502024.020.5831
GPFPre-training Strategy=AttrMasking2022.090.5731
GPF-plusPre-training Strategy=AttrMasking2022.090.5729
SUPThardPre-training strategy=Infomax, Shots=502024.020.5703
SUPTsoftPre-training strategy=AttrMasking, Shots=502024.020.568
SUPTsoftPre-training strategy=Infomax, Shots=502024.020.5659
SUPThardPre-training strategy=AttrMasking, Shots=502024.020.5657
GPF-plusPre-training Strategy=Infomax2022.090.5656
Fine-tuningPre-training Strategy=ContextPred2022.090.5637
FTPre-training strategy=ContextPred, Shots=502024.020.5637
GPFPre-training strategy=ContextPred, Shots=502024.020.5619
Fine-tuningPre-training Strategy=AttrMasking2022.090.5562
FTPre-training strategy=AttrMasking, Shots=502024.020.5562
GPF-plusPre-training strategy=ContextPred, Shots=502024.020.5549
GPFPre-training Strategy=Infomax2022.090.5449
GPF-plusPre-training strategy=Infomax, Shots=502024.020.5353
GPFPre-training strategy=AttrMasking, Shots=502024.020.5304
Fine-tuningPre-training Strategy=Infomax2022.090.5264
FTPre-training strategy=Infomax, Shots=502024.020.5264
GPF-plusPre-training strategy=AttrMasking, Shots=502024.020.5128
GPFPre-training strategy=Infomax, Shots=502024.020.5113
Fine-tuningPre-training Strategy=GCL2022.090.4987
FTPre-training strategy=GCL, Shots=502024.020.4987