Loading examples/benchmark_low_data.py +11 −4 Original line number Diff line number Diff line Loading @@ -112,7 +112,9 @@ def low_data_benchmark_loading_datasets(hyper_parameters, cross_valid=False, f.write(dataset+','+model+',') f.write('valid,') for i in valid_scores: f.write(str(valid_scores[i])+',') f.write(str(i)+',') for count in valid_scores[i]: f.write(str(valid_scores[i][count])+',') f.write('time_for_running,'+ str(time_finish_fitting-time_start_fitting)+',') Loading Loading @@ -245,11 +247,15 @@ if __name__ == '__main__': help='Choice of model: siamese, attn, res') parser.add_argument('-d', action='append', dest='dataset_args', default=[], help='Choice of dataset: tox21, sider, muv') parser.add_argument('--cv', action='store_true', dest='cross_valid', default=False, help='whether to implement cross validation') args = parser.parse_args() #Datasets and models used in the benchmark test splitters = args.splitter_args models = args.model_args datasets = args.dataset_args cross_valid = args.cross_valid if len(splitters) == 0: splitters = ['task'] Loading @@ -274,7 +280,8 @@ if __name__ == '__main__': for split in splitters: for dataset in datasets: for model in models: low_data_benchmark_loading_datasets(hps, dataset=dataset, model=model, split=split, verbosity='high', out_path='.') low_data_benchmark_loading_datasets(hps, cross_valid=cross_valid, dataset=dataset, model=model, split=split, verbosity='high', out_path='.') examples/low_data/__init__.py 0 → 100644 +0 −0 Empty file added. examples/stable_results.csv +4 −4 Original line number Diff line number Diff line Loading @@ -25,10 +25,10 @@ 0,tox21,random,classification,train,tf_robust,0.8549658589,valid,tf_robust,0.7735497329,time_for_running,88.9351768494 0,tox21,random,classification,train,logreg,0.9028113641,valid,logreg,0.7350604574,time_for_running,60.2267189026 0,tox21,random,classification,train,graphconv,0.8649231702,valid,graphconv,0.8268737631,time_for_running,159.461936951 0,sider,random,classification,train,tf,0.7786895104,valid,tf,0.665646893,time_for_running,75.2554209232 0,sider,random,classification,train,tf_robust,0.7607831717,valid,tf_robust,0.620646631,time_for_running,145.425393105 0,sider,random,classification,train,logreg,0.9315624982,valid,logreg,0.628537773,time_for_running,83.4710030556 0,sider,random,classification,train,graphconv,0.7059736283,valid,graphconv,0.6376782717,time_for_running,52.9893791676 0,sider,random,classification,train,tf,0.7771974636,valid,tf,0.6549811615,time_for_running,77.9807980061 0,sider,random,classification,train,tf_robust,0.8047109857,valid,tf_robust,0.6303796949,time_for_running,144.951164961 0,sider,random,classification,train,logreg,0.9293807224,valid,logreg,0.6562281389,time_for_running,88.3968729973 0,sider,random,classification,train,graphconv,0.7049051898,valid,graphconv,0.6176319797,time_for_running,52.2268190384 0,muv,random,classification,train,tf,0.8953200915,valid,tf,0.7396286547,time_for_running,376.079932213 0,muv,random,classification,train,tf_robust,0.9142442363,valid,tf_robust,0.6672445505,time_for_running,564.25266695 0,muv,random,classification,train,logreg,0.9608985781,valid,logreg,0.6956532843,time_for_running,446.927948952 Loading Loading
examples/benchmark_low_data.py +11 −4 Original line number Diff line number Diff line Loading @@ -112,7 +112,9 @@ def low_data_benchmark_loading_datasets(hyper_parameters, cross_valid=False, f.write(dataset+','+model+',') f.write('valid,') for i in valid_scores: f.write(str(valid_scores[i])+',') f.write(str(i)+',') for count in valid_scores[i]: f.write(str(valid_scores[i][count])+',') f.write('time_for_running,'+ str(time_finish_fitting-time_start_fitting)+',') Loading Loading @@ -245,11 +247,15 @@ if __name__ == '__main__': help='Choice of model: siamese, attn, res') parser.add_argument('-d', action='append', dest='dataset_args', default=[], help='Choice of dataset: tox21, sider, muv') parser.add_argument('--cv', action='store_true', dest='cross_valid', default=False, help='whether to implement cross validation') args = parser.parse_args() #Datasets and models used in the benchmark test splitters = args.splitter_args models = args.model_args datasets = args.dataset_args cross_valid = args.cross_valid if len(splitters) == 0: splitters = ['task'] Loading @@ -274,7 +280,8 @@ if __name__ == '__main__': for split in splitters: for dataset in datasets: for model in models: low_data_benchmark_loading_datasets(hps, dataset=dataset, model=model, split=split, verbosity='high', out_path='.') low_data_benchmark_loading_datasets(hps, cross_valid=cross_valid, dataset=dataset, model=model, split=split, verbosity='high', out_path='.')
examples/stable_results.csv +4 −4 Original line number Diff line number Diff line Loading @@ -25,10 +25,10 @@ 0,tox21,random,classification,train,tf_robust,0.8549658589,valid,tf_robust,0.7735497329,time_for_running,88.9351768494 0,tox21,random,classification,train,logreg,0.9028113641,valid,logreg,0.7350604574,time_for_running,60.2267189026 0,tox21,random,classification,train,graphconv,0.8649231702,valid,graphconv,0.8268737631,time_for_running,159.461936951 0,sider,random,classification,train,tf,0.7786895104,valid,tf,0.665646893,time_for_running,75.2554209232 0,sider,random,classification,train,tf_robust,0.7607831717,valid,tf_robust,0.620646631,time_for_running,145.425393105 0,sider,random,classification,train,logreg,0.9315624982,valid,logreg,0.628537773,time_for_running,83.4710030556 0,sider,random,classification,train,graphconv,0.7059736283,valid,graphconv,0.6376782717,time_for_running,52.9893791676 0,sider,random,classification,train,tf,0.7771974636,valid,tf,0.6549811615,time_for_running,77.9807980061 0,sider,random,classification,train,tf_robust,0.8047109857,valid,tf_robust,0.6303796949,time_for_running,144.951164961 0,sider,random,classification,train,logreg,0.9293807224,valid,logreg,0.6562281389,time_for_running,88.3968729973 0,sider,random,classification,train,graphconv,0.7049051898,valid,graphconv,0.6176319797,time_for_running,52.2268190384 0,muv,random,classification,train,tf,0.8953200915,valid,tf,0.7396286547,time_for_running,376.079932213 0,muv,random,classification,train,tf_robust,0.9142442363,valid,tf_robust,0.6672445505,time_for_running,564.25266695 0,muv,random,classification,train,logreg,0.9608985781,valid,logreg,0.6956532843,time_for_running,446.927948952 Loading
