Commit 140a9fd4 authored by miaecle's avatar miaecle
Browse files

little change

parent 08f1d01a
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+3 −3
Original line number Diff line number Diff line
@@ -511,7 +511,7 @@ if __name__ == '__main__':
              'tf_regression', 'graphconvreg']
  if len(datasets) == 0:
    datasets = ['tox21', 'sider', 'muv', 'toxcast', 'pcba', 
                'delaney', 'kaggle', 'nci']
                'delaney', 'nci', 'kaggle']

  #input hyperparameters
  #tf: dropouts, learning rate, layer_sizes, weight initial stddev,penalty,
@@ -546,10 +546,10 @@ if __name__ == '__main__':
                           'bias_init_consts': [1., 1.], 
                           'dropouts': [0.25, 0.25], 
                           'penalty': 0.0005, 'penalty_type': 'l2', 
                           'batch_size': 128, 'nb_epoch': 300, 
                           'batch_size': 128, 'nb_epoch': 50, 
                           'learning_rate': 0.00008}]
  
  hps['graphconvreg'] = [{'batch_size': 128, 'nb_epoch': 300, 
  hps['graphconvreg'] = [{'batch_size': 128, 'nb_epoch': 20, 
                          'learning_rate': 0.0005, 'n_filters': 128, 
                          'n_fully_connected_nodes': 256, 'seed': 123}]

+1 −1
Original line number Diff line number Diff line
@@ -21,9 +21,9 @@
0,pcba,index,classification,train,graphconv,0.87647472,valid,graphconv,0.8523348204,time_for_running,14497.7339029
0,delaney,index,regression,train,tf_regression,0.7830983671,valid,tf_regression,0.5789729655,time_for_running,41.1367759705
0,delaney,index,regression,train,graphconvreg,0.9911206824,valid,graphconvreg,0.7892057714,time_for_running,101.8902909756
0,kaggle,None,regression,train,tf_regression,0.7480423542,valid,tf_regression,0.4516795145,time_for_running,3238.91535401
0,nci,index,regression,train,tf_regression,0.1705293978,valid,tf_regression,0.0623320607,time_for_running,1206.9139225483
0,nci,index,regression,train,graphconvreg,0.1232265163,valid,graphconvreg,0.0479731306,time_for_running,2324.3746082783
0,kaggle,None,regression,train,tf_regression,0.7480423542,valid,tf_regression,0.4516795145,time_for_running,3238.91535401
0,tox21,random,classification,train,tf,0.8565178786,valid,tf,0.7834036936,time_for_running,53.8197240829
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