Commit d95b5493 authored by miaecle's avatar miaecle
Browse files

fix failure

parent dad2e84c
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+1 −7
Original line number Diff line number Diff line
@@ -119,8 +119,6 @@ class ANIRegression(TensorGraph):
               activation_fn='ani',
               layer_structures=[128, 64],
               atom_number_cases=[1, 6, 7, 8, 16],
               dropout_prob=0.,
               penalty=0.,
               **kwargs):
    """
    Parameters
@@ -138,8 +136,6 @@ class ANIRegression(TensorGraph):
    self.activation_fn = activation_fn
    self.layer_structures = layer_structures
    self.atom_number_cases = atom_number_cases
    self.dropout_prob = dropout_prob
    self.penalty = penalty
    super(ANIRegression, self).__init__(**kwargs)

    # (ytz): this is really dirty but needed for restoring models
@@ -324,8 +320,7 @@ class ANIRegression(TensorGraph):
          self.atom_number_cases,
          activation=self.activation_fn,
          in_layers=[previous_layer, self.atom_numbers])
      dropout = Dropout(self.dropout_prob, in_layers=[Hidden])
      Hiddens.append(dropout)
      Hiddens.append(Hidden)
      previous_layer = Hiddens[-1]

    costs = []
@@ -346,7 +341,6 @@ class ANIRegression(TensorGraph):
    loss = WeightedError(in_layers=[all_cost, self.weights])
    if self.exp_loss:
      loss = Exp(in_layers=[loss])
    loss = WeightDecay(self.penalty, 'l2', in_layers=[loss])
    self.set_loss(loss)

  def default_generator(self,
+1 −2
Original line number Diff line number Diff line
@@ -43,8 +43,7 @@ class TestANIRegression(unittest.TestCase):
        "learning_rate": 0.001,
        "use_queue": False,
        "mode": "regression",
        "model_dir": self.model_dir,
        "activation_fn": "relu"
        "model_dir": self.model_dir
    }

    model = ANIRegression(**self.kwargs)
+0 −2
Original line number Diff line number Diff line
@@ -66,8 +66,6 @@ for lr in lr_scedule:
      exp_loss=False,
      layer_structures=layer_structures,
      atom_number_cases=atom_number_cases,
      dropout=0.,
      penalty=0.,
      batch_size=batch_size,
      learning_rate=lr,
      use_queue=False,