bcef53fdba799a4c6a250c9d0d67a30db4696ee5,deepchem/models/tests/test_normalizing_flows.py,,test_normalizing_flow,#,23

Before Change

  nfm = NormalizingFlowModel(nf)

  // Must be float32 for RealNVP
  dataset = NumpyDataset(
      X=np.random.rand(5, 3).astype(np.float32),
      y=np.random.rand(5,),
      ids=np.arange(5))

  // Tests a simple flow of one RealNVP layer.

  X = nfm.flow.sample()

After Change

  // Must be float32 for RealNVP
  target_distribution = tfd.MultivariateNormalDiag(loc=[1., 0.])
  dataset = NumpyDataset(X=target_distribution.sample(96))

  // Tests a simple flow of one RealNVP layer.

  X = nfm.flow.sample()
  x1 = tf.zeros([2])
  x2 = dataset.X[0]

  // log likelihoods should be negative
  assert nfm.flow.log_prob(X).numpy() < 0
  assert nfm.flow.log_prob(x1).numpy() < 0
  assert nfm.flow.log_prob(x2).numpy() < 0

  // // Fit model
  final = nfm.fit(dataset, nb_epoch=5)
  print(final)
  assert final > 0

Instances