Give More Room For On Evaluator Tests (d69dfdc5) · Commits · 钟慕尧 / deepchem

deepchem/models/tensorgraph/tensor_graph.py

+4 −0

Original line number	Diff line number	Diff line
		@@ -23,6 +23,7 @@ class TensorGraph(Model):
		tensorboard_log_frequency=100,
		learning_rate=0.001,
		batch_size=100,
		random_seed=None,
		use_queue=True,
		mode="regression",
		**kwargs):
		@@ -81,6 +82,7 @@ class TensorGraph(Model):

		self.learning_rate = learning_rate
		self.batch_size = batch_size
		self.random_seed = random_seed
		super(TensorGraph, self).__init__(**kwargs)
		self.save_file = "%s/%s" % (self.model_dir, "model")
		self.model_class = None
		@@ -307,6 +309,8 @@ class TensorGraph(Model):
		if self.built:
		return
		with self._get_tf("Graph").as_default():
		if self.random_seed is not None:
		tf.set_random_seed(self.random_seed)
		self._install_queue()
		order = self.topsort()
		print(order)

+8 −2

Original line number	Diff line number	Diff line
		@@ -114,8 +114,10 @@ class TestGeneratorEvaluator(TestCase):
		assert_true(np.isclose(scores, [1.0], atol=0.05))

		def test_compute_model_performance_multitask_regressor(self):
		random_seed = 42
		n_data_points = 20
		n_features = 2
		np.random.seed(seed=random_seed)

		X = np.random.rand(n_data_points, n_features)
		y1 = np.expand_dims(np.array([0.5 for x in range(n_data_points)]), axis=-1)
		@@ -143,7 +145,11 @@ class TestGeneratorEvaluator(TestCase):

		total_loss = ReduceMean(in_layers=losses)

		tg = dc.models.TensorGraph(mode="regression", learning_rate=0.1)
		tg = dc.models.TensorGraph(
		mode="regression",
		batch_size=20,
		random_seed=random_seed,
		learning_rate=0.1)
		for output in outputs:
		tg.add_output(output)
		tg.set_loss(total_loss)
		@@ -158,7 +164,7 @@ class TestGeneratorEvaluator(TestCase):
		scores = tg.evaluate_generator(
		databag.iterbatches(), metric, labels=labels, per_task_metrics=True)
		scores = list(scores[1].values())
		assert_true(np.all(np.isclose(scores, [0.0, 0.0], atol=0.5)))
		assert_true(np.all(np.isclose(scores, [0.0, 0.0], atol=1.0)))

		def test_compute_model_performance_singletask_regressor(self):
		n_data_points = 20