Transform on predict (7911e480) · Commits · 钟慕尧 / deepchem

deepchem/models/init.py

+9 −1

Original line number	Diff line number	Diff line
		@@ -102,11 +102,13 @@ class Model(object):
		batch_size = self.model_params["batch_size"]
		for epoch in range(self.model_params["nb_epoch"]):
		log("Starting epoch %s" % str(epoch+1), self.verbosity)
		losses = []
		for (X_batch, y_batch, w_batch, _) in dataset.iterbatches(batch_size):
		if self.fit_transformers:
		X_batch, y_batch, w_batch = self.transform_on_batch(X_batch, y_batch,
		w_batch, self.batch_dataset)
		self.fit_on_batch(X_batch, y_batch, w_batch)
		losses.append(self.fit_on_batch(X_batch, y_batch, w_batch))
		log("Avg loss for epoch %d: %f" % (epoch+1,np.array(losses).mean()),self.verbosity)


		def transform_on_batch(self, X, y, w, batch_dataset):
		@@ -165,6 +167,12 @@ class Model(object):

		batch_size = self.model_params["batch_size"]
		for (X_batch, y_batch, w_batch, ids_batch) in dataset.iterbatches(batch_size):

		# Apply fit_transformers if needed
		if self.fit_transformers:
		X_batch, y_batch, w_batch = self.transform_on_batch(X_batch, y_batch,
		w_batch, self.batch_dataset)

		y_pred = self.predict_on_batch(X_batch)
		y_pred = np.reshape(y_pred, np.shape(y_batch))

+1 −0

Original line number	Diff line number	Diff line
		@@ -715,6 +715,7 @@ class TensorflowModel(Model):
		self.eval_model = tf_class(model_params, logdir, task_types, train=False,
		verbosity=verbosity)
		self.num_tasks = len(task_types)
		self.fit_transformers = None

		def fit(self, dataset):
		"""