update (3d8f6c21) · Commits · 钟慕尧 / deepchem

deepchem/hyper/gaussian_process.py

+9 −5

Original line number	Diff line number	Diff line
		@@ -37,7 +37,7 @@ class GaussianProcessHyperparamOpt(HyperparamOpt):
		'reg_lambda', 'scale_pos_weight', 'base_score'
		],
		logdir=None,
		log_file='GPhypersearch.log')
		log_file='GPhypersearch.log'):
		"""Perform hyperparams search using a gaussian process assumption

		params_dict include single-valued parameters being optimized,
		@@ -190,7 +190,8 @@ class GaussianProcessHyperparamOpt(HyperparamOpt):
		print(hyper_parameters)
		# Run benchmark
		with open(log_file, 'a') as f:
		f.write(hyper_parameters)
		f.write(str(hyper_parameters))
		f.write('\n')
		if isinstance(self.model_class, str) or isinstance(
		self.model_class, unicode):
		try:
		@@ -224,7 +225,8 @@ class GaussianProcessHyperparamOpt(HyperparamOpt):
		score = multitask_scores[metric.name]

		with open(log_file, 'a') as f:
		f.write(score)
		f.write(str(score))
		f.write('\n')
		if direction:
		return score
		else:
		@@ -259,7 +261,8 @@ class GaussianProcessHyperparamOpt(HyperparamOpt):


		with open(log_file, 'a') as f:
		f.write(params_dict)
		f.write(str(params_dict))
		f.write('\n')
		if isinstance(self.model_class, str) or isinstance(
		self.model_class, unicode):
		try:
		@@ -284,7 +287,8 @@ class GaussianProcessHyperparamOpt(HyperparamOpt):
		hyper_parameters=params_dict)
		score = valid_scores[self.model_class][metric[0].name]
		with open(log_file, 'a') as f:
		f.write(score)
		f.write(str(score))
		f.write('\n')
		if not direction:
		score = -score
		if score > valid_performance_opt: