dcekit 2.13.4__tar.gz → 2.14.1__tar.gz

{dcekit-2.13.4/dcekit.egg-info → dcekit-2.14.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: dcekit
-Version: 2.13.4
+Version: 2.14.1
 Summary: Data Chemical Engineering toolkit
 Home-page: https://github.com/hkaneko1985/dcekit/
 Author: Hiromasa Kaneko

{dcekit-2.13.4 → dcekit-2.14.1}/dcekit/optimization/__init__.py

@@ -10,3 +10,5 @@ from .iot import iot_obj_func
 from .iot import iot
 from .opt_dnn_hyperparams import bo_dnn_hyperparams
 from .opt_dnn_hyperparams import gs_dnn_hyperparams
+from .opt_dnn_hyperparams_class import bo_dnn_hyperparams_class
+from .opt_dnn_hyperparams_class import gs_dnn_hyperparams_class

dcekit-2.14.1/dcekit/optimization/opt_dnn_hyperparams_class.py

@@ -0,0 +1,374 @@
+# -*- coding: utf-8 -*- %reset -f
+"""
+@author: Hiromasa Kaneko
+"""
+
+import sys
+
+import numpy as np
+import pandas as pd
+from sklearn.neural_network import MLPClassifier
+from sklearn.model_selection import StratifiedKFold, cross_val_predict
+from sklearn.gaussian_process import GaussianProcessRegressor
+from sklearn.gaussian_process.kernels import WhiteKernel, RBF, ConstantKernel, Matern, DotProduct
+from sklearn.metrics import accuracy_score
+from scipy.stats import norm
+import warnings
+warnings.simplefilter('ignore')
+
+def bo_dnn_hyperparams_class(x, y,
+                       hidden_layer_sizes_candidates=[(50,), (100,), (50, 10), (100, 10), (50, 50, 10), (100, 100, 10), (50, 50, 50, 10), (100, 100, 100, 10)],
+                       activation_candidates=['identity', 'logistic', 'tanh', 'relu'],
+                       alpha_candidates=10 ** np.arange(-6, -1, dtype=float),
+                       learning_rate_init_candidates=10 ** np.arange(-5, 0, dtype=float),
+                       parameter=5, bo_iteration_number=15, display_flag=False):
+    """
+    Bayesian optimization of scikit-learn[MLPClassifier]-based deep neural network (DNN) hyperparameters
+    
+    Optimize DNN hyperparameters based on Bayesian optimization and cross-validation
+
+    Parameters
+    ----------
+    x : numpy.array or pandas.DataFrame
+        (autoscaled) m x n matrix of X-variables of training data,
+        m is the number of training sammples and
+        n is the number of X-variables
+    y : numpy.array or pandas.DataFrame
+        (autoscaled) m x 1 vector of a Y-variable of training data
+    hidden_layer_sizes_candidates : list
+        vector of candidates of hidden_layer_sizes in MLPClassifier
+    activation_candidates : list
+        vector of candidates of activation in MLPClassifier
+    alpha_candidates : numpy.array or list
+        vector of candidates of alpha in MLPClassifier
+    learning_rate_init_candidates : numpy.array or list
+        vector of candidates of learning_rate_init in MLPClassifier    
+    parameter : int
+        "fold_number"-fold cross-validation in cross-validation, and k in midknn
+
+    Returns
+    -------
+    optimal_hidden_layer_sizes : tuple
+        optimized hidden_layer_sizes in MLPClassifier
+    optimal_activation : str
+        optimized activation in MLPClassifier
+    optimal_alpha : float
+        optimized alpha in MLPClassifier
+    optimal_learning_rate_init : float
+        optimized learning_rate_init in MLPClassifier
+    """
+        
+    # 実験計画法の条件
+    doe_number_of_selecting_samples = 15  # 選択するサンプル数
+    doe_number_of_random_searches = 100  # ランダムにサンプルを選択して D 最適基準を計算する繰り返し回数
+    # BOの設定
+    bo_iterations = np.arange(0, bo_iteration_number + 1)
+    bo_gp_fold_number = 5 # BOのGPを構築するためのcvfold数
+    bo_number_of_selecting_samples = 1  # 選択するサンプル数
+    #bo_regression_method = 'gpr_kernels'  # gpr_one_kernel', 'gpr_kernels'
+    bo_regression_method = 'gpr_one_kernel'  # gpr_one_kernel', 'gpr_kernels'
+    bo_kernel_number = 2  # 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10
+    acquisition_function = 'PTR'  # 'PTR', 'PI', 'EI', 'MI'
+    target_range = [1, 100]  # PTR
+    relaxation = 0.01  # EI, PI
+    delta = 10 ** -6  # MI
+ 
+    x = np.array(x)
+    y = np.array(y)
+    alpha_candidates = np.array(alpha_candidates)
+    learning_rate_init_candidates = np.array(learning_rate_init_candidates)
+
+    hidden_layer_sizes_indexes = [i for i in range(len(hidden_layer_sizes_candidates))]
+    activation_candidates_indexes = [i for i in range(len(activation_candidates))]
+    all_candidate_combinations = []
+    for hidden_layer_sizes_index in hidden_layer_sizes_indexes:
+        for activation_candidates_indexe in activation_candidates_indexes:
+            for alpha_candidate in alpha_candidates:
+                for learning_rate_init_candidate in learning_rate_init_candidates:
+                    all_candidate_combinations.append([hidden_layer_sizes_index, activation_candidates_indexe, alpha_candidate, learning_rate_init_candidate])
+    all_candidate_combinations = np.array(all_candidate_combinations)
+    all_candidate_combinations_df = pd.DataFrame(all_candidate_combinations, columns=['hidden_layer_sizes', 'activation', 'alpha', 'learning_rate_init'])
+    
+    if all_candidate_combinations_df.shape[0] <= doe_number_of_selecting_samples + bo_iteration_number:
+        optimal_hidden_layer_sizes, optimal_activation, optimal_alpha, optimal_learning_rate_init = gs_dnn_hyperparams_class(x, y,
+                       hidden_layer_sizes_candidates=hidden_layer_sizes_candidates,
+                       activation_candidates=activation_candidates,
+                       alpha_candidates=alpha_candidates,
+                       learning_rate_init_candidates=learning_rate_init_candidates,
+                       parameter=parameter, display_flag=display_flag)
+        return optimal_hidden_layer_sizes, optimal_activation, optimal_alpha, optimal_learning_rate_init
+    
+    numerical_variable_numbers = np.array([2, 3])
+    category_variable_numbers = np.array([0, 1])
+    #category_variable_names = all_candidate_combinations_df.columns[category_variable_numbers]
+    numerical_x = all_candidate_combinations_df.iloc[:, numerical_variable_numbers]
+    if len(np.where(alpha_candidates <= 0)[0]) == 0:
+        numerical_x.iloc[:, 0] = np.log10(numerical_x.iloc[:, 0])
+    if len(np.where(learning_rate_init_candidates <= 0)[0]) == 0:
+        numerical_x.iloc[:, 1] = np.log10(numerical_x.iloc[:, 1])
+    category_x = all_candidate_combinations_df.iloc[:, category_variable_numbers]
+    dummy_x = pd.get_dummies(category_x.astype(str))
+#    all_x = pd.concat([numerical_x, dummy_x], axis=1)
+    params_df = pd.concat([numerical_x, dummy_x], axis=1)
+    
+    
+    cross_validation = StratifiedKFold(n_splits=parameter, random_state=9, shuffle=True)
+    # ベイズ最適化の繰り返し
+    for bo_iter in bo_iterations:
+        if display_flag:
+            print(f'Bayesian optimization iteration : {bo_iter + 1} / {bo_iteration_number}')
+    #    print('='*10)
+        if bo_iter == 0: # 最初の試行ではD最適基準を計算
+            # D最適基準の計算
+            autoscaled_params_df = (params_df - params_df.mean(axis=0)) / params_df.std(axis=0, ddof=1) # 計算のために標準化
+    
+            all_indexes = list(range(autoscaled_params_df.shape[0])) # indexを取得
+    
+            np.random.seed(11) # 乱数を生成するためのシードを固定
+            for random_search_number in range(doe_number_of_random_searches):
+                # 1. ランダムに候補を選択
+                new_selected_indexes = np.random.choice(all_indexes, doe_number_of_selecting_samples, replace=False)
+                new_selected_samples = autoscaled_params_df.iloc[new_selected_indexes, :]
+                # 2. D 最適基準を計算
+                xt_x = np.dot(new_selected_samples.T, new_selected_samples)
+                d_optimal_value = np.linalg.det(xt_x) 
+                # 3. D 最適基準が前回までの最大値を上回ったら、選択された候補を更新
+                if random_search_number == 0:
+                    best_d_optimal_value = d_optimal_value.copy()
+                    selected_sample_indexes = new_selected_indexes.copy()
+                else:
+                    if best_d_optimal_value < d_optimal_value:
+                        best_d_optimal_value = d_optimal_value.copy()
+                        selected_sample_indexes = new_selected_indexes.copy()
+            selected_sample_indexes = list(selected_sample_indexes) # リスト型に変換
+            # 選択されたサンプル、選択されなかったサンプル
+            selected_params_df = params_df.iloc[selected_sample_indexes, :]  # 選択されたサンプル
+            true_selected_params_df = all_candidate_combinations_df.iloc[selected_sample_indexes, :]
+            bo_params_df = selected_params_df.copy() # BOのGPモデル構築用データを作成
+            remaining_indexes = np.delete(all_indexes, selected_sample_indexes)  # 選択されなかったサンプルのインデックス
+            remaining_params_df = params_df.iloc[remaining_indexes, :]  # 選択されなかったサンプル
+            true_remaining_params_df = all_candidate_combinations_df.iloc[remaining_indexes, :]
+    
+            # 選択された全候補でGMRの計算
+            params_with_score_df = params_df.copy() # cvのscoreが含まれるdataframe
+            params_with_score_df['score'] = np.nan # 初期値はnanを設定
+    
+        else: # 2回目以降では前回の結果をもとにする
+            selected_sample_indexes = next_samples_df.index # 提案サンプルのindex
+            selected_params_df = params_df.loc[selected_sample_indexes, :] # 次に計算するサンプル
+            true_selected_params_df = all_candidate_combinations_df.loc[selected_sample_indexes, :] # 次に計算するサンプル
+            bo_params_df = pd.concat([bo_params_df, selected_params_df], axis=0) # BOのGPモデル構築用データは前回のデータと提案サンプルをマージする
+            remaining_params_df = params_df.loc[params_with_score_df['score'].isna(), :] # 選択されなかったサンプル
+            remaining_params_df = remaining_params_df.drop(index=selected_sample_indexes)
+            true_remaining_params_df = all_candidate_combinations_df.loc[params_with_score_df['score'].isna(), :] # 選択されなかったサンプル
+            true_remaining_params_df = true_remaining_params_df.drop(index=selected_sample_indexes)
+    
+        # 選ばれたサンプル（パラメータの組み合わせ）を一つずつ計算する
+        for i_n, selected_params_idx in enumerate(selected_sample_indexes):
+            selected_params = true_selected_params_df.loc[selected_params_idx, :] # サンプルの選択
+            model = MLPClassifier(hidden_layer_sizes=hidden_layer_sizes_candidates[int(selected_params.iloc[0])],
+                                 activation=activation_candidates[int(selected_params.iloc[1])],
+                                 alpha=selected_params.iloc[2],
+                                 learning_rate_init=selected_params.iloc[3],
+                                 random_state=99)
+            estimated_y = cross_val_predict(model, x, y, cv=cross_validation)
+            params_with_score_df.loc[selected_params_idx, 'score'] = accuracy_score(y, estimated_y) # データの保存
+        if display_flag:
+            print('Best score :', params_with_score_df['score'].max())
+            print('='*10)
+        
+        # 最後はBOの計算をしないためbreak
+        if bo_iter + 1 == bo_iteration_number:
+            break
+                
+        # Bayesian optimization
+        bo_x_data = bo_params_df.copy() # GP学習用データはGMRの結果があるサンプル
+        bo_x_prediction = remaining_params_df.copy() # predictionは選択されていない（GMRの結果がない）サンプル
+        bo_y_data = params_with_score_df.loc[bo_params_df.index, 'score'] # yはGMRのr2cv
+        
+        # カーネル 11 種類
+        bo_kernels = [ConstantKernel() * DotProduct() + WhiteKernel(),
+                    ConstantKernel() * RBF() + WhiteKernel(),
+                    ConstantKernel() * RBF() + WhiteKernel() + ConstantKernel() * DotProduct(),
+                    ConstantKernel() * RBF(np.ones(bo_x_data.shape[1])) + WhiteKernel(),
+                    ConstantKernel() * RBF(np.ones(bo_x_data.shape[1])) + WhiteKernel() + ConstantKernel() * DotProduct(),
+                    ConstantKernel() * Matern(nu=1.5) + WhiteKernel(),
+                    ConstantKernel() * Matern(nu=1.5) + WhiteKernel() + ConstantKernel() * DotProduct(),
+                    ConstantKernel() * Matern(nu=0.5) + WhiteKernel(),
+                    ConstantKernel() * Matern(nu=0.5) + WhiteKernel() + ConstantKernel() * DotProduct(),
+                    ConstantKernel() * Matern(nu=2.5) + WhiteKernel(),
+                    ConstantKernel() * Matern(nu=2.5) + WhiteKernel() + ConstantKernel() * DotProduct()]
+    
+        next_samples = pd.DataFrame([], columns=selected_params_df.columns)  # 次のサンプルを入れる変数を準備
+    
+        # 次の候補を複数提案する繰り返し工程
+        for bo_sample_number in range(bo_number_of_selecting_samples):
+            # オートスケーリング
+            bo_x_data_std = bo_x_data.std()
+            bo_x_data_std[bo_x_data_std == 0] = 1
+            autoscaled_bo_y_data = (bo_y_data - bo_y_data.mean()) / bo_y_data.std()
+            autoscaled_bo_x_data = (bo_x_data - bo_x_data.mean()) / bo_x_data_std
+            autoscaled_bo_x_prediction = (bo_x_prediction - bo_x_data.mean()) / bo_x_data_std
+            
+            # モデル構築
+            if bo_regression_method == 'gpr_one_kernel':
+                bo_selected_kernel = bo_kernels[bo_kernel_number]
+                bo_model = GaussianProcessRegressor(alpha=0, kernel=bo_selected_kernel)
+    
+            elif bo_regression_method == 'gpr_kernels':
+                # クロスバリデーションによるカーネル関数の最適化
+                bo_cross_validation = StratifiedKFold(n_splits=bo_gp_fold_number, random_state=9, shuffle=True) # クロスバリデーションの分割の設定
+                bo_acc_cvs = [] # 空の list。カーネル関数ごとに、クロスバリデーション後の r2 を入れていきます
+                for index, bo_kernel in enumerate(bo_kernels):
+                    bo_model = GaussianProcessRegressor(alpha=0, kernel=bo_kernel)
+                    estimated_bo_y_in_cv = np.ndarray.flatten(cross_val_predict(bo_model, autoscaled_bo_x_data, autoscaled_bo_y_data, cv=bo_cross_validation))
+                    estimated_bo_y_in_cv = estimated_bo_y_in_cv * bo_y_data.std(ddof=1) + bo_y_data.mean()
+                    bo_acc_cvs.append(accuracy_score(bo_y_data, estimated_bo_y_in_cv))
+                optimal_bo_kernel_number = np.where(bo_acc_cvs == np.max(bo_acc_cvs))[0][0]  # クロスバリデーション後の r2 が最も大きいカーネル関数の番号
+                optimal_bo_kernel = bo_kernels[optimal_bo_kernel_number]  # クロスバリデーション後の r2 が最も大きいカーネル関数
+                
+                # モデル構築
+                bo_model = GaussianProcessRegressor(alpha=0, kernel=optimal_bo_kernel, random_state=9) # GPR モデルの宣言
+                
+            bo_model.fit(autoscaled_bo_x_data, autoscaled_bo_y_data)  # モデルの学習
+            
+            # 予測
+            estimated_bo_y_prediction, estimated_bo_y_prediction_std = bo_model.predict(autoscaled_bo_x_prediction, return_std=True)
+            estimated_bo_y_prediction = estimated_bo_y_prediction * bo_y_data.std() + bo_y_data.mean()
+            estimated_bo_y_prediction_std = estimated_bo_y_prediction_std * bo_y_data.std()
+            
+            cumulative_variance = np.zeros(bo_x_prediction.shape[0])
+            # 獲得関数の計算
+            if acquisition_function == 'MI':
+                acquisition_function_prediction = estimated_bo_y_prediction + np.log(2 / delta) ** 0.5 * (
+                        (estimated_bo_y_prediction_std ** 2 + cumulative_variance) ** 0.5 - cumulative_variance ** 0.5)
+                cumulative_variance = cumulative_variance + estimated_bo_y_prediction_std ** 2
+            elif acquisition_function == 'EI':
+                acquisition_function_prediction = (estimated_bo_y_prediction - max(bo_y_data) - relaxation * bo_y_data.std()) * \
+                                                norm.cdf((estimated_bo_y_prediction - max(bo_y_data) - relaxation * bo_y_data.std()) /
+                                                            estimated_bo_y_prediction_std) + \
+                                                estimated_bo_y_prediction_std * \
+                                                norm.pdf((estimated_bo_y_prediction - max(bo_y_data) - relaxation * bo_y_data.std()) /
+                                                            estimated_bo_y_prediction_std)
+            elif acquisition_function == 'PI':
+                acquisition_function_prediction = norm.cdf(
+                        (estimated_bo_y_prediction - max(bo_y_data) - relaxation * bo_y_data.std()) / estimated_bo_y_prediction_std)
+            elif acquisition_function == 'PTR':
+                acquisition_function_prediction = norm.cdf(target_range[1],
+                                                        loc=estimated_bo_y_prediction,
+                                                        scale=estimated_bo_y_prediction_std
+                                                        ) - norm.cdf(target_range[0],
+                                                                        loc=estimated_bo_y_prediction,
+                                                                        scale=estimated_bo_y_prediction_std)
+            acquisition_function_prediction[estimated_bo_y_prediction_std <= 0] = 0
+            
+            # 保存
+            estimated_bo_y_prediction = pd.DataFrame(estimated_bo_y_prediction, bo_x_prediction.index, columns=['estimated_y'])
+            estimated_bo_y_prediction_std = pd.DataFrame(estimated_bo_y_prediction_std, bo_x_prediction.index, columns=['std_of_estimated_y'])
+            acquisition_function_prediction = pd.DataFrame(acquisition_function_prediction, index=bo_x_prediction.index, columns=['acquisition_function'])
+    #        
+            # 次のサンプル
+            next_samples = pd.concat([next_samples, bo_x_prediction.loc[acquisition_function_prediction.idxmax()]], axis=0)
+            
+            # x, y, x_prediction, cumulative_variance の更新
+            bo_x_data = pd.concat([bo_x_data, bo_x_prediction.loc[acquisition_function_prediction.idxmax()]], axis=0)
+            bo_y_data = pd.concat([bo_y_data, estimated_bo_y_prediction.loc[acquisition_function_prediction.idxmax()].iloc[0]], axis=0)
+            bo_x_prediction = bo_x_prediction.drop(acquisition_function_prediction.idxmax(), axis=0)
+            cumulative_variance = np.delete(cumulative_variance, np.where(acquisition_function_prediction.index == acquisition_function_prediction.iloc[:, 0].idxmax())[0][0])
+        next_samples_df = next_samples.copy()
+    
+    # 結果の保存
+    #params_with_score_df.sort_values('score', ascending=False).to_csv('params_with_score.csv')
+    params_with_score_df_best = params_with_score_df.sort_values('score', ascending=False).iloc[0, :] # r2が高い順にソート
+    best_acc_cv = params_with_score_df_best['score'].copy()
+#    print(best_r2cv)
+    best_candidate_combination = all_candidate_combinations_df.loc[params_with_score_df_best.name].copy()
+    
+    optimal_hidden_layer_sizes = hidden_layer_sizes_candidates[int(best_candidate_combination.iloc[0])]
+    optimal_activation = activation_candidates[int(best_candidate_combination.iloc[1])]
+    optimal_alpha = best_candidate_combination.iloc[2]
+    optimal_learning_rate_init = best_candidate_combination.iloc[3]
+       
+    return optimal_hidden_layer_sizes, optimal_activation, optimal_alpha, optimal_learning_rate_init
+
+
+def gs_dnn_hyperparams_class(x, y,
+                       hidden_layer_sizes_candidates=[(50,), (100,), (50, 10), (100, 10), (50, 50, 10), (100, 100, 10), (50, 50, 50, 10), (100, 100, 100, 10)],
+                       activation_candidates=['identity', 'logistic', 'tanh', 'relu'],
+                       alpha_candidates=10 ** np.arange(-6, -1, dtype=float),
+                       learning_rate_init_candidates=10 ** np.arange(-5, 0, dtype=float),
+                       parameter=5, bo_iteration_number=15, display_flag=False):
+    """
+    Grid search of scikit-learn[MLPClassifier]-based deep neural network (DNN) hyperparameters
+    
+    Optimize DNN hyperparameters based on Grid search and cross-validation
+
+    Parameters
+    ----------
+    x : numpy.array or pandas.DataFrame
+        (autoscaled) m x n matrix of X-variables of training data,
+        m is the number of training sammples and
+        n is the number of X-variables
+    y : numpy.array or pandas.DataFrame
+        (autoscaled) m x 1 vector of a Y-variable of training data
+    hidden_layer_sizes_candidates : list
+        vector of candidates of hidden_layer_sizes in MLPClassifier
+    activation_candidates : list
+        vector of candidates of activation in MLPClassifier
+    alpha_candidates : numpy.array or list
+        vector of candidates of alpha in MLPClassifier
+    learning_rate_init_candidates : numpy.array or list
+        vector of candidates of learning_rate_init in MLPClassifier    
+    parameter : int
+        "fold_number"-fold cross-validation in cross-validation, and k in midknn
+
+    Returns
+    -------
+    optimal_hidden_layer_sizes : tuple
+        optimized hidden_layer_sizes in MLPClassifier
+    optimal_activation : str
+        optimized activation in MLPClassifier
+    optimal_alpha : float
+        optimized alpha in MLPClassifier
+    optimal_learning_rate_init : float
+        optimized learning_rate_init in MLPClassifier
+    """
+        
+    x = np.array(x)
+    y = np.array(y)
+    cross_validation = StratifiedKFold(n_splits=parameter, random_state=9, shuffle=True)
+        
+    alpha_candidates = np.array(alpha_candidates)
+    learning_rate_init_candidates = np.array(learning_rate_init_candidates)
+
+    hidden_layer_sizes_indexes = [i for i in range(len(hidden_layer_sizes_candidates))]
+    activation_candidates_indexes = [i for i in range(len(activation_candidates))]
+    all_candidate_combinations = []
+    scores = []
+    number = 0
+    total_number = len(hidden_layer_sizes_indexes) * len(activation_candidates_indexes) * len(alpha_candidates) * len(learning_rate_init_candidates)
+    for hidden_layer_sizes_index in hidden_layer_sizes_indexes:
+        for activation_candidates_indexe in activation_candidates_indexes:
+            for alpha_candidate in alpha_candidates:
+                for learning_rate_init_candidate in learning_rate_init_candidates:
+                    if display_flag:
+                        number += 1
+                        print(number, '/', total_number)
+                    all_candidate_combinations.append([hidden_layer_sizes_index, activation_candidates_indexe, alpha_candidate, learning_rate_init_candidate])
+                    model = MLPClassifier(hidden_layer_sizes=hidden_layer_sizes_candidates[int(hidden_layer_sizes_index)],
+                                         activation=activation_candidates[int(activation_candidates_indexe)],
+                                         alpha=alpha_candidate,
+                                         learning_rate_init=learning_rate_init_candidate,
+                                         random_state=99)
+                    estimated_y = cross_val_predict(model, x, y, cv=cross_validation)
+                    scores.append(accuracy_score(y, estimated_y))
+    scores = np.array(scores)
+    best_index = np.where(scores == scores.max())[0][0]
+    all_candidate_combinations = np.array(all_candidate_combinations)
+    
+    optimal_hidden_layer_sizes = hidden_layer_sizes_candidates[int(all_candidate_combinations[best_index, 0])]
+    optimal_activation = activation_candidates[int(all_candidate_combinations[best_index, 1])]
+    optimal_alpha = all_candidate_combinations[best_index, 2]
+    optimal_learning_rate_init = all_candidate_combinations[best_index, 3]
+       
+    return optimal_hidden_layer_sizes, optimal_activation, optimal_alpha, optimal_learning_rate_init

{dcekit-2.13.4 → dcekit-2.14.1}/dcekit/variable_selection/local_interpretation.py

@@ -21,7 +21,7 @@ def lomp(
         
     lomp = np.zeros(x.shape)
     model_i = LinearRegression()
-    for sample_number in range(x.shape[1]):
+    for sample_number in range(x.shape[0]):
         if random_state:
             np.random.seed(random_state)
         x_upper = x[sample_number, :] + x_half_range

{dcekit-2.13.4 → dcekit-2.14.1/dcekit.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: dcekit
-Version: 2.13.4
+Version: 2.14.1
 Summary: Data Chemical Engineering toolkit
 Home-page: https://github.com/hkaneko1985/dcekit/
 Author: Hiromasa Kaneko

{dcekit-2.13.4 → dcekit-2.14.1}/dcekit.egg-info/SOURCES.txt

@@ -26,6 +26,7 @@ dcekit/optimization/__init__.py
 dcekit/optimization/fast_opt_svr_hyperparams.py
 dcekit/optimization/iot.py
 dcekit/optimization/opt_dnn_hyperparams.py
+dcekit/optimization/opt_dnn_hyperparams_class.py
 dcekit/sampling/__init__.py
 dcekit/sampling/kennard_stone.py
 dcekit/validation/__init__.py

{dcekit-2.13.4 → dcekit-2.14.1}/setup.py

@@ -13,7 +13,7 @@ with open('LICENSE.txt') as f:
 
 setup(
     name='dcekit',
-    version='2.13.4',
+    version='2.14.1',
     description='Data Chemical Engineering toolkit',
     long_description=readme,
     author='Hiromasa Kaneko',