py2ls 0.2.4.7__py3-none-any.whl → 0.2.4.8__py3-none-any.whl

py2ls/ml2ls.py

@@ -1,33 +1,59 @@
-from sklearn.ensemble import RandomForestClassifier, GradientBoostingClassifier, AdaBoostClassifier,BaggingClassifier
-from sklearn.svm import SVC
+from sklearn.ensemble import (
+    RandomForestClassifier,
+    GradientBoostingClassifier,
+    AdaBoostClassifier,
+    BaggingClassifier,
+)
+from sklearn.svm import SVC,SVR
 from sklearn.calibration import CalibratedClassifierCV
-from sklearn.model_selection import GridSearchCV,StratifiedKFold
-from sklearn.linear_model import LassoCV, LogisticRegression, Lasso, Ridge,RidgeClassifierCV, ElasticNet
+from sklearn.model_selection import GridSearchCV, StratifiedKFold
+from sklearn.linear_model import (
+    LassoCV,
+    LogisticRegression,LinearRegression,
+    Lasso,
+    Ridge,
+    RidgeClassifierCV,
+    ElasticNet,
+)
 from sklearn.feature_selection import RFE
 from sklearn.naive_bayes import GaussianNB
 from sklearn.discriminant_analysis import LinearDiscriminantAnalysis
 import xgboost as xgb  # Make sure you have xgboost installed
 
 from sklearn.model_selection import train_test_split, cross_val_score
-from sklearn.metrics import (accuracy_score, precision_score, recall_score, 
-                             f1_score, roc_auc_score, confusion_matrix,
-                             matthews_corrcoef,roc_curve,auc,
-                             balanced_accuracy_score,precision_recall_curve,average_precision_score)
+from sklearn.metrics import (
+    accuracy_score,
+    precision_score,
+    recall_score,
+    f1_score,
+    roc_auc_score,
+    confusion_matrix,
+    matthews_corrcoef,
+    roc_curve,
+    auc,
+    balanced_accuracy_score,
+    precision_recall_curve,
+    average_precision_score,
+)
 from imblearn.over_sampling import SMOTE
 from sklearn.pipeline import Pipeline
 from collections import defaultdict
-from sklearn.preprocessing import StandardScaler
-from typing import Dict, Any, Optional,List
+from sklearn.preprocessing import StandardScaler, OneHotEncoder
+from typing import Dict, Any, Optional, List, Union
 import numpy as np
 import pandas as pd
-from . import ips 
+from . import ips
 from . import plot
 import matplotlib.pyplot as plt
 import seaborn as sns
-plt.style.use("paper") 
+
+plt.style.use("paper")
 import logging
 import warnings
-logging.basicConfig(level=logging.INFO, format='%(asctime)s - %(levelname)s - %(message)s')
+
+logging.basicConfig(
+    level=logging.INFO, format="%(asctime)s - %(levelname)s - %(message)s"
+)
 logger = logging.getLogger()
 
 # Ignore specific warnings (UserWarning in this case)
@@ -35,7 +61,10 @@ warnings.filterwarnings("ignore", category=UserWarning)
 from sklearn.tree import DecisionTreeClassifier
 from sklearn.neighbors import KNeighborsClassifier
 
-def features_knn(X_train: pd.DataFrame, y_train: pd.Series, knn_params: dict) -> pd.DataFrame:
+
+def features_knn(
+    x_train: pd.DataFrame, y_train: pd.Series, knn_params: dict
+) -> pd.DataFrame:
     """
     A distance-based classifier that assigns labels based on the majority label of nearest neighbors.
     when to use:
@@ -46,76 +75,99 @@ def features_knn(X_train: pd.DataFrame, y_train: pd.Series, knn_params: dict) ->
     Fits KNeighborsClassifier and approximates feature influence using permutation importance.
     """
     knn = KNeighborsClassifier(**knn_params)
-    knn.fit(X_train, y_train)
-    importances = permutation_importance(knn, X_train, y_train, n_repeats=30, random_state=1, scoring="accuracy")
-    return pd.DataFrame({"feature": X_train.columns, "importance": importances.importances_mean}).sort_values(by="importance", ascending=False)
+    knn.fit(x_train, y_train)
+    importances = permutation_importance(
+        knn, x_train, y_train, n_repeats=30, random_state=1, scoring="accuracy"
+    )
+    return pd.DataFrame(
+        {"feature": x_train.columns, "importance": importances.importances_mean}
+    ).sort_values(by="importance", ascending=False)
+
 
 #! 1. Linear and Regularized Regression Methods
 # 1.1 Lasso
-def features_lasso(X_train: pd.DataFrame, y_train: pd.Series, lasso_params: dict) -> np.ndarray:
+def features_lasso(
+    x_train: pd.DataFrame, y_train: pd.Series, lasso_params: dict
+) -> np.ndarray:
     """
-    Lasso (Least Absolute Shrinkage and Selection Operator): 
-    A regularized linear regression method that uses L1 penalty to shrink coefficients, effectively 
+    Lasso (Least Absolute Shrinkage and Selection Operator):
+    A regularized linear regression method that uses L1 penalty to shrink coefficients, effectively
     performing feature selection by zeroing out less important ones.
     """
     lasso = LassoCV(**lasso_params)
-    lasso.fit(X_train, y_train)
+    lasso.fit(x_train, y_train)
     # Get non-zero coefficients and their corresponding features
     coefficients = lasso.coef_
-    importance_df = pd.DataFrame({
-        "feature": X_train.columns,
-        "importance": np.abs(coefficients)
-    }) 
-    return importance_df[importance_df["importance"] > 0].sort_values(by="importance", ascending=False)
+    importance_df = pd.DataFrame(
+        {"feature": x_train.columns, "importance": np.abs(coefficients)}
+    )
+    return importance_df[importance_df["importance"] > 0].sort_values(
+        by="importance", ascending=False
+    )
+
 
 # 1.2 Ridge regression
-def features_ridge(X_train: pd.DataFrame, y_train: pd.Series, ridge_params: dict) -> np.ndarray:
+def features_ridge(
+    x_train: pd.DataFrame, y_train: pd.Series, ridge_params: dict
+) -> np.ndarray:
     """
-    Ridge Regression: A linear regression technique that applies L2 regularization, reducing coefficient 
+    Ridge Regression: A linear regression technique that applies L2 regularization, reducing coefficient
     magnitudes to avoid overfitting, especially with multicollinearity among features.
     """
     from sklearn.linear_model import RidgeCV
+
     ridge = RidgeCV(**ridge_params)
-    ridge.fit(X_train, y_train)
-    
+    ridge.fit(x_train, y_train)
+
     # Get the coefficients
     coefficients = ridge.coef_
-    
+
     # Create a DataFrame to hold feature importance
-    importance_df = pd.DataFrame({
-        "feature": X_train.columns,
-        "importance": np.abs(coefficients)
-    }) 
-    return importance_df[importance_df["importance"] > 0].sort_values(by="importance", ascending=False)
+    importance_df = pd.DataFrame(
+        {"feature": x_train.columns, "importance": np.abs(coefficients)}
+    )
+    return importance_df[importance_df["importance"] > 0].sort_values(
+        by="importance", ascending=False
+    )
+
 
 # 1.3 Elastic Net(Enet)
-def features_enet(X_train: pd.DataFrame, y_train: pd.Series, enet_params: dict) -> np.ndarray:
+def features_enet(
+    x_train: pd.DataFrame, y_train: pd.Series, enet_params: dict
+) -> np.ndarray:
     """
-    Elastic Net (Enet): Combines L1 and L2 penalties (lasso and ridge) in a linear model, beneficial 
+    Elastic Net (Enet): Combines L1 and L2 penalties (lasso and ridge) in a linear model, beneficial
     when features are highly correlated or for datasets with more features than samples.
     """
     from sklearn.linear_model import ElasticNetCV
+
     enet = ElasticNetCV(**enet_params)
-    enet.fit(X_train, y_train)
+    enet.fit(x_train, y_train)
     # Get the coefficients
     coefficients = enet.coef_
     # Create a DataFrame to hold feature importance
-    importance_df = pd.DataFrame({
-        "feature": X_train.columns,
-        "importance": np.abs(coefficients)
-    })
-    return importance_df[importance_df["importance"] > 0].sort_values(by="importance", ascending=False)
-# 1.4 Partial Least Squares Regression for Generalized Linear Models (plsRglm): Combines regression and 
+    importance_df = pd.DataFrame(
+        {"feature": x_train.columns, "importance": np.abs(coefficients)}
+    )
+    return importance_df[importance_df["importance"] > 0].sort_values(
+        by="importance", ascending=False
+    )
+
+
+# 1.4 Partial Least Squares Regression for Generalized Linear Models (plsRglm): Combines regression and
 # feature reduction, useful for high-dimensional data with correlated features, such as genomics.
 
 #! 2.Generalized Linear Models and Extensions
-# 2.1 
+# 2.1
+
 
 #!3.Tree-Based and Ensemble Methods
 # 3.1 Random Forest(RF)
-def features_rf(X_train: pd.DataFrame, y_train: pd.Series, rf_params: dict) -> np.ndarray:
+def features_rf(
+    x_train: pd.DataFrame, y_train: pd.Series, rf_params: dict
+) -> np.ndarray:
     """
-    An ensemble of decision trees that combines predictions from multiple trees for classification or 
+    An ensemble of decision trees that combines predictions from multiple trees for classification or
     regression, effective with high-dimensional, complex datasets.
     when to use:
         Handles high-dimensional data well.
@@ -125,36 +177,55 @@ def features_rf(X_train: pd.DataFrame, y_train: pd.Series, rf_params: dict) -> n
     Recommended Use: Great for classification problems, especially when you have many features (genes).
     """
     rf = RandomForestClassifier(**rf_params)
-    rf.fit(X_train, y_train)
-    return pd.DataFrame({"feature": X_train.columns, "importance": rf.featuress_}).sort_values(by="importance", ascending=False)
+    rf.fit(x_train, y_train)
+    return pd.DataFrame(
+        {"feature": x_train.columns, "importance": rf.featuress_}
+    ).sort_values(by="importance", ascending=False)
+
+
 # 3.2 Gradient Boosting Trees
-def features_gradient_boosting(X_train: pd.DataFrame, y_train: pd.Series, gb_params: dict) -> pd.DataFrame:
+def features_gradient_boosting(
+    x_train: pd.DataFrame, y_train: pd.Series, gb_params: dict
+) -> pd.DataFrame:
     """
-    An ensemble of decision trees that combines predictions from multiple trees for classification or regression, effective with 
+    An ensemble of decision trees that combines predictions from multiple trees for classification or regression, effective with
     high-dimensional, complex datasets.
     Gradient Boosting
     Strengths:
         High predictive accuracy and works well for both classification and regression.
         Can handle a mixture of numerical and categorical features.
-    Recommended Use: 
+    Recommended Use:
         Effective for complex relationships and when you need a powerful predictive model.
     Fit Gradient Boosting classifier and return sorted feature importances.
     Recommended Use: Effective for complex datasets with many features (genes).
     """
     gb = GradientBoostingClassifier(**gb_params)
-    gb.fit(X_train, y_train)
-    return pd.DataFrame({"feature": X_train.columns, "importance": gb.feature_importances_}).sort_values(by="importance", ascending=False)
+    gb.fit(x_train, y_train)
+    return pd.DataFrame(
+        {"feature": x_train.columns, "importance": gb.feature_importances_}
+    ).sort_values(by="importance", ascending=False)
+
+
 # 3.3 XGBoost
-def features_xgb(X_train: pd.DataFrame, y_train: pd.Series, xgb_params: dict) -> pd.DataFrame:
+def features_xgb(
+    x_train: pd.DataFrame, y_train: pd.Series, xgb_params: dict
+) -> pd.DataFrame:
     """
     XGBoost: An advanced gradient boosting technique, faster and more efficient than GBM, with excellent predictive performance on structured data.
     """
     import xgboost as xgb
+
     xgb_model = xgb.XGBClassifier(**xgb_params)
-    xgb_model.fit(X_train, y_train)
-    return pd.DataFrame({"feature": X_train.columns, "importance": xgb_model.feature_importances_}).sort_values(by="importance", ascending=False)
+    xgb_model.fit(x_train, y_train)
+    return pd.DataFrame(
+        {"feature": x_train.columns, "importance": xgb_model.feature_importances_}
+    ).sort_values(by="importance", ascending=False)
+
+
 # 3.4.decision tree
-def features_decision_tree(X_train: pd.DataFrame, y_train: pd.Series, dt_params: dict) -> pd.DataFrame:
+def features_decision_tree(
+    x_train: pd.DataFrame, y_train: pd.Series, dt_params: dict
+) -> pd.DataFrame:
     """
     A single decision tree classifier effective for identifying key decision boundaries in data.
     when to use:
@@ -162,58 +233,76 @@ def features_decision_tree(X_train: pd.DataFrame, y_train: pd.Series, dt_params:
         Provides feature importance scores for each feature, though it may overfit on small datasets.
         Efficient for low to medium-sized datasets, where interpretability of decisions is key.
     Recommended Use: Useful for interpretable feature importance analysis in smaller or balanced datasets.
-    
+
     Fits DecisionTreeClassifier and returns sorted feature importances.
     """
     dt = DecisionTreeClassifier(**dt_params)
-    dt.fit(X_train, y_train)
-    return pd.DataFrame({"feature": X_train.columns, "importance": dt.feature_importances_}).sort_values(by="importance", ascending=False)
+    dt.fit(x_train, y_train)
+    return pd.DataFrame(
+        {"feature": x_train.columns, "importance": dt.feature_importances_}
+    ).sort_values(by="importance", ascending=False)
+
+
 # 3.5 bagging
-def features_bagging(X_train: pd.DataFrame, y_train: pd.Series, bagging_params: dict) -> pd.DataFrame:
+def features_bagging(
+    x_train: pd.DataFrame, y_train: pd.Series, bagging_params: dict
+) -> pd.DataFrame:
     """
-    A bagging ensemble of classifiers, often used with weak learners like decision trees, to reduce variance.
+    A bagging ensemble of models, often used with weak learners like decision trees, to reduce variance.
     when to use:
         Helps reduce overfitting, especially on high-variance models.
         Effective when the dataset has numerous features and may benefit from ensemble stability.
     Recommended Use: Beneficial for high-dimensional or noisy datasets needing ensemble stability.
-    
+
     Fits BaggingClassifier and returns averaged feature importances from underlying estimators if available.
     """
     bagging = BaggingClassifier(**bagging_params)
-    bagging.fit(X_train, y_train)
-    
+    bagging.fit(x_train, y_train)
+
     # Calculate feature importance by averaging importances across estimators, if feature_importances_ is available.
     if hasattr(bagging.estimators_[0], "feature_importances_"):
-        importances = np.mean([estimator.feature_importances_ for estimator in bagging.estimators_], axis=0)
-        return pd.DataFrame({"feature": X_train.columns, "importance": importances}).sort_values(by="importance", ascending=False)
+        importances = np.mean(
+            [estimator.feature_importances_ for estimator in bagging.estimators_],
+            axis=0,
+        )
+        return pd.DataFrame(
+            {"feature": x_train.columns, "importance": importances}
+        ).sort_values(by="importance", ascending=False)
     else:
         # If the base estimator does not support feature importances, fallback to permutation importance.
-        importances = permutation_importance(bagging, X_train, y_train, n_repeats=30, random_state=1, scoring="accuracy")
-        return pd.DataFrame({"feature": X_train.columns, "importance": importances.importances_mean}).sort_values(by="importance", ascending=False)
+        importances = permutation_importance(
+            bagging, x_train, y_train, n_repeats=30, random_state=1, scoring="accuracy"
+        )
+        return pd.DataFrame(
+            {"feature": x_train.columns, "importance": importances.importances_mean}
+        ).sort_values(by="importance", ascending=False)
+
 
 #! 4.Support Vector Machines
-def features_svm(X_train: pd.DataFrame, y_train: pd.Series, rfe_params: dict) -> np.ndarray:
+def features_svm(
+    x_train: pd.DataFrame, y_train: pd.Series, rfe_params: dict
+) -> np.ndarray:
     """
     Suitable for classification tasks where the number of features is much larger than the number of samples.
         1. Effective in high-dimensional spaces and with clear margin of separation.
         2. Works well for both linear and non-linear classification (using kernel functions).
-    Select features using RFE with SVM.When combined with SVM, RFE selects features that are most critical for the decision boundary, 
+    Select features using RFE with SVM.When combined with SVM, RFE selects features that are most critical for the decision boundary,
         helping reduce the dataset to a more manageable size without losing much predictive power.
-    SVM (Support Vector Machines),supports various kernels (linear, rbf, poly, and sigmoid), is good at handling high-dimensional 
+    SVM (Support Vector Machines),supports various kernels (linear, rbf, poly, and sigmoid), is good at handling high-dimensional
         data and finding an optimal decision boundary between classes, especially when using the right kernel.
     kernel: ["linear", "rbf", "poly", "sigmoid"]
-        'linear': simplest kernel that attempts to separate data by drawing a straight line (or hyperplane) between classes. It is effective 
+        'linear': simplest kernel that attempts to separate data by drawing a straight line (or hyperplane) between classes. It is effective
             when the data is linearly separable, meaning the classes can be well divided by a straight boundary.
                 Advantages:
                     - Computationally efficient for large datasets.
-                    - Works well when the number of features is high, which is common in genomic data where you may have thousands of genes 
+                    - Works well when the number of features is high, which is common in genomic data where you may have thousands of genes
                         as features.
-        'rbf':  a nonlinear kernel that maps the input data into a higher-dimensional space to find a decision boundary. It works well for 
+        'rbf':  a nonlinear kernel that maps the input data into a higher-dimensional space to find a decision boundary. It works well for
             data that is not linearly separable in its original space.
-                Advantages: 
+                Advantages:
                     - Handles nonlinear relationships between features and classes
                     - Often better than a linear kernel when there is no clear linear decision boundary in the data.
-        'poly': Polynomial Kernel: computes similarity between data points based on polynomial functions of the input features. It can model 
+        'poly': Polynomial Kernel: computes similarity between data points based on polynomial functions of the input features. It can model
             interactions between features to a certain degree, depending on the polynomial degree chosen.
                 Advantages:
                     - Allows modeling of feature interactions.
@@ -221,58 +310,80 @@ def features_svm(X_train: pd.DataFrame, y_train: pd.Series, rfe_params: dict) ->
         'sigmoid':  similar to the activation function in neural networks, and it works well when the data follows an S-shaped decision boundary.
                 Advantages:
                 - Can approximate the behavior of neural networks.
-                - Use case: It’s not as widely used as the RBF or linear kernel but can be explored when there is some evidence of non-linear 
+                - Use case: It’s not as widely used as the RBF or linear kernel but can be explored when there is some evidence of non-linear
                     S-shaped relationships.
     """
     # SVM (Support Vector Machines)
-    svc = SVC(kernel=rfe_params["kernel"]) # ["linear", "rbf", "poly", "sigmoid"]
+    svc = SVC(kernel=rfe_params["kernel"])  # ["linear", "rbf", "poly", "sigmoid"]
     # RFE(Recursive Feature Elimination)
     selector = RFE(svc, n_features_to_select=rfe_params["n_features_to_select"])
-    selector.fit(X_train, y_train)
-    return X_train.columns[selector.support_]
+    selector.fit(x_train, y_train)
+    return x_train.columns[selector.support_]
+
+
 #! 5.Bayesian and Probabilistic Methods
-def features_naive_bayes(X_train: pd.DataFrame, y_train: pd.Series) -> list:
+def features_naive_bayes(x_train: pd.DataFrame, y_train: pd.Series) -> list:
     """
-    Naive Bayes: A probabilistic classifier based on Bayes' theorem, assuming independence between features, simple and fast, especially 
+    Naive Bayes: A probabilistic classifier based on Bayes' theorem, assuming independence between features, simple and fast, especially
     effective for text classification and other high-dimensional data.
     """
     from sklearn.naive_bayes import GaussianNB
+
     nb = GaussianNB()
-    nb.fit(X_train, y_train)
-    probabilities = nb.predict_proba(X_train)
-    return X_train.columns[np.argsort(probabilities.max(axis=1))[:X_train.shape[1] // 2]]
+    nb.fit(x_train, y_train)
+    probabilities = nb.predict_proba(x_train)
+    # Limit the number of features safely, choosing the lesser of half the features or all columns
+    n_features = min(x_train.shape[1] // 2, len(x_train.columns))
+    
+    # Sort probabilities, then map to valid column indices
+    sorted_indices = np.argsort(probabilities.max(axis=1))[:n_features]
+    
+    # Ensure indices are within the column bounds of x_train
+    valid_indices = sorted_indices[sorted_indices < len(x_train.columns)]
+    
+    return x_train.columns[valid_indices]
+
+
 #! 6.Linear Discriminant Analysis (LDA)
-def features_lda(X_train: pd.DataFrame, y_train: pd.Series) -> list:
+def features_lda(x_train: pd.DataFrame, y_train: pd.Series) -> list:
     """
-    Linear Discriminant Analysis (LDA): Projects data onto a lower-dimensional space to maximize class separability, often used as a dimensionality 
+    Linear Discriminant Analysis (LDA): Projects data onto a lower-dimensional space to maximize class separability, often used as a dimensionality
     reduction technique before classification on high-dimensional data.
     """
     from sklearn.discriminant_analysis import LinearDiscriminantAnalysis
+
     lda = LinearDiscriminantAnalysis()
-    lda.fit(X_train, y_train)
+    lda.fit(x_train, y_train)
     coef = lda.coef_.flatten()
     # Create a DataFrame to hold feature importance
-    importance_df = pd.DataFrame({
-        "feature": X_train.columns,
-        "importance": np.abs(coef)
-    }) 
-    
-    return importance_df[importance_df["importance"] > 0].sort_values(by="importance", ascending=False)
+    importance_df = pd.DataFrame(
+        {"feature": x_train.columns, "importance": np.abs(coef)}
+    )
 
-def features_adaboost(X_train: pd.DataFrame, y_train: pd.Series, adaboost_params: dict) -> pd.DataFrame:
+    return importance_df[importance_df["importance"] > 0].sort_values(
+        by="importance", ascending=False
+    )
+
+
+def features_adaboost(
+    x_train: pd.DataFrame, y_train: pd.Series, adaboost_params: dict
+) -> pd.DataFrame:
     """
     AdaBoost
     Strengths:
         Combines multiple weak learners to create a strong classifier.
         Focuses on examples that are hard to classify, improving overall performance.
-    Recommended Use: 
-        Can be effective for boosting weak classifiers in a genomics context.
+    Recommended Use:
+        Can be effective for boosting weak models in a genomics context.
     Fit AdaBoost classifier and return sorted feature importances.
     Recommended Use: Great for classification problems with a large number of features (genes).
     """
     ada = AdaBoostClassifier(**adaboost_params)
-    ada.fit(X_train, y_train)
-    return pd.DataFrame({"feature": X_train.columns, "importance": ada.feature_importances_}).sort_values(by="importance", ascending=False)
+    ada.fit(x_train, y_train)
+    return pd.DataFrame(
+        {"feature": x_train.columns, "importance": ada.feature_importances_}
+    ).sort_values(by="importance", ascending=False)
+
 
 import torch
 import torch.nn as nn
@@ -280,32 +391,30 @@ import torch.optim as optim
 from torch.utils.data import DataLoader, TensorDataset
 from skorch import NeuralNetClassifier  # sklearn compatible
 
+
 class DNNClassifier(nn.Module):
     def __init__(self, input_dim, hidden_dim=128, output_dim=2, dropout_rate=0.5):
         super(DNNClassifier, self).__init__()
-        
+
         self.hidden_layer1 = nn.Sequential(
             nn.Linear(input_dim, hidden_dim),
             nn.ReLU(),
             nn.Dropout(dropout_rate),
             nn.Linear(hidden_dim, hidden_dim),
-            nn.ReLU()
+            nn.ReLU(),
         )
-        
+
         self.hidden_layer2 = nn.Sequential(
-            nn.Linear(hidden_dim, hidden_dim),
-            nn.ReLU(),
-            nn.Dropout(dropout_rate)
+            nn.Linear(hidden_dim, hidden_dim), nn.ReLU(), nn.Dropout(dropout_rate)
         )
-        
+
         # Adding a residual connection between hidden layers
         self.residual = nn.Linear(input_dim, hidden_dim)
-        
+
         self.output_layer = nn.Sequential(
-            nn.Linear(hidden_dim, output_dim),
-            nn.Softmax(dim=1)
+            nn.Linear(hidden_dim, output_dim), nn.Softmax(dim=1)
         )
-        
+
     def forward(self, x):
         residual = self.residual(x)
         x = self.hidden_layer1(x)
@@ -314,64 +423,77 @@ class DNNClassifier(nn.Module):
         x = self.output_layer(x)
         return x
 
-def validate_classifier(clf, X_train: pd.DataFrame, y_train: pd.Series, X_test: pd.DataFrame, y_test: pd.Series, metrics: list=["accuracy", "precision", "recall", "f1", "roc_auc"] , cv_folds: int=5) -> dict:
+
+def validate_classifier(
+    clf,
+    x_train: pd.DataFrame,
+    y_train: pd.Series,
+    x_test: pd.DataFrame,
+    y_test: pd.Series,
+    metrics: list = ["accuracy", "precision", "recall", "f1", "roc_auc"],
+    cv_folds: int = 5,
+) -> dict:
     """
     Perform cross-validation for a given classifier and return average scores for specified metrics on training data.
     Then fit the best model on the full training data and evaluate it on the test set.
-    
+
     Parameters:
     - clf: The classifier to be validated.
-    - X_train: Training features.
+    - x_train: Training features.
     - y_train: Training labels.
-    - X_test: Test features.
+    - x_test: Test features.
     - y_test: Test labels.
     - metrics: List of metrics to evaluate (e.g., ['accuracy', 'roc_auc']).
     - cv_folds: Number of cross-validation folds.
-    
+
     Returns:
     - results: Dictionary containing average cv_train_scores and cv_test_scores.
     """
     cv_train_scores = {metric: [] for metric in metrics}
     skf = StratifiedKFold(n_splits=cv_folds)
-    # Perform cross-validation 
+    # Perform cross-validation
     for metric in metrics:
         try:
             if metric == "roc_auc" and len(set(y_train)) == 2:
-                scores = cross_val_score(clf, X_train, y_train, cv=skf, scoring="roc_auc")
-                cv_train_scores[metric] = np.nanmean(scores) if not np.isnan(scores).all() else float('nan')
+                scores = cross_val_score(
+                    clf, x_train, y_train, cv=skf, scoring="roc_auc"
+                )
+                cv_train_scores[metric] = (
+                    np.nanmean(scores) if not np.isnan(scores).all() else float("nan")
+                )
             else:
-                score = cross_val_score(clf, X_train, y_train, cv=skf, scoring=metric)
+                score = cross_val_score(clf, x_train, y_train, cv=skf, scoring=metric)
                 cv_train_scores[metric] = score.mean()
         except Exception as e:
-            cv_train_scores[metric] = float('nan')
-    clf.fit(X_train, y_train)
-    
+            cv_train_scores[metric] = float("nan")
+    clf.fit(x_train, y_train)
+
     # Evaluate on the test set
     cv_test_scores = {}
     for metric in metrics:
         if metric == "roc_auc" and len(set(y_test)) == 2:
             try:
-                y_prob=clf.predict_proba(X_test)[:, 1]
-                cv_test_scores[metric] = roc_auc_score(y_test,y_prob)
+                y_prob = clf.predict_proba(x_test)[:, 1]
+                cv_test_scores[metric] = roc_auc_score(y_test, y_prob)
             except AttributeError:
-                cv_test_scores[metric]=float('nan')
+                cv_test_scores[metric] = float("nan")
         else:
-            score_func = globals().get(f'{metric}_score')  # Fetching the appropriate scoring function
+            score_func = globals().get(
+                f"{metric}_score"
+            )  # Fetching the appropriate scoring function
             if score_func:
                 try:
-                    y_pred = clf.predict(X_test)
+                    y_pred = clf.predict(x_test)
                     cv_test_scores[metric] = score_func(y_test, y_pred)
                 except Exception as e:
-                    cv_test_scores[metric] = float('nan')
+                    cv_test_scores[metric] = float("nan")
 
     # Combine results
-    results = {
-        'cv_train_scores': cv_train_scores,
-        'cv_test_scores': cv_test_scores
-    }
+    results = {"cv_train_scores": cv_train_scores, "cv_test_scores": cv_test_scores}
     return results
 
-def get_classifiers(
+
+def get_models(
     random_state=1,
     cls=[
         "lasso",
@@ -383,25 +505,36 @@ def get_classifiers(
         "Support Vector Machine(svm)",
         "naive bayes",
         "Linear Discriminant Analysis (lda)",
-        "adaboost","DecisionTree","KNeighbors","Bagging"
+        "adaboost",
+        "DecisionTree",
+        "KNeighbors",
+        "Bagging",
     ],
 ):
     from sklearn.ensemble import (
         RandomForestClassifier,
         GradientBoostingClassifier,
         AdaBoostClassifier,
-        BaggingClassifier
+        BaggingClassifier,
     )
     from sklearn.svm import SVC
-    from sklearn.linear_model import LogisticRegression, Lasso, RidgeClassifierCV, ElasticNet
+    from sklearn.linear_model import (
+        LogisticRegression,
+        Lasso,
+        RidgeClassifierCV,
+        ElasticNet,
+    )
     from sklearn.naive_bayes import GaussianNB
     from sklearn.discriminant_analysis import LinearDiscriminantAnalysis
     import xgboost as xgb
     from sklearn.tree import DecisionTreeClassifier
     from sklearn.neighbors import KNeighborsClassifier
+
     res_cls = {}
-    classifiers_all = {
-        "Lasso": LogisticRegression(penalty='l1', solver='saga', random_state=random_state),
+    model_all = {
+        "Lasso": LogisticRegression(
+            penalty="l1", solver="saga", random_state=random_state
+        ),
         "Ridge": RidgeClassifierCV(),
         "Elastic Net (Enet)": ElasticNet(random_state=random_state),
         "Gradient Boosting": GradientBoostingClassifier(random_state=random_state),
@@ -411,23 +544,25 @@ def get_classifiers(
         "Naive Bayes": GaussianNB(),
         "Linear Discriminant Analysis (LDA)": LinearDiscriminantAnalysis(),
         "AdaBoost": AdaBoostClassifier(random_state=random_state, algorithm="SAMME"),
-        "DecisionTree":DecisionTreeClassifier(),
+        "DecisionTree": DecisionTreeClassifier(),
         "KNeighbors": KNeighborsClassifier(n_neighbors=5),
         "Bagging": BaggingClassifier(),
     }
-    print("Using default classifiers:")
+    print("Using default models:")
     for cls_name in cls:
-        cls_name = ips.strcmp(cls_name, list(classifiers_all.keys()))[0]
-        res_cls[cls_name] = classifiers_all[cls_name]
+        cls_name = ips.strcmp(cls_name, list(model_all.keys()))[0]
+        res_cls[cls_name] = model_all[cls_name]
         print(f"- {cls_name}")
     return res_cls
 
+
 def get_features(
-    X: pd.DataFrame,
-    y: pd.Series,
+    X: Union[pd.DataFrame, np.ndarray],  # n_samples X n_features
+    y: Union[pd.Series, np.ndarray, list],  # n_samples X n_features
     test_size: float = 0.2,
     random_state: int = 1,
     n_features: int = 10,
+    fill_missing=True,
     rf_params: Optional[Dict] = None,
     rfe_params: Optional[Dict] = None,
     lasso_params: Optional[Dict] = None,
@@ -439,167 +574,327 @@ def get_features(
     dt_params: Optional[Dict] = None,
     bagging_params: Optional[Dict] = None,
     knn_params: Optional[Dict] = None,
-    cls: list=[
-        "lasso",
-        "ridge",
-        "Elastic Net(Enet)",
-        "gradient Boosting",
-        "Random forest (rf)",
-        "XGBoost (xgb)",
-        "Support Vector Machine(svm)",
-        "naive bayes",
-        "Linear Discriminant Analysis (lda)",
-        "adaboost","DecisionTree","KNeighbors","Bagging"
-    ],
+    cls: list = [
+        "lasso","ridge","Elastic Net(Enet)","gradient Boosting","Random forest (rf)","XGBoost (xgb)","Support Vector Machine(svm)",
+        "naive bayes","Linear Discriminant Analysis (lda)","adaboost","DecisionTree","KNeighbors","Bagging"],
     metrics: Optional[List[str]] = None,
     cv_folds: int = 5,
-    strict:bool=False,
-    n_shared:int=2, # 只要有两个方法有重合,就纳入common genes
+    strict: bool = False,
+    n_shared: int = 2,  # 只要有两个方法有重合,就纳入common genes
     use_selected_features: bool = True,
 ) -> dict:
     """
-    Master function to perform feature selection and validate classifiers.
+    Master function to perform feature selection and validate models.
     """
+    from sklearn.compose import ColumnTransformer
+    from sklearn.preprocessing import StandardScaler, OneHotEncoder
+
+    # Ensure X and y are DataFrames/Series for consistency
+    if isinstance(X, np.ndarray):
+        X = pd.DataFrame(X)
+    if isinstance(y, (np.ndarray, list)):
+        y = pd.Series(y)
+
+    # fill na
+    if fill_missing:
+        ips.df_fillna(data=X,method='knn',inplace=True,axis=0)
+
+    # rm missing values
+    X.dropna(inplace=True)
+    y.dropna(inplace=True)
+    y = y.loc[X.index]  # Align y with X after dropping rows with missing values in X
+
+    if X.shape[0] != len(y):
+        raise ValueError("X and y must have the same number of samples (rows).")
+
+    # #! # Check for non-numeric columns in X and apply one-hot encoding if needed
+    # Check if any column in X is non-numeric
+    if any(not np.issubdtype(dtype, np.number) for dtype in X.dtypes):
+        X = pd.get_dummies(X, drop_first=True)
+    print(X.shape)
+
+    # #!alternative:  # Identify categorical and numerical columns
+    # categorical_cols = X.select_dtypes(include=["object", "category"]).columns
+    # numerical_cols = X.select_dtypes(include=["number"]).columns
+
+    # # Define preprocessing pipeline
+    # preprocessor = ColumnTransformer(
+    #     transformers=[
+    #         ("num", StandardScaler(), numerical_cols),
+    #         ("cat", OneHotEncoder(drop="first", handle_unknown="ignore"), categorical_cols),
+    #     ]
+    # )
+    # # Preprocess the data
+    # X = preprocessor.fit_transform(X)
+
     # Split data into training and test sets
-    X_train, X_test, y_train, y_test = train_test_split(
+    x_train, x_test, y_train, y_test = train_test_split(
         X, y, test_size=test_size, random_state=random_state
     )
     # Standardize features
     scaler = StandardScaler()
-    X_train_scaled = scaler.fit_transform(X_train)
-    X_test_scaled = scaler.transform(X_test)
-    
+    x_train_scaled = scaler.fit_transform(x_train)
+    x_test_scaled = scaler.transform(x_test)
+
     # Convert back to DataFrame for consistency
-    X_train = pd.DataFrame(X_train_scaled, columns=X_train.columns)
-    X_test = pd.DataFrame(X_test_scaled, columns=X_test.columns)
+    x_train = pd.DataFrame(x_train_scaled, columns=x_train.columns)
+    x_test = pd.DataFrame(x_test_scaled, columns=x_test.columns)
 
     rf_defaults = {"n_estimators": 100, "random_state": random_state}
     rfe_defaults = {"kernel": "linear", "n_features_to_select": n_features}
     lasso_defaults = {"alphas": np.logspace(-4, 4, 100), "cv": 10}
     ridge_defaults = {"alphas": np.logspace(-4, 4, 100), "cv": 10}
     enet_defaults = {"alphas": np.logspace(-4, 4, 100), "cv": 10}
-    xgb_defaults = {"n_estimators": 100, "use_label_encoder": False, "eval_metric": "logloss", "random_state": random_state}
+    xgb_defaults = {
+        "n_estimators": 100,
+        "use_label_encoder": False,
+        "eval_metric": "logloss",
+        "random_state": random_state,
+    }
     gb_defaults = {"n_estimators": 100, "random_state": random_state}
     adaboost_defaults = {"n_estimators": 50, "random_state": random_state}
     dt_defaults = {"max_depth": None, "random_state": random_state}
     bagging_defaults = {"n_estimators": 50, "random_state": random_state}
     knn_defaults = {"n_neighbors": 5}
     rf_params, rfe_params = rf_params or rf_defaults, rfe_params or rfe_defaults
-    lasso_params, ridge_params = lasso_params or lasso_defaults, ridge_params or ridge_defaults
+    lasso_params, ridge_params = (
+        lasso_params or lasso_defaults,
+        ridge_params or ridge_defaults,
+    )
     enet_params, xgb_params = enet_params or enet_defaults, xgb_params or xgb_defaults
-    gb_params, adaboost_params = gb_params or gb_defaults, adaboost_params or adaboost_defaults
+    gb_params, adaboost_params = (
+        gb_params or gb_defaults,
+        adaboost_params or adaboost_defaults,
+    )
     dt_params = dt_params or dt_defaults
     bagging_params = bagging_params or bagging_defaults
     knn_params = knn_params or knn_defaults
 
-    cls_  = ["lasso",'ridge','Elastic Net(Enet)',"Gradient Boosting","Random Forest (rf)",
-             'XGBoost (xgb)','Support Vector Machine(svm)','Naive Bayes','Linear Discriminant Analysis (lda)','adaboost']
-    cls=[ips.strcmp(i,cls_)[0] for i in cls]
+    cls_ = [
+        "lasso",
+        "ridge",
+        "Elastic Net(Enet)",
+        "Gradient Boosting",
+        "Random Forest (rf)",
+        "XGBoost (xgb)",
+        "Support Vector Machine(svm)",
+        "Naive Bayes",
+        "Linear Discriminant Analysis (lda)",
+        "adaboost",
+    ]
+    cls = [ips.strcmp(i, cls_)[0] for i in cls]
 
     # Lasso Feature Selection
-    lasso_importances = features_lasso(X_train, y_train, lasso_params) if 'lasso'in cls else pd.DataFrame()
-    lasso_selected_features= lasso_importances.head(n_features)["feature"].values if 'lasso'in cls else []
-    # Ridge 
-    ridge_importances=features_ridge(X_train, y_train,ridge_params) if 'ridge'in cls else pd.DataFrame()
-    selected_ridge_features= ridge_importances.head(n_features)["feature"].values if 'ridge'in cls else []
+    lasso_importances = (
+        features_lasso(x_train, y_train, lasso_params)
+        if "lasso" in cls
+        else pd.DataFrame()
+    )
+    lasso_selected_features = (
+        lasso_importances.head(n_features)["feature"].values if "lasso" in cls else []
+    )
+    # Ridge
+    ridge_importances = (
+        features_ridge(x_train, y_train, ridge_params)
+        if "ridge" in cls
+        else pd.DataFrame()
+    )
+    selected_ridge_features = (
+        ridge_importances.head(n_features)["feature"].values if "ridge" in cls else []
+    )
     # Elastic Net
-    enet_importances=features_enet(X_train, y_train,enet_params) if 'Enet'in cls else pd.DataFrame()
-    selected_enet_features= enet_importances.head(n_features)["feature"].values if 'Enet'in cls else []
-    # Random Forest Feature Importance 
-    rf_importances = features_rf(X_train, y_train, rf_params)  if 'Random Forest'in cls else pd.DataFrame()
-    top_rf_features = rf_importances.head(n_features)["feature"].values if 'Random Forest'in cls else []
-    # Gradient Boosting Feature Importance 
-    gb_importances = features_gradient_boosting(X_train, y_train, gb_params) if 'Gradient Boosting'in cls else pd.DataFrame()
-    top_gb_features = gb_importances.head(n_features)["feature"].values if 'Gradient Boosting'in cls else []
+    enet_importances = (
+        features_enet(x_train, y_train, enet_params)
+        if "Enet" in cls
+        else pd.DataFrame()
+    )
+    selected_enet_features = (
+        enet_importances.head(n_features)["feature"].values if "Enet" in cls else []
+    )
+    # Random Forest Feature Importance
+    rf_importances = (
+        features_rf(x_train, y_train, rf_params)
+        if "Random Forest" in cls
+        else pd.DataFrame()
+    )
+    top_rf_features = (
+        rf_importances.head(n_features)["feature"].values
+        if "Random Forest" in cls
+        else []
+    )
+    # Gradient Boosting Feature Importance
+    gb_importances = (
+        features_gradient_boosting(x_train, y_train, gb_params)
+        if "Gradient Boosting" in cls
+        else pd.DataFrame()
+    )
+    top_gb_features = (
+        gb_importances.head(n_features)["feature"].values
+        if "Gradient Boosting" in cls
+        else []
+    )
     # xgb
-    xgb_importances = features_xgb(X_train, y_train,xgb_params) if 'xgb'in cls else pd.DataFrame()
-    top_xgb_features = xgb_importances.head(n_features)["feature"].values if 'xgb'in cls else []
-    
-    # SVM with RFE 
-    selected_svm_features = features_svm(X_train, y_train, rfe_params) if 'svm'in cls else []
+    xgb_importances = (
+        features_xgb(x_train, y_train, xgb_params) if "xgb" in cls else pd.DataFrame()
+    )
+    top_xgb_features = (
+        xgb_importances.head(n_features)["feature"].values if "xgb" in cls else []
+    )
+
+    # SVM with RFE
+    selected_svm_features = (
+        features_svm(x_train, y_train, rfe_params) if "svm" in cls else []
+    )
     # Naive Bayes
-    selected_naive_bayes_features=features_naive_bayes(X_train, y_train) if 'Naive Bayes'in cls else []
+    selected_naive_bayes_features = (
+        features_naive_bayes(x_train, y_train) if "Naive Bayes" in cls else []
+    )
     # lda: linear discriminant analysis
-    lda_importances=features_lda(X_train, y_train) if 'lda'in cls else pd.DataFrame()
-    selected_lda_features= lda_importances.head(n_features)["feature"].values if 'lda'in cls else []
-    # AdaBoost Feature Importance 
-    adaboost_importances = features_adaboost(X_train, y_train, adaboost_params) if 'AdaBoost'in cls else pd.DataFrame()
-    top_adaboost_features = adaboost_importances.head(n_features)["feature"].values if 'AdaBoost'in cls else []
+    lda_importances = features_lda(x_train, y_train) if "lda" in cls else pd.DataFrame()
+    selected_lda_features = (
+        lda_importances.head(n_features)["feature"].values if "lda" in cls else []
+    )
+    # AdaBoost Feature Importance
+    adaboost_importances = (
+        features_adaboost(x_train, y_train, adaboost_params)
+        if "AdaBoost" in cls
+        else pd.DataFrame()
+    )
+    top_adaboost_features = (
+        adaboost_importances.head(n_features)["feature"].values
+        if "AdaBoost" in cls
+        else []
+    )
     # Decision Tree Feature Importance
-    dt_importances = features_decision_tree(X_train, y_train, dt_params) if 'Decision Tree' in cls else pd.DataFrame()
-    top_dt_features = dt_importances.head(n_features)["feature"].values if 'Decision Tree' in cls else []
+    dt_importances = (
+        features_decision_tree(x_train, y_train, dt_params)
+        if "Decision Tree" in cls
+        else pd.DataFrame()
+    )
+    top_dt_features = (
+        dt_importances.head(n_features)["feature"].values
+        if "Decision Tree" in cls
+        else []
+    )
     # Bagging Feature Importance
-    bagging_importances = features_bagging(X_train, y_train, bagging_params) if 'Bagging' in cls else pd.DataFrame()
-    top_bagging_features = bagging_importances.head(n_features)["feature"].values if 'Bagging' in cls else []
+    bagging_importances = (
+        features_bagging(x_train, y_train, bagging_params)
+        if "Bagging" in cls
+        else pd.DataFrame()
+    )
+    top_bagging_features = (
+        bagging_importances.head(n_features)["feature"].values
+        if "Bagging" in cls
+        else []
+    )
     # KNN Feature Importance via Permutation
-    knn_importances = features_knn(X_train, y_train, knn_params) if 'KNN' in cls else pd.DataFrame()
-    top_knn_features = knn_importances.head(n_features)["feature"].values if 'KNN' in cls else []
+    knn_importances = (
+        features_knn(x_train, y_train, knn_params) if "KNN" in cls else pd.DataFrame()
+    )
+    top_knn_features = (
+        knn_importances.head(n_features)["feature"].values if "KNN" in cls else []
+    )
 
     #! Find common features
-    common_features = ips.shared(lasso_selected_features,selected_ridge_features, selected_enet_features,
-                                 top_rf_features,top_gb_features,top_xgb_features,
-                                 selected_svm_features, selected_naive_bayes_features,selected_lda_features,
-                                 top_adaboost_features,top_dt_features, top_bagging_features, top_knn_features,
-                                 strict=strict,
-                                 n_shared=n_shared
-                                 )
+    common_features = ips.shared(
+        lasso_selected_features,
+        selected_ridge_features,
+        selected_enet_features,
+        top_rf_features,
+        top_gb_features,
+        top_xgb_features,
+        selected_svm_features,
+        selected_naive_bayes_features,
+        selected_lda_features,
+        top_adaboost_features,
+        top_dt_features,
+        top_bagging_features,
+        top_knn_features,
+        strict=strict,
+        n_shared=n_shared,
+        verbose=False
+    )
 
     # Use selected features or all features for model validation
-    X_train_selected = X_train[list(common_features)] if use_selected_features else X_train
-    X_test_selected = X_test[list(common_features)] if use_selected_features else X_test
+    x_train_selected = (
+        x_train[list(common_features)] if use_selected_features else x_train
+    )
+    x_test_selected = x_test[list(common_features)] if use_selected_features else x_test
 
     if metrics is None:
-        metrics = ["accuracy", "precision", "recall", "f1", "roc_auc"] 
+        metrics = ["accuracy", "precision", "recall", "f1", "roc_auc"]
 
     # Prepare results DataFrame for selected features
-    features_df = pd.DataFrame({
-        'type': 
-                ['Lasso'] * len(lasso_selected_features)+
-                ['Ridge'] * len(selected_ridge_features)+
-                ['Random Forest'] * len(top_rf_features) + 
-                ['Gradient Boosting'] * len(top_gb_features)+
-                ["Enet"]*len(selected_enet_features)+
-                ['xgb'] * len(top_xgb_features)+
-                ['SVM'] * len(selected_svm_features) + 
-                ['Naive Bayes'] * len(selected_naive_bayes_features)+
-                ['Linear Discriminant Analysis'] * len(selected_lda_features)+
-                ['AdaBoost'] * len(top_adaboost_features)+
-                ['Decision Tree'] * len(top_dt_features) + 
-                ['Bagging'] * len(top_bagging_features) +
-                ['KNN'] * len(top_knn_features),
-        'feature': np.concatenate([lasso_selected_features,selected_ridge_features,
-                                    top_rf_features,top_gb_features,selected_enet_features,top_xgb_features,
-                                    selected_svm_features,selected_naive_bayes_features,
-                                    selected_lda_features,top_adaboost_features,top_dt_features, 
-                                    top_bagging_features, top_knn_features
-                                    ])
-    })
+    features_df = pd.DataFrame(
+        {
+            "type": ["Lasso"] * len(lasso_selected_features)
+            + ["Ridge"] * len(selected_ridge_features)
+            + ["Random Forest"] * len(top_rf_features)
+            + ["Gradient Boosting"] * len(top_gb_features)
+            + ["Enet"] * len(selected_enet_features)
+            + ["xgb"] * len(top_xgb_features)
+            + ["SVM"] * len(selected_svm_features)
+            + ["Naive Bayes"] * len(selected_naive_bayes_features)
+            + ["Linear Discriminant Analysis"] * len(selected_lda_features)
+            + ["AdaBoost"] * len(top_adaboost_features)
+            + ["Decision Tree"] * len(top_dt_features)
+            + ["Bagging"] * len(top_bagging_features)
+            + ["KNN"] * len(top_knn_features),
+            "feature": np.concatenate(
+                [
+                    lasso_selected_features,
+                    selected_ridge_features,
+                    top_rf_features,
+                    top_gb_features,
+                    selected_enet_features,
+                    top_xgb_features,
+                    selected_svm_features,
+                    selected_naive_bayes_features,
+                    selected_lda_features,
+                    top_adaboost_features,
+                    top_dt_features,
+                    top_bagging_features,
+                    top_knn_features,
+                ]
+            ),
+        }
+    )
 
     #! Validate trained each classifier
-    classifiers=get_classifiers(random_state=random_state,cls=cls) 
-    cv_train_results,cv_test_results = [],[]
-    for name, clf in classifiers.items():
-        if not X_train_selected.empty:
-            cv_scores=validate_classifier(clf, 
-                                          X_train_selected, 
-                                          y_train, 
-                                          X_test_selected, 
-                                          y_test, 
-                                          metrics=metrics,
-                                          cv_folds=cv_folds)
+    models = get_models(random_state=random_state, cls=cls)
+    cv_train_results, cv_test_results = [], []
+    for name, clf in models.items():
+        if not x_train_selected.empty:
+            cv_scores = validate_classifier(
+                clf,
+                x_train_selected,
+                y_train,
+                x_test_selected,
+                y_test,
+                metrics=metrics,
+                cv_folds=cv_folds,
+            )
 
             cv_train_score_df = pd.DataFrame(cv_scores["cv_train_scores"], index=[name])
             cv_test_score_df = pd.DataFrame(cv_scores["cv_test_scores"], index=[name])
             cv_train_results.append(cv_train_score_df)
             cv_test_results.append(cv_test_score_df)
-    if all([cv_train_results,cv_train_results]):
-        cv_train_results_df = pd.concat(cv_train_results).reset_index().rename(columns={'index': 'Classifier'})
-        cv_test_results_df = pd.concat(cv_test_results).reset_index().rename(columns={'index': 'Classifier'})
+    if all([cv_train_results, cv_test_results]):
+        cv_train_results_df = (
+            pd.concat(cv_train_results)
+            .reset_index()
+            .rename(columns={"index": "Classifier"})
+        )
+        cv_test_results_df = (
+            pd.concat(cv_test_results)
+            .reset_index()
+            .rename(columns={"index": "Classifier"})
+        )
         #! Store results in the main results dictionary
         results = {
             "selected_features": features_df,
             "cv_train_scores": cv_train_results_df,
-            "cv_test_scores": cv_test_results_df,
+            "cv_test_scores": rank_models(cv_test_results_df),
             "common_features": list(common_features),
         }
     else:
@@ -611,71 +906,75 @@ def get_features(
         }
         print(f"Warning: 没有找到共同的genes, when n_shared={n_shared}")
     return results
+
+
 #! # usage:
 # # Get features and common features
 # results = get_features(X, y)
 # common_features = results["common_features"]
 def validate_features(
-    X_train: pd.DataFrame,
+    x_train: pd.DataFrame,
     y_train: pd.Series,
-    X_true: pd.DataFrame,
+    x_true: pd.DataFrame,
     y_true: pd.Series,
-    common_features:set=None,
-    classifiers: Optional[Dict[str, Any]] = None,
+    common_features: set = None,
+    models: Optional[Dict[str, Any]] = None,
     metrics: Optional[list] = None,
     random_state: int = 1,
     smote: bool = False,
+    n_jobs:int = -1,
     plot_: bool = True,
     class_weight: str = "balanced",
 ) -> dict:
     """
-    Validate classifiers using selected features on the validation dataset.
+    Validate models using selected features on the validation dataset.
 
     Parameters:
-    - X_train (pd.DataFrame): Training feature dataset.
+    - x_train (pd.DataFrame): Training feature dataset.
     - y_train (pd.Series): Training target variable.
-    - X_true (pd.DataFrame): Validation feature dataset.
+    - x_true (pd.DataFrame): Validation feature dataset.
     - y_true (pd.Series): Validation target variable.
     - common_features (set): Set of common features to use for validation.
-    - classifiers (dict, optional): Dictionary of classifiers to validate.
+    - models (dict, optional): Dictionary of models to validate.
     - metrics (list, optional): List of metrics to compute.
     - random_state (int): Random state for reproducibility.
     - plot_ (bool): Option to plot metrics (to be implemented if needed).
     - class_weight (str or dict): Class weights to handle imbalance.
 
     """
-
+    from tqdm import tqdm
     # Ensure common features are selected
-    common_features = ips.shared(common_features, 
-                                 X_train.columns, 
-                                 X_true.columns,
-                                 strict=True)
+    common_features = ips.shared(common_features, x_train.columns, x_true.columns, strict=True,verbose=False)
 
     # Filter the training and validation datasets for the common features
-    X_train_selected = X_train[common_features]
-    X_true_selected = X_true[common_features]
+    x_train_selected = x_train[common_features]
+    x_true_selected = x_true[common_features]
 
-    if not X_true_selected.index.equals(y_true.index):
-        raise ValueError("Index mismatch between validation features and target. Ensure data alignment.")
-    
-    y_true= y_true.loc[X_true_selected.index]
+    if not x_true_selected.index.equals(y_true.index):
+        raise ValueError(
+            "Index mismatch between validation features and target. Ensure data alignment."
+        )
+
+    y_true = y_true.loc[x_true_selected.index]
 
     # Handle class imbalance using SMOTE
     if smote:
-        if y_train.value_counts(normalize=True).max() < 0.8:  # Threshold to decide if data is imbalanced
+        if (
+            y_train.value_counts(normalize=True).max() < 0.8
+        ):  # Threshold to decide if data is imbalanced
             smote = SMOTE(random_state=random_state)
-            X_train_resampled, y_train_resampled = smote.fit_resample(
-                X_train_selected, y_train
+            x_train_resampled, y_train_resampled = smote.fit_resample(
+                x_train_selected, y_train
             )
         else:
             # skip SMOTE
-            X_train_resampled, y_train_resampled = X_train_selected, y_train
+            x_train_resampled, y_train_resampled = x_train_selected, y_train
     else:
-        X_train_resampled, y_train_resampled = X_train_selected, y_train
+        x_train_resampled, y_train_resampled = x_train_selected, y_train
 
-    # Default classifiers if not provided
-    if classifiers is None:
-        classifiers = {
+    # Default models if not provided
+    if models is None:
+        models = {
             "Random Forest": RandomForestClassifier(
                 class_weight=class_weight, random_state=random_state
             ),
@@ -684,86 +983,107 @@ def validate_features(
                 class_weight=class_weight, random_state=random_state
             ),
             "Gradient Boosting": GradientBoostingClassifier(random_state=random_state),
-            "AdaBoost": AdaBoostClassifier(random_state=random_state, algorithm="SAMME"),
-            "Lasso": LogisticRegression(penalty='l1', solver='saga', random_state=random_state),
-            "Ridge": LogisticRegression(penalty='l2', solver='saga', random_state=random_state),
-            "Elastic Net": LogisticRegression(penalty='elasticnet', solver='saga', l1_ratio=0.5, random_state=random_state),
-            "XGBoost": xgb.XGBClassifier(use_label_encoder=False, eval_metric='logloss'),
+            "AdaBoost": AdaBoostClassifier(
+                random_state=random_state, algorithm="SAMME"
+            ),
+            "Lasso": LogisticRegression(
+                penalty="l1", solver="saga", random_state=random_state
+            ),
+            "Ridge": LogisticRegression(
+                penalty="l2", solver="saga", random_state=random_state
+            ),
+            "Elastic Net": LogisticRegression(
+                penalty="elasticnet",
+                solver="saga",
+                l1_ratio=0.5,
+                random_state=random_state,
+            ),
+            "XGBoost": xgb.XGBClassifier(eval_metric="logloss"
+            ),
             "Naive Bayes": GaussianNB(),
-            "LDA": LinearDiscriminantAnalysis()
+            "LDA": LinearDiscriminantAnalysis(),
         }
 
-    # Hyperparameter grids for tuning 
+    # Hyperparameter grids for tuning
     param_grids = {
         "Random Forest": {
-            'n_estimators': [100, 200, 300, 400, 500],
-            'max_depth': [None, 3, 5, 10, 20],
-            'min_samples_split': [2, 5, 10],
-            'min_samples_leaf': [1, 2, 4],
-            'class_weight': [None, 'balanced']
+            "n_estimators": [100, 200, 300, 400, 500],
+            "max_depth": [None, 3, 5, 10, 20],
+            "min_samples_split": [2, 5, 10],
+            "min_samples_leaf": [1, 2, 4],
+            "class_weight": [None, "balanced"],
         },
         "SVM": {
-            'C': [0.01, 0.1, 1, 10, 100, 1000],
-            'gamma': [0.001, 0.01, 0.1, 'scale', 'auto'],
-            'kernel': ['linear', 'rbf', 'poly']
+            "C": [0.01, 0.1, 1, 10, 100, 1000],
+            "gamma": [0.001, 0.01, 0.1, "scale", "auto"],
+            "kernel": ["linear", "rbf", "poly"],
         },
         "Logistic Regression": {
-            'C': [0.01, 0.1, 1, 10, 100],
-            'solver': ['liblinear', 'saga', 'newton-cg', 'lbfgs'],
-            'penalty': ['l1', 'l2'],
-            'max_iter': [100, 200, 300]
+            "C": [0.01, 0.1, 1, 10, 100],
+            "solver": ["liblinear", "saga", "newton-cg", "lbfgs"],
+            "penalty": ["l1", "l2"],
+            "max_iter": [100, 200, 300],
         },
         "Gradient Boosting": {
-            'n_estimators': [100, 200, 300, 400, 500],
-            'learning_rate': np.logspace(-3, 0, 4),
-            'max_depth': [3, 5, 7, 9],
-            'min_samples_split': [2, 5, 10]
+            "n_estimators": [100, 200, 300, 400, 500],
+            "learning_rate": np.logspace(-3, 0, 4),
+            "max_depth": [3, 5, 7, 9],
+            "min_samples_split": [2, 5, 10],
         },
         "AdaBoost": {
-            'n_estimators': [50, 100, 200, 300, 500],
-            'learning_rate': np.logspace(-3, 0, 4)
-        },
-        "Lasso": {
-            'C': np.logspace(-3, 1, 10),
-            'max_iter': [100, 200, 300]
-        },
-        "Ridge": {
-            'C': np.logspace(-3, 1, 10),
-            'max_iter': [100, 200, 300]
+            "n_estimators": [50, 100, 200, 300, 500],
+            "learning_rate": np.logspace(-3, 0, 4),
         },
+        "Lasso": {"C": np.logspace(-3, 1, 10), "max_iter": [100, 200, 300]},
+        "Ridge": {"C": np.logspace(-3, 1, 10), "max_iter": [100, 200, 300]},
         "Elastic Net": {
-            'C': np.logspace(-3, 1, 10),
-            'l1_ratio': [0.1, 0.5, 0.9],
-            'max_iter': [100, 200, 300]
+            "C": np.logspace(-3, 1, 10),
+            "l1_ratio": [0.1, 0.5, 0.9],
+            "max_iter": [100, 200, 300],
         },
         "XGBoost": {
-            'n_estimators': [100, 200],
-            'max_depth': [3, 5, 7],
-            'learning_rate': [0.01, 0.1, 0.2],
-            'subsample': [0.8, 1.0],
-            'colsample_bytree': [0.8, 1.0]
+            "n_estimators": [100, 200],
+            "max_depth": [3, 5, 7],
+            "learning_rate": [0.01, 0.1, 0.2],
+            "subsample": [0.8, 1.0],
+            "colsample_bytree": [0.8, 1.0],
         },
         "Naive Bayes": {},
-        "LDA": {
-            'solver': ['svd', 'lsqr', 'eigen']
-        }
+        "LDA": {"solver": ["svd", "lsqr", "eigen"]},
     }
     # Default metrics if not provided
     if metrics is None:
-        metrics = ["accuracy", "precision", "recall", "f1", "roc_auc", "mcc", "specificity", "balanced_accuracy", "pr_auc"]
+        metrics = [
+            "accuracy",
+            "precision",
+            "recall",
+            "f1",
+            "roc_auc",
+            "mcc",
+            "specificity",
+            "balanced_accuracy",
+            "pr_auc",
+        ]
 
     results = {}
 
     # Validate each classifier with GridSearchCV
-    for name, clf in classifiers.items():
+    for name, clf in tqdm(
+                models.items(),
+                desc="for metric in metrics",
+                colour="green",
+                bar_format="{l_bar}{bar} {n_fmt}/{total_fmt}",
+            ):
         print(f"\nValidating {name} on the validation dataset:")
 
         # Check if `predict_proba` method exists; if not, use CalibratedClassifierCV
         # 没有predict_proba的分类器，使用 CalibratedClassifierCV 可以获得校准的概率估计。此外，为了使代码更灵活，我们可以在创建分类器
         # 时检查 predict_proba 方法是否存在，如果不存在且用户希望计算 roc_auc 或 pr_auc，则启用 CalibratedClassifierCV
         if not hasattr(clf, "predict_proba"):
-            print(f"Using CalibratedClassifierCV for {name} due to lack of probability estimates.")
-            calibrated_clf = CalibratedClassifierCV(clf, method='sigmoid', cv='prefit')
+            print(
+                f"Using CalibratedClassifierCV for {name} due to lack of probability estimates."
+            )
+            calibrated_clf = CalibratedClassifierCV(clf, method="sigmoid", cv="prefit")
         else:
             calibrated_clf = clf
         # Stratified K-Fold for cross-validation
@@ -771,28 +1091,30 @@ def validate_features(
 
         # Create GridSearchCV object
         gs = GridSearchCV(
-            estimator=  calibrated_clf,
+            estimator=calibrated_clf,
             param_grid=param_grids[name],
             scoring="roc_auc",  # Optimize for ROC AUC
             cv=skf,  # Stratified K-Folds cross-validation
-            n_jobs=-1, 
+            n_jobs=n_jobs,
             verbose=1,
         )
 
         # Fit the model using GridSearchCV
-        gs.fit(X_train_resampled, y_train_resampled)
+        gs.fit(x_train_resampled, y_train_resampled)
         # Best estimator from grid search
         best_clf = gs.best_estimator_
         # Make predictions on the validation set
-        y_pred = best_clf.predict(X_true_selected)
+        y_pred = best_clf.predict(x_true_selected)
         # Calculate probabilities for ROC AUC if possible
         if hasattr(best_clf, "predict_proba"):
-            y_pred_proba = best_clf.predict_proba(X_true_selected)[:, 1]
+            y_pred_proba = best_clf.predict_proba(x_true_selected)[:, 1]
         elif hasattr(best_clf, "decision_function"):
             # If predict_proba is not available, use decision_function (e.g., for SVM)
-            y_pred_proba = best_clf.decision_function(X_true_selected)
+            y_pred_proba = best_clf.decision_function(x_true_selected)
             # Ensure y_pred_proba is within 0 and 1 bounds
-            y_pred_proba = (y_pred_proba - y_pred_proba.min()) / (y_pred_proba.max() - y_pred_proba.min())
+            y_pred_proba = (y_pred_proba - y_pred_proba.min()) / (
+                y_pred_proba.max() - y_pred_proba.min()
+            )
         else:
             y_pred_proba = None  # No probability output for certain models
 
@@ -802,11 +1124,15 @@ def validate_features(
             if metric == "accuracy":
                 validation_scores[metric] = accuracy_score(y_true, y_pred)
             elif metric == "precision":
-                validation_scores[metric] = precision_score(y_true, y_pred, average='weighted')
+                validation_scores[metric] = precision_score(
+                    y_true, y_pred, average="weighted"
+                )
             elif metric == "recall":
-                validation_scores[metric] = recall_score(y_true, y_pred, average='weighted')
+                validation_scores[metric] = recall_score(
+                    y_true, y_pred, average="weighted"
+                )
             elif metric == "f1":
-                validation_scores[metric] = f1_score(y_true, y_pred, average='weighted')
+                validation_scores[metric] = f1_score(y_true, y_pred, average="weighted")
             elif metric == "roc_auc" and y_pred_proba is not None:
                 validation_scores[metric] = roc_auc_score(y_true, y_pred_proba)
             elif metric == "mcc":
@@ -816,32 +1142,35 @@ def validate_features(
                 validation_scores[metric] = tn / (tn + fp)  # Specificity calculation
             elif metric == "balanced_accuracy":
                 validation_scores[metric] = balanced_accuracy_score(y_true, y_pred)
-            elif metric == "pr_auc"  and y_pred_proba is not None:
+            elif metric == "pr_auc" and y_pred_proba is not None:
                 precision, recall, _ = precision_recall_curve(y_true, y_pred_proba)
-                validation_scores[metric] = average_precision_score(y_true, y_pred_proba)
-    
+                validation_scores[metric] = average_precision_score(
+                    y_true, y_pred_proba
+                )
+
         # Calculate ROC curve
-        #https://scikit-learn.org/stable/auto_examples/model_selection/plot_roc.html
+        # https://scikit-learn.org/stable/auto_examples/model_selection/plot_roc.html
         if y_pred_proba is not None:
             # fpr, tpr, roc_auc = dict(), dict(), dict()
             fpr, tpr, _ = roc_curve(y_true, y_pred_proba)
-            lower_ci, upper_ci = cal_auc_ci(y_true, y_pred_proba)
-            roc_auc=auc(fpr, tpr)
-            roc_info={
+            lower_ci, upper_ci = cal_auc_ci(y_true, y_pred_proba,verbose=False)
+            roc_auc = auc(fpr, tpr)
+            roc_info = {
                 "fpr": fpr.tolist(),
                 "tpr": tpr.tolist(),
-                "auc":roc_auc,
-                "ci95":(lower_ci, upper_ci)
+                "auc": roc_auc,
+                "ci95": (lower_ci, upper_ci),
             }
             # precision-recall curve
-            precision_, recall_, _  = precision_recall_curve(y_true, y_pred_proba)
+            precision_, recall_, _ = precision_recall_curve(y_true, y_pred_proba)
             avg_precision_ = average_precision_score(y_true, y_pred_proba)
-            pr_info = {"precision": precision_,
-                       "recall":recall_,
-                       "avg_precision":avg_precision_
-                       }
+            pr_info = {
+                "precision": precision_,
+                "recall": recall_,
+                "avg_precision": avg_precision_,
+            }
         else:
-            roc_info,pr_info=None,None
+            roc_info, pr_info = None, None
         results[name] = {
             "best_params": gs.best_params_,
             "scores": validation_scores,
@@ -849,24 +1178,93 @@ def validate_features(
             "pr_curve": pr_info,
             "confusion_matrix": confusion_matrix(y_true, y_pred),
         }
- 
+
     df_results = pd.DataFrame.from_dict(results, orient="index")
 
     return df_results
 
- #! usage validate_features()
- # Validate classifiers using the validation dataset (X_val, y_val)
+
+#! usage validate_features()
+# Validate models using the validation dataset (X_val, y_val)
 # validation_results = validate_features(X, y, X_val, y_val, common_features)
 
 # # If you want to access validation scores
 # print(validation_results)
+def plot_validate_features(res_val):
+    """
+    plot the results of 'validate_features()'
+    """
+    colors = plot.get_color(len(ips.flatten(res_val["pr_curve"].index)))
+    if res_val.shape[0]>5:
+        alpha=0
+        figsize=[8,10]
+        subplot_layout=[1,2]
+        ncols=2
+        bbox_to_anchor=[1.5,0.6]
+    else:
+        alpha=0.03
+        figsize=[10,6]
+        subplot_layout=[1,1]
+        ncols=1
+        bbox_to_anchor=[1,1]
+    nexttile = plot.subplot(figsize=figsize)
+    ax = nexttile(subplot_layout[0],subplot_layout[1])
+    for i, model_name in enumerate(ips.flatten(res_val["pr_curve"].index)):
+        fpr = res_val["roc_curve"][model_name]["fpr"]
+        tpr = res_val["roc_curve"][model_name]["tpr"]
+        (lower_ci, upper_ci) = res_val["roc_curve"][model_name]["ci95"]
+        mean_auc = res_val["roc_curve"][model_name]["auc"]
+        plot_roc_curve(
+            fpr,tpr,mean_auc,lower_ci,upper_ci,model_name=model_name,
+            lw=1.5,color=colors[i],alpha=alpha,ax=ax)
+    plot.figsets(sp=2,legend=dict(loc="upper right", ncols=ncols, fontsize=8, bbox_to_anchor=[1.5,0.6],markerscale=0.8))
+    # plot.split_legend(ax,n=2, loc=["upper left", "lower left"],bbox=[[1,0.5],[1,0.5]],ncols=2,labelcolor="k",fontsize=8)
+
+    ax = nexttile(subplot_layout[0],subplot_layout[1])
+    for i, model_name in enumerate(ips.flatten(res_val["pr_curve"].index)):
+        plot_pr_curve(
+            recall=res_val["pr_curve"][model_name]["recall"],
+            precision=res_val["pr_curve"][model_name]["precision"],
+            avg_precision=res_val["pr_curve"][model_name]["avg_precision"],
+            model_name=model_name,
+            color=colors[i],lw=1.5,alpha=alpha,ax=ax)
+    plot.figsets(sp=2,legend=dict(loc="upper right", ncols=1, fontsize=8, bbox_to_anchor=[1.5,0.5]))
+    # plot.split_legend(ax,n=2, loc=["upper left", "lower left"],bbox=[[1,0.5],[1,0.5]],ncols=2,labelcolor="k",fontsize=8)
  
- 
-def cal_auc_ci(y_true, y_pred, n_bootstraps=1000, ci=0.95,random_state=1):
+def plot_validate_features_single(res_val,figsize=None):
+    if figsize is None:
+        nexttile = plot.subplot(len(ips.flatten(res_val["pr_curve"].index)), 3)
+    else:
+        nexttile = plot.subplot(len(ips.flatten(res_val["pr_curve"].index)), 3,figsize=figsize)
+    for model_name in ips.flatten(res_val["pr_curve"].index):
+        fpr = res_val["roc_curve"][model_name]["fpr"]
+        tpr = res_val["roc_curve"][model_name]["tpr"]
+        (lower_ci, upper_ci) = res_val["roc_curve"][model_name]["ci95"]
+        mean_auc = res_val["roc_curve"][model_name]["auc"]
+
+        # Plotting
+        plot_roc_curve(fpr, tpr, mean_auc, lower_ci, upper_ci, ax=nexttile())
+        plot.figsets(title=model_name, sp=2)
+
+        plot_pr_curve(
+            recall=res_val["pr_curve"][model_name]["recall"],
+            precision=res_val["pr_curve"][model_name]["precision"],
+            avg_precision=res_val["pr_curve"][model_name]["avg_precision"],
+            model_name=model_name,
+            ax=nexttile(),
+        )
+        plot.figsets(title=model_name, sp=2)
+
+        # plot cm
+        plot_cm(res_val["confusion_matrix"][model_name], ax=nexttile(), normalize=False)
+        plot.figsets(title=model_name, sp=2)
+
+def cal_auc_ci(y_true, y_pred, n_bootstraps=1000, ci=0.95, random_state=1,verbose=True):
     y_true = np.asarray(y_true)
     y_pred = np.asarray(y_pred)
     bootstrapped_scores = []
-    print("auroc score:", roc_auc_score(y_true, y_pred))
+    if verbose:
+        print("auroc score:", roc_auc_score(y_true, y_pred))
     rng = np.random.RandomState(random_state)
     for i in range(n_bootstraps):
         # bootstrap by sampling with replacement on the prediction indices
@@ -887,21 +1285,24 @@ def cal_auc_ci(y_true, y_pred, n_bootstraps=1000, ci=0.95,random_state=1):
     # Computing the lower and upper bound of the 90% confidence interval
     # You can change the bounds percentiles to 0.025 and 0.975 to get
     # a 95% confidence interval instead.
-    confidence_lower = sorted_scores[int((1-ci) * len(sorted_scores))]
+    confidence_lower = sorted_scores[int((1 - ci) * len(sorted_scores))]
     confidence_upper = sorted_scores[int(ci * len(sorted_scores))]
-    print(
+    if verbose:
+        print(
         "Confidence interval for the score: [{:0.3f} - {:0.3}]".format(
             confidence_lower, confidence_upper
         )
     )
     return confidence_lower, confidence_upper
 
+
 def plot_roc_curve(
     fpr=None,
     tpr=None,
     mean_auc=None,
     lower_ci=None,
     upper_ci=None,
+    model_name=None,
     color="#FF8F00",
     lw=2,
     alpha=0.1,
@@ -913,24 +1314,23 @@ def plot_roc_curve(
     diagonal_color="0.5",
     figsize=(5, 5),
     ax=None,
-    **kwargs
+    **kwargs,
 ):
     if ax is None:
         fig, ax = plt.subplots(figsize=figsize)
     if mean_auc is not None:
+        model_name = "ROC curve" if model_name is None else model_name
         if ci_display:
-            label = (
-                f"ROC curve (AUC = {mean_auc:.3f})\n95% CI: {lower_ci:.3f} - {upper_ci:.3f}"
-            )
+            label = f"{model_name} (AUC = {mean_auc:.3f})\n95% CI: {lower_ci:.3f} - {upper_ci:.3f}"
         else:
-            label = f"ROC curve (AUC = {mean_auc:.3f})"
+            label = f"{model_name} (AUC = {mean_auc:.3f})"
     else:
         label = None
 
     # Plot ROC curve and the diagonal reference line
     ax.fill_between(fpr, tpr, alpha=alpha, color=color)
-    ax.plot([0, 1], [0, 1], color=diagonal_color, linestyle="--")
-    ax.plot(fpr, tpr, color=color, lw=lw, label=label,**kwargs)
+    ax.plot([0, 1], [0, 1], color=diagonal_color, clip_on=False, linestyle="--")
+    ax.plot(fpr, tpr, color=color, lw=lw, label=label,clip_on=False, **kwargs)
     # Setting plot limits, labels, and title
     ax.set_xlim([-0.01, 1.0])
     ax.set_ylim([0.0, 1.0])
@@ -939,7 +1339,9 @@ def plot_roc_curve(
     ax.set_title(title)
     ax.legend(loc=legend_loc)
     return ax
-#* usage: ml2ls.plot_roc_curve(fpr, tpr, mean_auc, lower_ci, upper_ci)
+
+
+# * usage: ml2ls.plot_roc_curve(fpr, tpr, mean_auc, lower_ci, upper_ci)
 # for model_name in flatten(validation_results["roc_curve"].keys())[2:]:
 #     fpr = validation_results["roc_curve"][model_name]["fpr"]
 #     tpr = validation_results["roc_curve"][model_name]["tpr"]
@@ -950,6 +1352,7 @@ def plot_roc_curve(
 #     ml2ls.plot_roc_curve(fpr, tpr, mean_auc, lower_ci, upper_ci)
 #     figsets(title=model_name)
 
+
 def plot_pr_curve(
     recall=None,
     precision=None,
@@ -961,21 +1364,24 @@ def plot_pr_curve(
     xlabel="Recall",
     ylabel="Precision",
     alpha=0.1,
-    color="#FF8F00", 
+    color="#FF8F00",
     legend_loc="lower left",
     ax=None,
-    **kwargs
+    **kwargs,
 ):
     if ax is None:
         fig, ax = plt.subplots(figsize=figsize)
-
+    model_name = "PR curve" if model_name is None else model_name
     # Plot Precision-Recall curve
-    ax.plot(recall,
-            precision,
-            lw=lw,
-            color=color,
-            label=( f"PR curve (AUC={avg_precision:.2f})"),
-            **kwargs)
+    ax.plot(
+        recall,
+        precision,
+        lw=lw,
+        color=color,
+        label=(f"{model_name} (AUC={avg_precision:.2f})"),
+        clip_on=False,
+        **kwargs,
+    )
     # Fill area under the curve
     ax.fill_between(recall, precision, alpha=alpha, color=color)
 
@@ -985,10 +1391,12 @@ def plot_pr_curve(
     ax.set_ylabel(ylabel)
     ax.set_xlim([-0.01, 1.0])
     ax.set_ylim([0.0, 1.0])
-    ax.grid(False) 
+    ax.grid(False)
     ax.legend(loc=legend_loc)
     return ax
-#* usage: ml2ls.plot_pr_curve()
+
+
+# * usage: ml2ls.plot_pr_curve()
 # for md_name in flatten(validation_results["pr_curve"].keys()):
 #     ml2ls.plot_pr_curve(
 #         recall=validation_results["pr_curve"][md_name]["recall"],
@@ -1000,6 +1408,7 @@ def plot_pr_curve(
 #         color="r",
 #     )
 
+
 def plot_cm(
     cm,
     labels_name=None,
@@ -1016,7 +1425,9 @@ def plot_cm(
     if ax is None:
         fig, ax = plt.subplots(figsize=figsize)
 
-    cm_normalized = np.round(cm.astype("float") / cm.sum(axis=1)[:, np.newaxis] * 100, 2)
+    cm_normalized = np.round(
+        cm.astype("float") / cm.sum(axis=1)[:, np.newaxis] * 100, 2
+    )
     cm_value = cm_normalized if normalize else cm.astype("int")
     # Plot the heatmap
     cax = ax.imshow(cm_normalized, interpolation="nearest", cmap=cmap)
@@ -1026,14 +1437,13 @@ def plot_cm(
     # Define tick labels based on provided labels
     num_local = np.arange(len(labels_name)) if labels_name is not None else range(2)
     if axis_labels is None:
-        axis_labels = labels_name if labels_name is not None else ["No","Yes"]
+        axis_labels = labels_name if labels_name is not None else ["No", "Yes"]
     ax.set_xticks(num_local)
     ax.set_xticklabels(axis_labels)
     ax.set_yticks(num_local)
     ax.set_yticklabels(axis_labels)
     ax.set_ylabel(ylabel)
     ax.set_xlabel(xlabel)
-    plot.figsets(ax=ax, xtickloc="tl", boxloc="none")
 
     # Add TN, FP, FN, TP annotations specifically for binary classification (2x2 matrix)
     if labels_name is None or len(labels_name) == 2:
@@ -1050,29 +1460,53 @@ def plot_cm(
         tp_label = "TP"
 
         # Adjust positions slightly for TN, FP, FN, TP labels
-        ax.text(0,0,
-            f"{tn_label}:{cm_normalized[0, 0]:.2f}%" if normalize else f"{tn_label}:{cm_value[0, 0]}",
+        ax.text(
+            0,
+            0,
+            (
+                f"{tn_label}:{cm_normalized[0, 0]:.2f}%"
+                if normalize
+                else f"{tn_label}:{cm_value[0, 0]}"
+            ),
             ha="center",
             va="center",
             color="white" if cm_normalized[0, 0] > thresh * 100 else "black",
             fontsize=fontsize,
         )
-        ax.text(1,0,
-            f"{fp_label}:{cm_normalized[0, 1]:.2f}%" if normalize else f"{tn_label}:{cm_value[0, 1]}",
+        ax.text(
+            1,
+            0,
+            (
+                f"{fp_label}:{cm_normalized[0, 1]:.2f}%"
+                if normalize
+                else f"{fp_label}:{cm_value[0, 1]}"
+            ),
             ha="center",
             va="center",
             color="white" if cm_normalized[0, 1] > thresh * 100 else "black",
             fontsize=fontsize,
         )
-        ax.text(0,1,
-            f"{fn_label}:{cm_normalized[1, 0]:.2f}%" if normalize else f"{tn_label}:{cm_value[1, 0]}",
+        ax.text(
+            0,
+            1,
+            (
+                f"{fn_label}:{cm_normalized[1, 0]:.2f}%"
+                if normalize
+                else f"{fn_label}:{cm_value[1, 0]}"
+            ),
             ha="center",
             va="center",
             color="white" if cm_normalized[1, 0] > thresh * 100 else "black",
             fontsize=fontsize,
         )
-        ax.text(1,1,
-            f"{tp_label}:{cm_normalized[1, 1]:.2f}%" if normalize else f"{tn_label}:{cm_value[1, 1]}",
+        ax.text(
+            1,
+            1,
+            (
+                f"{tp_label}:{cm_normalized[1, 1]:.2f}%"
+                if normalize
+                else f"{tp_label}:{cm_value[1, 1]}"
+            ),
             ha="center",
             va="center",
             color="white" if cm_normalized[1, 1] > thresh * 100 else "black",
@@ -1084,11 +1518,1028 @@ def plot_cm(
             for j in range(len(labels_name)):
                 val = cm_normalized[i, j]
                 color = "white" if val > thresh * 100 else "black"
-                ax.text(j,i,
+                ax.text(
+                    j,
+                    i,
                     f"{val:.2f}%",
                     ha="center",
                     va="center",
                     color=color,
                     fontsize=fontsize,
                 )
+    
+    plot.figsets(ax=ax, 
+                 boxloc="none"
+                 )
     return ax
+
+def rank_models(
+    cv_test_scores,
+    rm_outlier=False,
+    metric_weights=None,
+    plot_=True,
+):
+    """
+    Selects the best model based on a multi-metric scoring approach, with outlier handling, optional visualization,
+    and additional performance metrics.
+
+    Parameters:
+    - cv_test_scores (pd.DataFrame): DataFrame with cross-validation results across multiple metrics.
+                                     Assumes columns are 'Classifier', 'accuracy', 'precision', 'recall', 'f1', 'roc_auc'.
+    - metric_weights (dict): Dictionary specifying weights for each metric (e.g., {'accuracy': 0.2, 'precision': 0.3, ...}).
+                             If None, default weights are applied equally across available metrics.
+                a. equal_weights(standard approch): 所有的metrics同等重要
+                    e.g., {"accuracy": 0.2, "precision": 0.2, "recall": 0.2, "f1": 0.2, "roc_auc": 0.2}
+                b. accuracy_focosed:  classification correctness (e.g., in balanced datasets), accuracy might be weighted more heavily.
+                    e.g., {"accuracy": 0.4, "precision": 0.2, "recall": 0.2, "f1": 0.1, "roc_auc": 0.1}
+                c. Precision and Recall Emphasis: In cases where false positives and false negatives are particularly important (such as
+                    in medical applications or fraud detection), precision and recall may be weighted more heavily.
+                    e.g., {"accuracy": 0.2, "precision": 0.3, "recall": 0.3, "f1": 0.1, "roc_auc": 0.1}
+                d. F1-Focused: When balance between precision and recall is crucial (e.g., in imbalanced datasets)
+                    e.g., {"accuracy": 0.2, "precision": 0.2, "recall": 0.2, "f1": 0.3, "roc_auc": 0.1}
+                e. ROC-AUC Emphasis: In some cases, ROC AUC may be prioritized, particularly in classification tasks where class imbalance
+                    is present, as ROC AUC accounts for the model's performance across all classification thresholds.
+                    e.g., {"accuracy": 0.1, "precision": 0.2, "recall": 0.2, "f1": 0.3, "roc_auc": 0.3}
+
+    - normalize (bool): Whether to normalize scores of each metric to range [0, 1].
+    - visualize (bool): If True, generates visualizations (e.g., bar plot, radar chart).
+    - outlier_threshold (float): The threshold to detect outliers using the IQR method. Default is 1.5.
+    - cv_folds (int): The number of cross-validation folds used.
+
+    Returns:
+    - best_model (str): Name of the best model based on the combined metric scores.
+    - scored_df (pd.DataFrame): DataFrame with an added 'combined_score' column used for model selection.
+    - visualizations (dict): A dictionary containing visualizations if `visualize=True`.
+    """
+    from sklearn.preprocessing import MinMaxScaler
+    import seaborn as sns
+    import matplotlib.pyplot as plt
+    from py2ls import plot
+
+    # Check for missing metrics and set default weights if not provided
+    available_metrics = cv_test_scores.columns[1:]  # Exclude 'Classifier' column
+    if metric_weights is None:
+        metric_weights = {
+            metric: 1 / len(available_metrics) for metric in available_metrics
+        }  # Equal weight if not specified
+    elif metric_weights == "a":
+        metric_weights = {
+            "accuracy": 0.2,
+            "precision": 0.2,
+            "recall": 0.2,
+            "f1": 0.2,
+            "roc_auc": 0.2,
+        }
+    elif metric_weights == "b":
+        metric_weights = {
+            "accuracy": 0.4,
+            "precision": 0.2,
+            "recall": 0.2,
+            "f1": 0.1,
+            "roc_auc": 0.1,
+        }
+    elif metric_weights == "c":
+        metric_weights = {
+            "accuracy": 0.2,
+            "precision": 0.3,
+            "recall": 0.3,
+            "f1": 0.1,
+            "roc_auc": 0.1,
+        }
+    elif metric_weights == "d":
+        metric_weights = {
+            "accuracy": 0.2,
+            "precision": 0.2,
+            "recall": 0.2,
+            "f1": 0.3,
+            "roc_auc": 0.1,
+        }
+    elif metric_weights == "e":
+        metric_weights = {
+            "accuracy": 0.1,
+            "precision": 0.2,
+            "recall": 0.2,
+            "f1": 0.3,
+            "roc_auc": 0.3,
+        }
+    else:
+        metric_weights = {
+            metric: 1 / len(available_metrics) for metric in available_metrics
+        }
+
+    # Normalize weights if they don’t sum to 1
+    total_weight = sum(metric_weights.values())
+    metric_weights = {
+        metric: weight / total_weight for metric, weight in metric_weights.items()
+    }
+    if rm_outlier:
+        cv_test_scores_ = ips.df_outlier(cv_test_scores)
+    else:
+        cv_test_scores_=cv_test_scores
+
+    # Normalize the scores of metrics if normalize is True
+    scaler = MinMaxScaler()
+    normalized_scores = pd.DataFrame(
+        scaler.fit_transform(cv_test_scores_[available_metrics]),
+        columns=available_metrics,
+    )
+    cv_test_scores_ = pd.concat(
+        [cv_test_scores_[["Classifier"]], normalized_scores], axis=1
+    )
+
+    # Calculate weighted scores for each model
+    cv_test_scores_["combined_score"] = sum(
+        cv_test_scores_[metric] * weight for metric, weight in metric_weights.items()
+    )
+    top_models = cv_test_scores_.sort_values(by="combined_score", ascending=False)
+    cv_test_scores = cv_test_scores.loc[top_models.index]
+    top_models.reset_index(drop=True, inplace=True)
+    cv_test_scores.reset_index(drop=True, inplace=True)
+
+    if plot_:
+
+        def generate_bar_plot(ax, cv_test_scores):
+            ax = plot.plotxy(
+                y="Classifier", x="combined_score", data=cv_test_scores, kind="bar"
+            )
+            plt.title("Classifier Performance")
+            plt.tight_layout()
+            return plt 
+
+        nexttile = plot.subplot(2, 2, figsize=[10, 7])
+        generate_bar_plot(nexttile(), top_models.dropna())
+        plot.radar(
+            ax=nexttile(projection="polar"),
+            data=cv_test_scores.set_index("Classifier"),
+            ylim=[0.5, 1],
+            color=plot.get_color(10),
+            alpha=0.05,
+            circular=1,
+        )
+    return cv_test_scores
+
+
+# # Example Usage:
+# metric_weights = {
+#     "accuracy": 0.2,
+#     "precision": 0.3,
+#     "recall": 0.2,
+#     "f1": 0.2,
+#     "roc_auc": 0.1,
+# }
+# cv_test_scores = res["cv_test_scores"].copy()
+# best_model = rank_models(
+#     cv_test_scores, metric_weights=metric_weights, normalize=True, plot_=True
+# )
+
+# figsave("classifier_performance.pdf")
+
+def predict(
+    x_train: pd.DataFrame,
+    y_train: pd.Series,
+    x_true: pd.DataFrame=None,
+    y_true: Optional[pd.Series] = None,
+    common_features: set = None,
+    purpose: str = "classification",  # 'classification' or 'regression'
+    cls: Optional[Dict[str, Any]] = None,
+    metrics: Optional[List[str]] = None,
+    random_state: int = 1,
+    smote: bool = False,
+    n_jobs:int  = -1,
+    plot_: bool = True,
+    test_size:float=0.2,# specific only when x_true is None
+    cv_folds:int=5,# more cv_folds 得更加稳定,auc可能更低
+    cv_level:str="l",#"s":'low',"m":'medium',"l":"high"
+    class_weight: str = "balanced",
+    verbose:bool=False,
+    dir_save:str="./"
+) -> pd.DataFrame:
+    """
+    1. 对x_train进行split_train_test,并对其进行validate
+    predict(x_train, y_train)
+    2. 利用x_train, y_train的数据,对x_true的数据进行predict
+    predict(x_train, y_train, x_true)
+    3. 利用x_train, y_train的数据,validate x_true和y_true
+    predict(x_train, y_train, x_true, y_true)
+ 
+    Advanced master predictor function with grid search for hyperparameter tuning.
+
+    Parameters:
+    - x_train, y_train: Training dataset.
+    - x_true, y_true: Dataset for validation or prediction (y_true=None for prediction).
+    - common_features (set): Common features to use for validation.
+    - purpose (str): Task type - 'classification' or 'regression'.
+    - models (dict): Dictionary of models and parameters.
+    - metrics (list): Metrics to compute.
+    - random_state (int): Seed for reproducibility.
+    - smote (bool): Use SMOTE for class imbalance (classification only).
+    - class_weight (str): Class weights to handle imbalance.
+
+    Returns:
+    - df_results (pd.DataFrame): DataFrame with performance metrics and hyperparameters.
+    """
+    from tqdm import tqdm
+    from sklearn.ensemble import RandomForestClassifier, RandomForestRegressor, ExtraTreesClassifier, ExtraTreesRegressor, BaggingClassifier, BaggingRegressor, AdaBoostClassifier, AdaBoostRegressor
+    from sklearn.svm import SVC, SVR
+    from sklearn.tree import DecisionTreeRegressor
+    from sklearn.linear_model import LogisticRegression, ElasticNet, ElasticNetCV, LinearRegression, Lasso,RidgeClassifierCV, Perceptron, SGDClassifier
+    from sklearn.neighbors import KNeighborsClassifier,KNeighborsRegressor
+    from sklearn.naive_bayes import GaussianNB,BernoulliNB
+    from sklearn.ensemble import GradientBoostingClassifier, GradientBoostingRegressor
+    import xgboost as xgb
+    import lightgbm as lgb
+    import catboost as cb
+    from sklearn.neural_network import MLPClassifier, MLPRegressor
+    from sklearn.model_selection import GridSearchCV, StratifiedKFold, KFold
+    from sklearn.discriminant_analysis import LinearDiscriminantAnalysis,QuadraticDiscriminantAnalysis
+    from sklearn.preprocessing import PolynomialFeatures
+
+
+    # 拼写检查
+    purpose=ips.strcmp(purpose,['classification','regression'])[0]
+    print(f"{purpose} processing...")
+    # Default models or regressors if not provided
+    if purpose == "classification":
+        model_ = {
+            "Random Forest": RandomForestClassifier(random_state=random_state, class_weight=class_weight),
+
+            # SVC (Support Vector Classification) 
+            "SVM": SVC(kernel="rbf",probability=True,class_weight=class_weight,random_state=random_state),
+
+            # fit the best model without enforcing sparsity, which means it does not directly perform feature selection.
+            "Logistic Regression": LogisticRegression(class_weight=class_weight, random_state=random_state),
+
+            # Logistic Regression with L1 Regularization (Lasso)
+            "Lasso Logistic Regression": LogisticRegression(penalty="l1", solver="saga", random_state=random_state),
+            "Gradient Boosting": GradientBoostingClassifier(random_state=random_state),
+            "XGBoost": xgb.XGBClassifier(eval_metric="logloss",random_state=random_state,),
+            "KNN": KNeighborsClassifier(n_neighbors=5),
+            "Naive Bayes": GaussianNB(),
+            "Linear Discriminant Analysis": LinearDiscriminantAnalysis(),
+            "AdaBoost":  AdaBoostClassifier(algorithm='SAMME', random_state=random_state),
+            # "LightGBM": lgb.LGBMClassifier(random_state=random_state, class_weight=class_weight),
+            "CatBoost": cb.CatBoostClassifier(verbose=0, random_state=random_state),
+            "Extra Trees": ExtraTreesClassifier(random_state=random_state, class_weight=class_weight),
+            "Bagging": BaggingClassifier(random_state=random_state),
+            "Neural Network": MLPClassifier(max_iter=500, random_state=random_state),
+            "DecisionTree": DecisionTreeClassifier(),
+            "Quadratic Discriminant Analysis": QuadraticDiscriminantAnalysis(),
+            "Ridge": RidgeClassifierCV(class_weight=class_weight, store_cv_results=True),
+            "Perceptron": Perceptron(random_state=random_state),
+            "Bernoulli Naive Bayes": BernoulliNB(),
+            "SGDClassifier": SGDClassifier(random_state=random_state), 
+        }
+    elif purpose == "regression":
+        model_ = {
+            "Random Forest": RandomForestRegressor(random_state=random_state),
+            "SVM": SVR(),# SVR (Support Vector Regression)
+            # "Lasso": Lasso(random_state=random_state), # 它和LassoCV相同(必须要提供alpha参数),
+            "LassoCV": LassoCV(cv=cv_folds, random_state=random_state),#LassoCV自动找出最适alpha,优于Lasso
+            "Gradient Boosting": GradientBoostingRegressor(random_state=random_state),
+            "XGBoost": xgb.XGBRegressor(eval_metric="rmse",random_state=random_state),
+            "Linear Regression": LinearRegression(),
+            "Lasso": Lasso(random_state=random_state),
+            "AdaBoost": AdaBoostRegressor(random_state=random_state),
+            # "LightGBM": lgb.LGBMRegressor(random_state=random_state),
+            "CatBoost": cb.CatBoostRegressor(verbose=0, random_state=random_state),
+            "Extra Trees": ExtraTreesRegressor(random_state=random_state),
+            "Bagging": BaggingRegressor(random_state=random_state),
+            "Neural Network": MLPRegressor(max_iter=500, random_state=random_state),
+            "ElasticNet": ElasticNet(random_state=random_state),
+            "Ridge": Ridge(), 
+            "KNN":KNeighborsRegressor()
+        }
+    # indicate cls: 
+    if ips.run_once_within(30):# 10 min
+        print(f"supported models: {list(model_.keys())}")
+    if cls is None:
+        models=model_
+    else:
+        if not isinstance(cls, list):
+            cls=[cls]
+        models={}
+        for cls_ in cls: 
+            cls_ = ips.strcmp(cls_, list(model_.keys()))[0]
+            models[cls_] = model_[cls_]
+    if 'LightGBM' in models:
+        x_train=ips.df_special_characters_cleaner(x_train)
+        x_true=ips.df_special_characters_cleaner(x_true) if x_true is not None else None
+
+    if isinstance(y_train, str) and y_train in x_train.columns: 
+        y_train_col_name=y_train
+        y_train=x_train[y_train]
+        y_train=ips.df_encoder(pd.DataFrame(y_train),method='dummy')
+        x_train = x_train.drop(y_train_col_name,axis=1)
+    else:
+        y_train=ips.df_encoder(pd.DataFrame(y_train),method='dummy').values.ravel()
+
+    if x_true is None:
+        x_train, x_true, y_train, y_true = train_test_split(
+            x_train, 
+            y_train, 
+            test_size=test_size, 
+            random_state=random_state, 
+            stratify=y_train if purpose == "classification" else None
+        )
+        if isinstance(y_train, str) and y_train in x_train.columns: 
+            y_train_col_name=y_train
+            y_train=x_train[y_train]
+            y_train=ips.df_encoder(pd.DataFrame(y_train),method='dummy')
+            x_train = x_train.drop(y_train_col_name,axis=1)
+        else:
+            y_train=ips.df_encoder(pd.DataFrame(y_train),method='dummy').values.ravel()
+    if y_true is not None:
+        if isinstance(y_true, str) and y_true in x_true.columns: 
+            y_true_col_name=y_true
+            y_true=x_true[y_true]
+            y_true=ips.df_encoder(pd.DataFrame(y_true),method='dummy')
+            x_true = x_true.drop(y_true_col_name,axis=1)
+        else:
+            y_true=ips.df_encoder(pd.DataFrame(y_true),method='dummy').values.ravel()
+
+    # to convert the 2D to 1D: 2D column-vector format (like [[1], [0], [1], ...]) instead of a 1D array ([1, 0, 1, ...]
+    y_train=y_train.values.ravel() if y_train is not None else None
+    y_true=y_true.values.ravel() if y_true is not None else None
+    
+    # Ensure common features are selected
+    if common_features is not None:
+        x_train, x_true = x_train[common_features], x_true[common_features]
+    else:
+        share_col_names = ips.shared(x_train.columns, x_true.columns,verbose=verbose)
+        x_train, x_true =x_train[share_col_names], x_true[share_col_names]
+
+    x_train, x_true = ips.df_scaler(x_train), ips.df_scaler(x_true)
+    x_train, x_true = ips.df_encoder(x_train, method="dummy"), ips.df_encoder(
+        x_true, method="dummy"
+    )
+
+    # Handle class imbalance using SMOTE (only for classification)
+    if (
+        smote
+        and purpose == "classification"
+        and y_train.value_counts(normalize=True).max() < 0.8
+    ):
+        from imblearn.over_sampling import SMOTE
+
+        smote_sampler = SMOTE(random_state=random_state)
+        x_train, y_train = smote_sampler.fit_resample(x_train, y_train)
+
+    # Hyperparameter grids for tuning
+    if cv_level in ["low",'simple','s','l']:
+        param_grids = {
+            "Random Forest": {
+                "n_estimators": [100],  # One basic option
+                "max_depth": [None, 10],
+                "min_samples_split": [2],
+                "min_samples_leaf": [1],
+                "class_weight": [None],
+            } if purpose == "classification" else {
+                "n_estimators": [100],  # One basic option
+                "max_depth": [None, 10],
+                "min_samples_split": [2],
+                "min_samples_leaf": [1],
+                "max_features": [None],
+                "bootstrap": [True],       # Only one option for simplicity
+            },
+            "SVM": {
+                "C": [1],
+                "gamma": ['scale'],
+                "kernel": ['rbf'],
+            },
+            "Lasso": {
+                "alpha": [0.1],
+            },
+            "LassoCV": {
+                "alphas": [[0.1]],
+            },
+            "Logistic Regression": {
+                "C": [1],
+                "solver": ['lbfgs'],
+                "penalty": ['l2'],
+                "max_iter": [500],
+            },
+            "Gradient Boosting": {
+                "n_estimators": [100],
+                "learning_rate": [0.1],
+                "max_depth": [3],
+                "min_samples_split": [2],
+                "subsample": [0.8],
+            },
+            "XGBoost": {
+                "n_estimators": [100],
+                "max_depth": [3],
+                "learning_rate": [0.1],
+                "subsample": [0.8],
+                "colsample_bytree": [0.8],
+            },
+            "KNN": {
+                "n_neighbors": [3],
+                "weights": ['uniform'],
+                "algorithm": ['auto'],
+                "p": [2],
+            } if purpose == 'classification' else {
+                'n_neighbors': [3],
+                'weights': ['uniform'],
+                'metric': ['euclidean'],
+                'leaf_size': [30],
+                'p': [2],
+            },
+            "Naive Bayes": {
+                "var_smoothing": [1e-9],
+            },
+            "SVR": {
+                "C": [1],
+                "gamma": ['scale'],
+                "kernel": ['rbf'],
+            },
+            "Linear Regression": {
+                "fit_intercept": [True],
+            },
+            "Extra Trees": {
+                "n_estimators": [100],
+                "max_depth": [None, 10],
+                "min_samples_split": [2],
+                "min_samples_leaf": [1],
+            },
+            "CatBoost": {
+                "iterations": [100],
+                "learning_rate": [0.1],
+                "depth": [3],
+                "l2_leaf_reg": [1],
+            },
+            "LightGBM": {
+                "n_estimators": [100],
+                "num_leaves": [31],
+                "max_depth": [10],
+                'min_data_in_leaf': [20],
+                'min_gain_to_split': [0.01],
+                'scale_pos_weight': [10],
+            },
+            "Bagging": {
+                "n_estimators": [50],
+                "max_samples": [0.7],
+                "max_features": [0.7],
+            },
+            "Neural Network": {
+                "hidden_layer_sizes": [(50,)],
+                "activation": ["relu"],
+                "solver": ["adam"],
+                "alpha": [0.0001],
+            },
+            "Decision Tree": {
+                "max_depth": [None, 10],
+                "min_samples_split": [2],
+                "min_samples_leaf": [1],
+                "criterion": ["gini"],
+            },
+            "AdaBoost": {
+                "n_estimators": [50],
+                "learning_rate": [0.5],
+            },
+            "Linear Discriminant Analysis": {
+                "solver": ["svd"],
+                "shrinkage": [None],
+            },
+            "Quadratic Discriminant Analysis": {
+                'reg_param': [0.0],
+                'priors': [None],
+                'tol': [1e-4],
+            },
+            "Ridge": {'class_weight': [None, 'balanced']} if purpose == "classification" else {
+                'alpha': [0.1, 1, 10],
+            },
+            "Perceptron": {
+                'alpha': [1e-3],
+                'penalty': ['l2'],
+                'max_iter': [1000],
+                'eta0': [1.0],
+            },
+            "Bernoulli Naive Bayes": {
+                'alpha': [0.1, 1, 10],
+                'binarize': [0.0],
+                'fit_prior': [True],
+            },
+            "SGDClassifier": {
+                'eta0': [0.01],
+                'loss': ['hinge'],
+                'penalty': ['l2'],
+                'alpha': [1e-3],
+                'max_iter': [1000],
+                'tol': [1e-3],
+                'random_state': [random_state],
+                'learning_rate': ['constant'],
+            },
+        }
+    elif cv_level in ['high','advanced','h']:
+        param_grids = { 
+            "Random Forest": {
+                            "n_estimators": [100, 200, 500, 700, 1000],
+                            "max_depth": [None, 3, 5, 10, 15, 20, 30],
+                            "min_samples_split": [2, 5, 10, 20],
+                            "min_samples_leaf": [1, 2, 4],
+                            "class_weight": [None, "balanced"] if purpose == "classification" else {},
+                        } if purpose == "classification" else {
+                            "n_estimators": [100, 200, 500, 700, 1000],
+                            "max_depth": [None, 3, 5, 10, 15, 20, 30],
+                            "min_samples_split": [2, 5, 10, 20],
+                            "min_samples_leaf": [1, 2, 4],
+                            "max_features": ['auto', 'sqrt', 'log2'],  # Number of features to consider when looking for the best split
+                            "bootstrap": [True, False],             # Whether bootstrap samples are used when building trees
+                            },
+            "SVM": {
+                    "C": [0.001, 0.01, 0.1, 1, 10, 100, 1000],
+                    "gamma": ["scale", "auto", 0.001, 0.01, 0.1],
+                    "kernel": ["linear", "rbf", "poly"],
+                },
+            "Logistic Regression": {
+                                    "C": [0.001, 0.01, 0.1, 1, 10, 100, 1000],
+                                    "solver": ["liblinear", "saga", "newton-cg", "lbfgs"],
+                                    "penalty": ["l1", "l2", "elasticnet"],
+                                    "max_iter": [100, 200, 300, 500],
+                },
+            "Lasso":{
+                    "alpha": [0.0001, 0.001, 0.01, 0.1, 1.0, 10.0, 100.0],
+                    "max_iter": [500, 1000, 2000, 5000],
+                    "tol": [1e-4, 1e-5, 1e-6],
+                    "selection": ["cyclic", "random"]
+                },
+            "LassoCV":{
+                        "alphas": [[0.0001, 0.001, 0.01, 0.1, 1.0, 10.0, 100.0]],
+                        "max_iter": [500, 1000, 2000, 5000],
+                        "cv": [3, 5, 10],
+                        "tol": [1e-4, 1e-5, 1e-6]
+                    },
+            "Gradient Boosting": {
+                                "n_estimators": [100, 200, 300, 400, 500, 700, 1000],
+                                "learning_rate": [0.001, 0.01, 0.1, 0.2, 0.3, 0.5],
+                                "max_depth": [3, 5, 7, 9, 15],
+                                "min_samples_split": [2, 5, 10, 20],
+                                "subsample": [0.8, 1.0],
+                },
+            "XGBoost": {
+                        "n_estimators": [100, 200, 500, 700],
+                        "max_depth": [3, 5, 7, 10],
+                        "learning_rate": [0.01, 0.1, 0.2, 0.3],
+                        "subsample": [0.8, 1.0],
+                        "colsample_bytree": [0.8, 0.9, 1.0],
+                },
+            "KNN": {
+                "n_neighbors": [1, 3, 5, 10, 15, 20],
+                "weights": ["uniform", "distance"],
+                "algorithm": ["auto", "ball_tree", "kd_tree", "brute"],
+                "p": [1, 2],  # 1 for Manhattan, 2 for Euclidean distance
+                } if purpose=='classification' else {
+                    'n_neighbors': [3, 5, 7, 9, 11],  # Number of neighbors
+                    'weights': ['uniform', 'distance'],  # Weight function used in prediction
+                    'metric': ['euclidean', 'manhattan', 'minkowski'],  # Distance metric
+                    'leaf_size': [20, 30, 40, 50],  # Leaf size for KDTree or BallTree algorithms
+                    'p': [1, 2]  # Power parameter for the Minkowski metric (1 = Manhattan, 2 = Euclidean)
+                    },
+            "Naive Bayes": {
+                "var_smoothing": [1e-10, 1e-9, 1e-8, 1e-7],
+                },
+            "AdaBoost": {
+                        "n_estimators": [50, 100, 200, 300, 500],
+                        "learning_rate": [0.001, 0.01, 0.1, 0.5, 1.0],
+                },
+            "SVR": {
+                    "C": [0.01, 0.1, 1, 10, 100, 1000],
+                    "gamma": [0.001, 0.01, 0.1, "scale", "auto"],
+                    "kernel": ["linear", "rbf", "poly"],
+                },
+            "Linear Regression": {
+                "fit_intercept": [True, False],
+                },
+            "Lasso":{
+                "alpha": [0.001, 0.01, 0.1, 1.0, 10.0, 100.0],
+                "max_iter": [1000, 2000]  # Higher iteration limit for fine-tuning
+                },
+            "Extra Trees": {
+                "n_estimators": [100, 200, 500, 700, 1000],
+                "max_depth": [None, 5, 10, 15, 20, 30],
+                "min_samples_split": [2, 5, 10, 20],
+                "min_samples_leaf": [1, 2, 4]
+                },
+            "CatBoost": {
+                "iterations": [100, 200, 500],
+                "learning_rate": [0.001, 0.01, 0.1, 0.2],
+                "depth": [3, 5, 7, 10],
+                "l2_leaf_reg": [1, 3, 5, 7, 10],
+                "border_count": [32, 64, 128],
+                },
+            "LightGBM": {
+                "n_estimators": [100, 200, 500, 700, 1000],
+                "learning_rate": [0.001, 0.01, 0.1, 0.2],
+                "num_leaves": [31, 50, 100, 200],
+                "max_depth": [-1, 5, 10, 20, 30],
+                "min_child_samples": [5, 10, 20],
+                "subsample": [0.8, 1.0],
+                "colsample_bytree": [0.8, 0.9, 1.0],
+                },
+            "Neural Network": {
+                "hidden_layer_sizes": [(50,), (100,), (100, 50), (200, 100)],
+                "activation": ["relu", "tanh", "logistic"],
+                "solver": ["adam", "sgd", "lbfgs"],
+                "alpha": [0.0001, 0.001, 0.01],
+                "learning_rate": ["constant", "adaptive"],
+                },
+            "Decision Tree": {
+                "max_depth": [None, 5, 10, 20, 30],
+                "min_samples_split": [2, 5, 10, 20],
+                "min_samples_leaf": [1, 2, 5, 10],
+                "criterion": ["gini", "entropy"],
+                "splitter": ["best", "random"],
+                }, 
+            "Linear Discriminant Analysis": {
+                "solver": ["svd", "lsqr", "eigen"],
+                "shrinkage": [None, "auto", 0.1, 0.5, 1.0],  # shrinkage levels for 'lsqr' and 'eigen'
+                },
+            'Ridge': {'class_weight': [None, 'balanced']} if purpose == "classification" else {
+                'alpha': [0.1, 1, 10, 100, 1000],
+                'solver': ['auto', 'svd', 'cholesky', 'lsqr', 'lbfgs'],
+                'fit_intercept': [True, False],  # Whether to calculate the intercept
+                'normalize': [True, False]  # If True, the regressors X will be normalized
+                }
+            }
+    else: # median level
+        param_grids = { 
+            "Random Forest": {
+                "n_estimators": [100, 200, 500],
+                "max_depth": [None, 10, 20, 30],
+                "min_samples_split": [2, 5, 10],
+                "min_samples_leaf": [1, 2, 4],
+                "class_weight": [None, "balanced"]
+                } if purpose == "classification" else {
+                        "n_estimators": [100, 200, 500],
+                        "max_depth": [None, 10, 20, 30],
+                        "min_samples_split": [2, 5, 10],
+                        "min_samples_leaf": [1, 2, 4],
+                        "max_features": ['auto', 'sqrt', 'log2'],  # Number of features to consider when looking for the best split
+                        "bootstrap": [True, False],             # Whether bootstrap samples are used when building trees
+                        },
+            "SVM": {
+                "C": [0.1, 1, 10, 100],  # Regularization strength
+                "gamma": ['scale', 'auto'],  # Common gamma values
+                "kernel": ['rbf', 'linear', 'poly'],
+            },
+            "Logistic Regression": {
+                "C": [0.1, 1, 10, 100],  # Regularization strength
+                "solver": ['lbfgs', 'liblinear', 'saga'],  # Common solvers
+                "penalty": ['l2'],  # L2 penalty is most common
+                "max_iter": [500, 1000, 2000],  # Increased max_iter for better convergence
+            },
+            "Lasso":{
+                "alpha": [0.001, 0.01, 0.1, 1.0, 10.0, 100.0],
+                "max_iter": [500, 1000, 2000]
+            },
+            "LassoCV":{
+                "alphas": [[0.001, 0.01, 0.1, 1.0, 10.0, 100.0]],
+                "max_iter": [500, 1000, 2000]
+            },
+            "Gradient Boosting": {
+                "n_estimators": [100, 200, 500],
+                "learning_rate": [0.01, 0.1, 0.2],
+                "max_depth": [3, 5, 7],
+                "min_samples_split": [2, 5, 10],
+                "subsample": [0.8, 1.0],
+            },
+            "XGBoost": {
+                "n_estimators": [100, 200, 500],
+                "max_depth": [3, 5, 7],
+                "learning_rate": [0.01, 0.1, 0.2],
+                "subsample": [0.8, 1.0],
+                "colsample_bytree": [0.8, 1.0],
+            },
+            "KNN": {
+                "n_neighbors": [3, 5, 7, 10],
+                "weights": ['uniform', 'distance'],
+                "algorithm": ['auto', 'ball_tree', 'kd_tree', 'brute'],
+                "p": [1, 2],
+                } if purpose=='classification' else {
+                    'n_neighbors': [3, 5, 7, 9, 11],  # Number of neighbors
+                    'weights': ['uniform', 'distance'],  # Weight function used in prediction
+                    'metric': ['euclidean', 'manhattan', 'minkowski'],  # Distance metric
+                    'leaf_size': [20, 30, 40, 50],  # Leaf size for KDTree or BallTree algorithms
+                    'p': [1, 2]  # Power parameter for the Minkowski metric (1 = Manhattan, 2 = Euclidean)
+                    },
+            "Naive Bayes": {
+                "var_smoothing": [1e-9, 1e-8, 1e-7],
+            },
+            "SVR": {
+                "C": [0.1, 1, 10, 100],
+                "gamma": ['scale', 'auto'],
+                "kernel": ['rbf', 'linear'],
+            },
+            "Linear Regression": {
+                "fit_intercept": [True, False],
+            },
+            "Lasso": {
+                "alpha": [0.1, 1.0, 10.0],
+                "max_iter": [1000, 2000],  # Sufficient iterations for convergence
+            },
+            "Extra Trees": {
+                "n_estimators": [100, 200, 500],
+                "max_depth": [None, 10, 20, 30],
+                "min_samples_split": [2, 5, 10],
+                "min_samples_leaf": [1, 2, 4],
+            },
+            "CatBoost": {
+                "iterations": [100, 200],
+                "learning_rate": [0.01, 0.1],
+                "depth": [3, 6, 10],
+                "l2_leaf_reg": [1, 3, 5, 7],
+            },
+            "LightGBM": {
+                "n_estimators": [100, 200, 500],
+                "learning_rate": [0.01, 0.1],
+                "num_leaves": [31, 50, 100],
+                "max_depth": [-1, 10, 20],
+                'min_data_in_leaf': [20],     # Minimum samples in each leaf
+                'min_gain_to_split': [0.01],  # Minimum gain to allow a split
+                'scale_pos_weight': [10],     # Address class imbalance
+            }, 
+            "Bagging": {
+                "n_estimators": [10, 50, 100],
+                "max_samples": [0.5, 0.7, 1.0],
+                "max_features": [0.5, 0.7, 1.0],
+            },
+            "Neural Network": {
+                "hidden_layer_sizes": [(50,), (100,), (100, 50)],
+                "activation": ["relu", "tanh"],
+                "solver": ["adam", "sgd"],
+                "alpha": [0.0001, 0.001],
+            },
+            "Decision Tree": {
+                "max_depth": [None, 10, 20],
+                "min_samples_split": [2, 10],
+                "min_samples_leaf": [1, 4],
+                "criterion": ["gini", "entropy"],
+            },
+            "AdaBoost": {
+                "n_estimators": [50, 100],
+                "learning_rate": [0.5, 1.0],
+            },
+            "Linear Discriminant Analysis": {
+                "solver": ["svd", "lsqr", "eigen"],
+                "shrinkage": [None, "auto"],
+            },            "Quadratic Discriminant Analysis":{
+                'reg_param': [0.0, 0.1, 0.5, 1.0],  # Regularization parameter
+                'priors': [None, [0.5, 0.5], [0.3, 0.7]],  # Class priors
+                'tol': [1e-4, 1e-3, 1e-2]  # Tolerance value for the convergence of the algorithm
+                }, 
+            "Perceptron":{
+                'alpha': [1e-4, 1e-3, 1e-2],  # Regularization parameter
+                'penalty': ['l2', 'l1', 'elasticnet'],  # Regularization penalty
+                'max_iter': [1000, 2000],  # Maximum number of iterations
+                'eta0': [1.0, 0.1],  # Learning rate for gradient descent
+                'tol': [1e-3, 1e-4, 1e-5],  # Tolerance for stopping criteria
+                'random_state': [random_state]  # Random state for reproducibility
+                },
+            "Bernoulli Naive Bayes":{
+                'alpha': [0.1, 1.0, 10.0],  # Additive (Laplace) smoothing parameter
+                'binarize': [0.0, 0.5, 1.0],  # Threshold for binarizing the input features
+                'fit_prior': [True, False]  # Whether to learn class prior probabilities
+                },
+            "SGDClassifier":{
+                'eta0': [0.01, 0.1, 1.0],
+                'loss': ['hinge', 'log', 'modified_huber', 'squared_hinge', 'perceptron'],  # Loss function
+                'penalty': ['l2', 'l1', 'elasticnet'],  # Regularization penalty
+                'alpha': [1e-4, 1e-3, 1e-2],  # Regularization strength
+                'l1_ratio': [0.15, 0.5, 0.85],  # L1 ratio for elasticnet penalty
+                'max_iter': [1000, 2000],  # Maximum number of iterations
+                'tol': [1e-3, 1e-4],  # Tolerance for stopping criteria
+                'random_state': [random_state],  # Random state for reproducibility
+                'learning_rate': ['constant', 'optimal', 'invscaling', 'adaptive'],  # Learning rate schedule
+                },
+            'Ridge': {'class_weight': [None, 'balanced']} if purpose == "classification" else {
+                'alpha': [0.1, 1, 10, 100],
+                'solver': ['auto', 'svd', 'cholesky', 'lsqr']  # Solver for optimization
+            }
+        }
+ 
+    results = {}
+    # Use StratifiedKFold for classification and KFold for regression
+    cv = (
+        StratifiedKFold(n_splits=cv_folds, shuffle=True, random_state=random_state)
+        if purpose == "classification"
+        else KFold(n_splits=cv_folds, shuffle=True, random_state=random_state)
+    )
+
+    # Train and validate each model
+    for name, clf in tqdm(
+                models.items(),
+                desc="models",
+                colour="green",
+                bar_format="{l_bar}{bar} {n_fmt}/{total_fmt}",
+            ):
+        if verbose:
+            print(f"\nTraining and validating {name}:")
+
+        # Grid search with KFold or StratifiedKFold
+        gs = GridSearchCV(
+            clf,
+            param_grid=param_grids.get(name, {}),
+            scoring=(
+                "roc_auc" if purpose == "classification" else "neg_mean_squared_error"
+            ),
+            cv=cv,
+            n_jobs=n_jobs,
+            verbose=verbose,
+        )
+        gs.fit(x_train, y_train)
+        best_clf = gs.best_estimator_
+        # make sure x_train and x_test has the same name
+        x_true = x_true.reindex(columns=x_train.columns, fill_value=0) 
+        y_pred = best_clf.predict(x_true)
+
+        # y_pred_proba
+        if hasattr(best_clf, "predict_proba"):
+            y_pred_proba = best_clf.predict_proba(x_true)[:, 1]
+        elif hasattr(best_clf, "decision_function"):
+            # If predict_proba is not available, use decision_function (e.g., for SVM)
+            y_pred_proba = best_clf.decision_function(x_true)
+            # Ensure y_pred_proba is within 0 and 1 bounds
+            y_pred_proba = (y_pred_proba - y_pred_proba.min()) / (
+                y_pred_proba.max() - y_pred_proba.min()
+            )
+        else:
+            y_pred_proba = None  # No probability output for certain models
+            
+        
+        validation_scores = {}
+        if y_true is not None:
+            validation_scores = cal_metrics(y_true, y_pred, y_pred_proba=y_pred_proba, purpose=purpose, average="weighted") 
+
+            # Calculate ROC curve
+            # https://scikit-learn.org/stable/auto_examples/model_selection/plot_roc.html
+            if y_pred_proba is not None:
+                # fpr, tpr, roc_auc = dict(), dict(), dict()
+                fpr, tpr, _ = roc_curve(y_true, y_pred_proba)
+                lower_ci, upper_ci = cal_auc_ci(y_true, y_pred_proba,verbose=False)
+                roc_auc = auc(fpr, tpr)
+                roc_info = {
+                    "fpr": fpr.tolist(),
+                    "tpr": tpr.tolist(),
+                    "auc": roc_auc,
+                    "ci95": (lower_ci, upper_ci),
+                }
+                # precision-recall curve
+                precision_, recall_, _ = precision_recall_curve(y_true, y_pred_proba)
+                avg_precision_ = average_precision_score(y_true, y_pred_proba)
+                pr_info = {
+                    "precision": precision_,
+                    "recall": recall_,
+                    "avg_precision": avg_precision_,
+                }
+            else:
+                roc_info, pr_info = None, None
+            if purpose=="classification":
+                results[name] = {
+                    "best_clf": gs.best_estimator_, 
+                    "best_params": gs.best_params_,
+                    "auc_indiv":[gs.cv_results_[f'split{i}_test_score'][gs.best_index_] for i in range(cv_folds)],
+                    "scores": validation_scores,
+                    "roc_curve": roc_info,
+                    "pr_curve": pr_info,
+                    "confusion_matrix": confusion_matrix(y_true, y_pred),
+                    "predictions": y_pred.tolist(),
+                    "predictions_proba": (
+                        y_pred_proba.tolist() if y_pred_proba is not None else None
+                    ),
+                }
+            else: # "regression"
+                results[name] = {
+                    "best_clf": gs.best_estimator_, 
+                    "best_params": gs.best_params_,
+                    "scores": validation_scores, # e.g., neg_MSE, R², etc. 
+                    "predictions": y_pred.tolist(),
+                    "predictions_proba": (
+                        y_pred_proba.tolist() if y_pred_proba is not None else None
+                    ),
+                }
+
+        else:
+            results[name] = {
+                "best_clf": gs.best_estimator_, 
+                "best_params": gs.best_params_,
+                "scores": validation_scores, 
+                "predictions": y_pred.tolist(),
+                "predictions_proba": (
+                    y_pred_proba.tolist() if y_pred_proba is not None else None
+                ),
+            }
+
+    # Convert results to DataFrame
+    df_results = pd.DataFrame.from_dict(results, orient="index")
+
+    # sort
+    if y_true is not None and purpose=="classification":
+        df_scores = pd.DataFrame(
+                df_results["scores"].tolist(), index=df_results["scores"].index
+            ).sort_values(by="roc_auc", ascending=False)
+        df_results=df_results.loc[df_scores.index]
+
+        if plot_:
+            nexttile=plot.subplot(figsize=[12, 10])
+            plot.heatmap(df_scores, kind="direct",ax=nexttile())
+            plot.figsets(xangle=30)
+            if dir_save:
+                ips.figsave(dir_save+"scores_sorted_heatmap.pdf")
+            plot.heatmap(df_scores, kind="direct",cluster=True)
+            plot.figsets(xangle=30)
+            if dir_save:
+                ips.figsave(dir_save+"scores_clus.pdf")
+    if all([plot_, y_true is not None, purpose=='classification']):
+        try:
+            if len(models)>3:
+                plot_validate_features(df_results)
+            else:
+                plot_validate_features_single(df_results,figsize=(12,4*len(models)))
+            if dir_save:
+                ips.figsave(dir_save+"validate_features.pdf")
+        except Exception as e:
+            print(f"Error: 在画图的过程中出现了问题:{e}")
+    return df_results
+
+
+def cal_metrics(y_true, y_pred, y_pred_proba=None, purpose="regression", average="weighted"):
+    """
+    Calculate regression or classification metrics based on the purpose.
+    
+    Parameters:
+    - y_true: Array of true values.
+    - y_pred: Array of predicted labels for classification or predicted values for regression.
+    - y_pred_proba: Array of predicted probabilities for classification (optional).
+    - purpose: str, "regression" or "classification".
+    - average: str, averaging method for multi-class classification ("binary", "micro", "macro", "weighted", etc.).
+    
+    Returns:
+    - validation_scores: dict of computed metrics.
+    """
+    from sklearn.metrics import (
+            mean_squared_error,
+            mean_absolute_error,
+            mean_absolute_percentage_error,
+            explained_variance_score,
+            r2_score,
+            mean_squared_log_error,
+            accuracy_score,
+            precision_score,
+            recall_score,
+            f1_score,
+            roc_auc_score,
+            matthews_corrcoef,
+            confusion_matrix,
+            balanced_accuracy_score,
+            average_precision_score,
+            precision_recall_curve
+        )
+    validation_scores = {}
+
+    if purpose == "regression":
+        y_true = np.asarray(y_true)
+        y_true = y_true.ravel()
+        y_pred = np.asarray(y_pred) 
+        y_pred = y_pred.ravel()
+        # Regression metrics
+        validation_scores = {
+            "mse": mean_squared_error(y_true, y_pred),
+            "rmse": np.sqrt(mean_squared_error(y_true, y_pred)),
+            "mae": mean_absolute_error(y_true, y_pred),
+            "r2": r2_score(y_true, y_pred),
+            "mape": mean_absolute_percentage_error(y_true, y_pred),
+            "explained_variance": explained_variance_score(y_true, y_pred),
+            "mbd": np.mean(y_pred - y_true)  # Mean Bias Deviation
+        }
+        # Check if MSLE can be calculated
+        if np.all(y_true >= 0) and np.all(y_pred >= 0):  # Ensure no negative values
+            validation_scores["msle"] = mean_squared_log_error(y_true, y_pred)
+        else:
+            validation_scores["msle"] = "Cannot be calculated due to negative values"
+
+    elif purpose == "classification":
+        # Classification metrics
+        validation_scores = {
+            "accuracy": accuracy_score(y_true, y_pred),
+            "precision": precision_score(y_true, y_pred, average=average),
+            "recall": recall_score(y_true, y_pred, average=average),
+            "f1": f1_score(y_true, y_pred, average=average),
+            "mcc": matthews_corrcoef(y_true, y_pred),
+            "specificity": None, 
+            "balanced_accuracy": balanced_accuracy_score(y_true, y_pred)
+        }
+
+        # Confusion matrix to calculate specificity
+        tn, fp, fn, tp = confusion_matrix(y_true, y_pred).ravel()
+        validation_scores["specificity"] = tn / (tn + fp) if (tn + fp) > 0 else 0  # Specificity calculation
+
+        if y_pred_proba is not None: 
+            # Calculate ROC-AUC
+            validation_scores["roc_auc"] = roc_auc_score(y_true, y_pred_proba)  
+            # PR-AUC (Precision-Recall AUC) calculation
+            validation_scores["pr_auc"] = average_precision_score(y_true, y_pred_proba)
+    else:
+        raise ValueError("Invalid purpose specified. Choose 'regression' or 'classification'.")
+
+    return validation_scores
+