import streamlit as st import pandas as pd import numpy as np from sklearn.model_selection import train_test_split, cross_val_score, GridSearchCV, RandomizedSearchCV from sklearn.ensemble import RandomForestClassifier, GradientBoostingClassifier, RandomForestRegressor, GradientBoostingRegressor from sklearn.tree import DecisionTreeClassifier, DecisionTreeRegressor from sklearn.svm import SVC, SVR from sklearn.linear_model import LogisticRegression, LinearRegression, Ridge, ElasticNet from sklearn.neighbors import KNeighborsClassifier, KNeighborsRegressor from sklearn.naive_bayes import GaussianNB from sklearn.preprocessing import StandardScaler, MinMaxScaler, LabelEncoder from sklearn.impute import SimpleImputer from sklearn.metrics import accuracy_score, classification_report, confusion_matrix, roc_auc_score, f1_score # Import advanced models import xgboost as xgb import lightgbm as lgb import catboost as cb import shap import matplotlib.pyplot as plt import seaborn as sns import joblib import io import base64 from datetime import datetime import warnings import featuretools as ft # Added featuretools import warnings.filterwarnings('ignore') # Page configuration st.set_page_config( page_title="AutoML + Explainability Platform", page_icon="🤖", layout="wide", initial_sidebar_state="expanded" ) # Custom CSS for better styling st.markdown(""" """, unsafe_allow_html=True) # --- Helper Functions --- def display_error(e, context="An unexpected error occurred"): """Displays a user-friendly error message.""" st.error(f"😕 Oops! Something went wrong. {context}. Please check your inputs or the data format.") st.error(f"Details: {str(e)}") # Optionally, log the full traceback for debugging, but don't show it to the user by default # import traceback # st.expander("See Full Error Traceback").error(traceback.format_exc()) def get_model_metrics(y_true, y_pred, y_proba=None, problem_type='Classification'): metrics = {} if problem_type == "Classification": metrics['Accuracy'] = accuracy_score(y_true, y_pred) metrics['F1-score'] = f1_score(y_true, y_pred, average='weighted') if y_proba is not None and len(np.unique(y_true)) == 2: # AUC for binary classification try: metrics['AUC'] = roc_auc_score(y_true, y_proba[:, 1]) except ValueError: metrics['AUC'] = None # Handle cases where AUC cannot be computed else: metrics['AUC'] = None elif problem_type == "Regression": from sklearn.metrics import r2_score, mean_squared_error metrics['R2'] = r2_score(y_true, y_pred) metrics['MSE'] = mean_squared_error(y_true, y_pred) # Add other regression metrics if desired, e.g., MAE return metrics # --- Session State Initialization --- def init_session_state(): defaults = { 'data': None, 'target_column': None, 'problem_type': None, 'models': {}, 'model_scores': {}, 'best_model_info': None, 'X_train': None, 'X_test': None, 'y_train': None, 'y_test': None, 'le_dict': {}, 'scaler': None, 'trained_pipeline': None } for key, value in defaults.items(): if key not in st.session_state: st.session_state[key] = value # --- Page Functions --- def data_upload_page(): st.header("📁 Data Upload & Preview") upload_option = st.radio( "Select data upload method:", ('Single File (auto-split train/test)', 'Separate Train and Test Files'), key='upload_option' ) uploaded_file = None uploaded_train_file = None uploaded_test_file = None if upload_option == 'Single File (auto-split train/test)': uploaded_file = st.file_uploader( "Choose a CSV or Excel file", type=['csv', 'xlsx', 'xls'], help="Upload your dataset. It will be split into training and testing sets.", key='single_file_uploader' ) else: uploaded_train_file = st.file_uploader( "Choose a Training CSV or Excel file", type=['csv', 'xlsx', 'xls'], help="Upload your training dataset.", key='train_file_uploader' ) uploaded_test_file = st.file_uploader( "Choose a Testing CSV or Excel file (Optional)", type=['csv', 'xlsx', 'xls'], help="Upload your testing dataset. If not provided, the training data will be split.", key='test_file_uploader' ) df = None df_train = None df_test = None if uploaded_file: try: df = pd.read_csv(uploaded_file) if uploaded_file.name.endswith('.csv') else pd.read_excel(uploaded_file) st.session_state.data = df st.session_state.train_data = None # Clear separate train/test if single is uploaded st.session_state.test_data = None st.session_state.target_column = None st.session_state.problem_type = None st.session_state.source_data_type = 'single' except Exception as e: display_error(e, "Failed to read the uploaded single file") return elif uploaded_train_file: try: df_train = pd.read_csv(uploaded_train_file) if uploaded_train_file.name.endswith('.csv') else pd.read_excel(uploaded_train_file) st.session_state.train_data = df_train st.session_state.data = df_train # Use train_data as primary for column selection initially df = df_train # for common processing below st.session_state.target_column = None st.session_state.problem_type = None st.session_state.source_data_type = 'separate' if uploaded_test_file: df_test = pd.read_csv(uploaded_test_file) if uploaded_test_file.name.endswith('.csv') else pd.read_excel(uploaded_test_file) st.session_state.test_data = df_test else: st.session_state.test_data = None # Explicitly set to None except Exception as e: display_error(e, "Failed to read the uploaded train/test files") return if df is not None: try: # Common processing for df (either single or train_df) st.subheader("Data Overview" + (" (Training Data)" if st.session_state.get('source_data_type') == 'separate' else "")) st.subheader("Data Overview") col1, col2, col3 = st.columns(3) col1.metric("Rows", df.shape[0]) col2.metric("Columns", df.shape[1]) col3.metric("Missing Values", df.isnull().sum().sum()) st.subheader("Data Preview (First 10 rows)") st.dataframe(df.head(10), use_container_width=True) st.subheader("Column Information") info_df = pd.DataFrame({ 'Column': df.columns, 'Data Type': df.dtypes.astype(str), 'Non-Null Count': df.count(), 'Null Count': df.isnull().sum(), 'Unique Values': df.nunique() }).reset_index(drop=True) st.dataframe(info_df, use_container_width=True) st.subheader("🎯 Target Column Selection") common_target_names = ['target', 'Target', 'label', 'Label', 'class', 'Class', 'Output', 'output', 'result', 'Result'] detected_target = None df_columns = df.columns.tolist() for col_name in common_target_names: if col_name in df_columns: detected_target = col_name break target_options = [None] + df_columns target_index = 0 if detected_target: try: target_index = target_options.index(detected_target) except ValueError: target_index = 0 # Should not happen if detected_target is in df_columns target_column = st.selectbox( "Select the target column (what you want to predict):", options=target_options, index=target_index, help="Choose the dependent variable. Common names are auto-detected." ) auto_run_training = st.checkbox("Automatically start training when target is selected/detected?", value=False, key='auto_run_cb') if target_column: st.session_state.target_column = target_column target_series = df[target_column] # Determine problem type if target_series.nunique() <= 2 or (target_series.dtype == 'object' and target_series.nunique() <=10) : st.session_state.problem_type = "Classification" if target_series.dtype == 'object': le = LabelEncoder() df[target_column] = le.fit_transform(target_series) st.session_state.le_dict[target_column] = le # Store encoder for target elif pd.api.types.is_numeric_dtype(target_series): st.session_state.problem_type = "Regression" else: st.session_state.problem_type = "Unsupported Target Type" st.error("The selected target column has an unsupported data type. Please choose a numeric column for regression or a categorical/binary column for classification.") return st.success(f"Target column '{target_column}' selected. Problem Type: {st.session_state.problem_type}") if st.session_state.get('source_data_type') == 'separate' and st.session_state.test_data is not None: st.subheader("Test Data Overview") col1_test, col2_test, col3_test = st.columns(3) col1_test.metric("Test Rows", st.session_state.test_data.shape[0]) col2_test.metric("Test Columns", st.session_state.test_data.shape[1]) col3_test.metric("Test Missing Values", st.session_state.test_data.isnull().sum().sum()) st.dataframe(st.session_state.test_data.head(5), use_container_width=True) if target_column not in st.session_state.test_data.columns: st.error(f"The target column '{target_column}' was not found in your uploaded test data. Please ensure the column names match exactly between your training and testing datasets.") return # Stop further processing if target is missing in test data st.subheader(f"Target Column Distribution (in {'Training Data' if st.session_state.get('source_data_type') == 'separate' else 'Uploaded Data'}): {target_column}") if st.session_state.problem_type == "Classification": fig, ax = plt.subplots() sns.countplot(x=target_series, ax=ax) st.pyplot(fig) else: fig, ax = plt.subplots() sns.histplot(target_series, kde=True, ax=ax) st.pyplot(fig) except Exception as e: display_error(e, "An error occurred while reading or performing initial processing on the file") if auto_run_training and st.session_state.target_column: st.session_state.auto_run_triggered = True st.experimental_rerun() # Rerun to switch page or trigger training except Exception as e: display_error(e, "An error occurred during data processing and analysis") else: st.info("👆 Please upload a CSV or Excel file (or separate train/test files) to get started.") # Add a checkbox for enabling feature engineering in the sidebar or a relevant section # This might be better placed in the model_training_page or a new 'Feature Engineering' page/section # For now, let's assume we add it to the model_training_page configuration area. def preprocess_data(df, target_column, perform_feature_engineering=False): X = df.drop(columns=[target_column]) y = df[target_column].copy() # Use .copy() to avoid SettingWithCopyWarning # --- Existing Imputation Logic for Target (y) --- if y.isnull().any(): if st.session_state.problem_type == "Classification": y_imputer = SimpleImputer(strategy='most_frequent') y[:] = y_imputer.fit_transform(y.values.reshape(-1, 1)).ravel() elif st.session_state.problem_type == "Regression": y_imputer = SimpleImputer(strategy='mean') y[:] = y_imputer.fit_transform(y.values.reshape(-1, 1)).ravel() st.warning(f"NaN values found and imputed in the target column '{target_column}'.") # --- Existing Imputation Logic for Features (X) --- num_imputer = SimpleImputer(strategy='mean') cat_imputer = SimpleImputer(strategy='most_frequent') num_cols = X.select_dtypes(include=np.number).columns cat_cols = X.select_dtypes(include='object').columns if len(num_cols) > 0: X[num_cols] = num_imputer.fit_transform(X[num_cols]) if len(cat_cols) > 0: X[cat_cols] = cat_imputer.fit_transform(X[cat_cols]) # --- Existing Encoding Logic for Categorical Features (X) --- le_dict_features = {} original_object_cols = X.select_dtypes(include='object').columns # Re-select after imputation for col in original_object_cols: # Iterate over original object columns that are now imputed le = LabelEncoder() X[col] = le.fit_transform(X[col].astype(str)) le_dict_features[col] = le st.session_state.le_dict.update(le_dict_features) # --- Automated Feature Engineering with Featuretools (New) --- if perform_feature_engineering: with st.spinner("Performing automated feature engineering..."): try: # Create an EntitySet es = ft.EntitySet(id='dataset') # Add the dataframe as an entity. # We need a unique index. If 'index' is not a column, reset index. if 'index' not in X.columns: X_ft = X.reset_index() entity_index = 'index' else: # if 'index' column already exists and is unique X_ft = X.copy() entity_index = 'index' if not X_ft[entity_index].is_unique: st.warning("Featuretools: 'index' column exists but is not unique. Resetting index for feature engineering.") X_ft = X.reset_index() entity_index = 'index' es = es.add_dataframe( dataframe_name='data_table', dataframe=X_ft, index=entity_index, # Ensure this column is unique # time_index='your_time_column_if_any', # Specify if you have a time index # logical_types={col: ft.variable_types.Categorical for col in cat_cols} # Optional: specify logical types ) # Run Deep Feature Synthesis (DFS) # You might want to limit trans_primitives or agg_primitives for speed feature_matrix, feature_defs = ft.dfs( entityset=es, target_dataframe_name='data_table', # agg_primitives=["mean", "sum", "mode", "std", "max", "min", "count"], # Example primitives # trans_primitives=["day", "month", "year", "weekday", "time_since_previous"], # Example primitives max_depth=1, # Keep max_depth low initially for speed verbose=0, # Set to 1 for more output n_jobs=1 # Can be set to -1 to use all cores, but might be slow in Streamlit ) st.success(f"Featuretools generated {feature_matrix.shape[1] - X_ft.shape[1]} new features.") # Featuretools might change column types (e.g., bool to int). Ensure consistency. # Also, it might re-introduce object types if not handled carefully with logical_types. # For simplicity, we'll try to convert new boolean columns to int and re-encode any new object columns. new_cols = [col for col in feature_matrix.columns if col not in X_ft.columns and col != entity_index] for col in new_cols: if feature_matrix[col].dtype == 'bool': feature_matrix[col] = feature_matrix[col].astype(int) elif feature_matrix[col].dtype == 'object': # This shouldn't happen often with default primitives if input was numeric/encoded # But if it does, re-encode le = LabelEncoder() feature_matrix[col] = le.fit_transform(feature_matrix[col].astype(str)) st.session_state.le_dict[col] = le # Store new encoder st.info(f"Featuretools created new object column '{col}', which has been label encoded.") X = feature_matrix.copy() if entity_index in X.columns and entity_index != 'index': # if original index was not 'index' X = X.drop(columns=[entity_index]) elif entity_index == 'index' and 'index' in X.columns and X.index.name == 'index': # If 'index' was created by reset_index and is now the df index, it's fine. # If 'index' is a column AND the df index, drop the column to avoid duplication. if 'index' in X.columns and X.index.name == 'index': X = X.drop(columns=['index']) st.write("Preview of data after feature engineering (first 5 rows, up to 10 columns):") st.dataframe(X.head().iloc[:, :10]) except Exception as e: st.error(f"Error during automated feature engineering: {e}") st.warning("Skipping automated feature engineering due to error.") # --- Existing Target Type Handling (y) --- # Ensure target y is correctly typed after imputation, especially for classification if st.session_state.problem_type == "Classification" and target_column in st.session_state.le_dict: pass elif st.session_state.problem_type == "Classification" and y.dtype == 'float': pass return X, y def model_training_page(): st.header("🚀 Model Training") # Check if data is available from either single upload or separate train/test upload data_available = (st.session_state.data is not None) or \ (st.session_state.train_data is not None) if not data_available or st.session_state.target_column is None: st.warning("⚠️ Please upload your data and select a target column on the 'Data Upload & Preview' page before proceeding to model training.") return if st.session_state.problem_type == "Unsupported Target Type": st.error("Cannot train models because the selected target column has an unsupported data type. Please go back and select a suitable target column.") return target = st.session_state.target_column st.subheader("Training Configuration") # --- Add Feature Engineering Checkbox Here --- perform_feature_engineering_cb = st.checkbox("Enable Automated Feature Engineering (Featuretools)", value=False, key='feature_engineering_cb', help="Automatically generate new features. This can take time and significantly increase the number of features.") st.session_state.perform_feature_engineering = perform_feature_engineering_cb col1, col2 = st.columns(2) # Disable test_size slider if separate test data is provided disable_test_size = st.session_state.get('source_data_type') == 'separate' and st.session_state.test_data is not None test_size = col1.slider("Test Size (if splitting single file)", 0.1, 0.5, 0.2, 0.05, disabled=disable_test_size) random_state = col1.number_input("Random State", value=42, min_value=0) cv_folds = col2.slider("Cross-Validation Folds", 3, 10, 5) # scale_features checkbox is replaced by a selectbox for scaling_method scaling_method_options = ["None", "StandardScaler", "MinMaxScaler"] scaling_method = col2.selectbox("Numeric Feature Scaling", options=scaling_method_options, index=1, key='scaling_method_selector') # Default to StandardScaler st.session_state.scaling_method = scaling_method # Store for use during preprocessing # Initialize session state variables if they don't exist if 'tuning_method' not in st.session_state: st.session_state.tuning_method = None if 'n_iter' not in st.session_state: st.session_state.n_iter = 50 # Default value st.subheader("Hyperparameter Tuning") enable_tuning = st.checkbox("Enable Hyperparameter Tuning", value=False) if enable_tuning: # The selectbox will automatically update st.session_state.tuning_method tuning_method_selected = st.selectbox("Select Tuning Method", ["Grid Search", "Randomized Search"], key='tuning_method') if tuning_method_selected == "Randomized Search": st.session_state.n_iter = st.number_input("Number of Iterations (for Randomized Search)", min_value=10, value=50, step=10, key='n_iter_randomized_search') else: # When tuning is disabled, explicitly set tuning_method to None st.session_state.tuning_method = None # Auto-start training if triggered start_button_pressed = st.button("🎯 Start Training", type="primary", key='manual_start_train_button') if st.session_state.get('auto_run_triggered_for_training') and not start_button_pressed: st.session_state.auto_run_triggered_for_training = False # Reset trigger start_button_pressed = True # Simulate button press st.info("🤖 Auto-training initiated...") if start_button_pressed: with st.spinner("Preprocessing data and training models..."): try: X_train, X_test, y_train, y_test = None, None, None, None if st.session_state.get('source_data_type') == 'separate' and st.session_state.train_data is not None: df_train_processed = st.session_state.train_data.copy() X_train, y_train = preprocess_data(df_train_processed, target, st.session_state.get('perform_feature_engineering', False)) if st.session_state.test_data is not None: df_test_processed = st.session_state.test_data.copy() if target not in df_test_processed.columns: st.error(f"The target column '{target}' is missing from your test dataset. Please ensure both train and test datasets have the target column with the same name. Aborting training.") return # Pass perform_feature_engineering=False for test data, as features should be derived from training data structure # or apply transforms derived from training data. For simplicity now, we don't re-run DFS on test. # A more robust approach would be to save feature definitions from training and apply to test. X_test, y_test = preprocess_data(df_test_processed, target, perform_feature_engineering=False) # Align columns after feature engineering (if it happened on train) # This is crucial if featuretools was run on X_train only if st.session_state.get('perform_feature_engineering', False): st.write("Aligning columns between training and testing sets after feature engineering...") train_cols = X_train.columns test_cols = X_test.columns # Columns in train but not in test (add them to test, fill with 0 or median/mode) for col in train_cols: if col not in test_cols: X_test[col] = 0 # Or a more sophisticated fill value # Columns in test but not in train (remove them from test) # This case is less likely if feature engineering is only on train cols_to_drop_from_test = [col for col in test_cols if col not in train_cols] if cols_to_drop_from_test: X_test = X_test.drop(columns=cols_to_drop_from_test) # Ensure order is the same X_test = X_test[train_cols] st.info(f"Test set columns aligned. X_test shape: {X_test.shape}") else: # No test file, split train_data X_train, X_test, y_train, y_test = train_test_split( X_train, y_train, test_size=test_size, random_state=random_state, stratify=(y_train if st.session_state.problem_type == "Classification" else None) ) else: # Single file upload df_processed = st.session_state.data.copy() X, y = preprocess_data(df_processed, target, st.session_state.get('perform_feature_engineering', False)) X_train, X_test, y_train, y_test = train_test_split( X, y, test_size=test_size, random_state=random_state, stratify=(y if st.session_state.problem_type == "Classification" else None) ) if X_train is None or y_train is None: st.error("The training data (features X_train, target y_train) could not be prepared. This might be due to issues in the uploaded data or preprocessing steps. Please review your data and selections.") return # Scaling should be fit on X_train and transformed on X_test current_scaling_method = st.session_state.get('scaling_method', 'StandardScaler') # Get from session state if current_scaling_method != "None": num_cols_train = X_train.select_dtypes(include=np.number).columns if len(num_cols_train) > 0: if current_scaling_method == "StandardScaler": scaler = StandardScaler() elif current_scaling_method == "MinMaxScaler": scaler = MinMaxScaler() else: scaler = None # Should not happen if scaler: X_train[num_cols_train] = scaler.fit_transform(X_train[num_cols_train]) st.session_state.scaler = scaler # Save the fitted scaler st.info(f"Numeric features in training data scaled using {current_scaling_method}.") if X_test is not None: num_cols_test = X_test.select_dtypes(include=np.number).columns # Ensure test set uses the same numeric columns in the same order as train set for scaling cols_to_scale_in_test = [col for col in num_cols_train if col in X_test.columns] if len(cols_to_scale_in_test) > 0: # Create a DataFrame with columns in the order of num_cols_train X_test_subset_for_scaling = X_test[cols_to_scale_in_test] X_test_scaled_values = scaler.transform(X_test_subset_for_scaling) X_test[cols_to_scale_in_test] = X_test_scaled_values st.info(f"Numeric features in test data scaled using {current_scaling_method}.") else: st.session_state.scaler = None # Ensure it's None if no scaling applied else: st.session_state.scaler = None # Ensure it's None if no numeric columns else: st.session_state.scaler = None # Ensure it's None if scaling_method is "None" st.session_state.update({'X_train': X_train, 'X_test': X_test, 'y_train': y_train, 'y_test': y_test}) # Define models based on problem type # Define models and their parameter grids for tuning if st.session_state.problem_type == "Classification": models_and_params = { "Logistic Regression": { 'model': LogisticRegression(random_state=random_state, max_iter=1000), 'params': {'C': [0.1, 1.0, 10.0], 'solver': ['liblinear', 'lbfgs']} }, "Decision Tree": { 'model': DecisionTreeClassifier(random_state=random_state), 'params': {'max_depth': [None, 10, 20, 30], 'min_samples_leaf': [1, 5, 10]} }, "Random Forest": { 'model': RandomForestClassifier(random_state=random_state), 'params': {'n_estimators': [100, 200], 'max_depth': [10, 20]} }, "Gradient Boosting": { 'model': GradientBoostingClassifier(random_state=random_state), 'params': {'n_estimators': [100, 200], 'learning_rate': [0.01, 0.1]} }, "XGBoost": { 'model': xgb.XGBClassifier(random_state=random_state, use_label_encoder=False, eval_metric='logloss'), 'params': {'n_estimators': [100, 200], 'learning_rate': [0.01, 0.1], 'max_depth': [3, 6]} }, "LightGBM": { 'model': lgb.LGBMClassifier(random_state=random_state), 'params': {'n_estimators': [100, 200], 'learning_rate': [0.01, 0.1], 'num_leaves': [31, 50]} }, "CatBoost": { 'model': cb.CatBoostClassifier(random_state=random_state, verbose=0), 'params': {'iterations': [100, 200], 'learning_rate': [0.01, 0.1], 'depth': [4, 6]} }, "Support Vector Machine": { 'model': SVC(random_state=random_state, probability=True), 'params': {'C': [0.1, 1.0, 10.0], 'kernel': ['linear', 'rbf']} }, "K-Nearest Neighbors": { 'model': KNeighborsClassifier(), 'params': {'n_neighbors': [3, 5, 7], 'weights': ['uniform', 'distance']} }, "Gaussian Naive Bayes": { 'model': GaussianNB(), 'params': {} } } scoring = 'accuracy' else: # Regression models_and_params = { "Linear Regression": { 'model': LinearRegression(), 'params': {} }, "Ridge Regression": { 'model': Ridge(random_state=random_state), 'params': {'alpha': [0.1, 1.0, 10.0]} }, "ElasticNet Regression": { 'model': ElasticNet(random_state=random_state), 'params': {'alpha': [0.1, 1.0, 10.0], 'l1_ratio': [0.1, 0.5, 0.9]} }, "Random Forest Regressor": { 'model': RandomForestRegressor(random_state=random_state), 'params': {'n_estimators': [100, 200], 'max_depth': [10, 20]} }, "Gradient Boosting Regressor": { 'model': GradientBoostingRegressor(random_state=random_state), 'params': {'n_estimators': [100, 200], 'learning_rate': [0.01, 0.1]} }, "XGBoost Regressor": { 'model': xgb.XGBRegressor(random_state=random_state), 'params': {'n_estimators': [100, 200], 'learning_rate': [0.01, 0.1], 'max_depth': [3, 6]} }, "LightGBM Regressor": { 'model': lgb.LGBMRegressor(random_state=random_state), 'params': {'n_estimators': [100, 200], 'learning_rate': [0.01, 0.1], 'num_leaves': [31, 50]} }, "CatBoost Regressor": { 'model': cb.CatBoostRegressor(random_state=random_state, verbose=0), 'params': {'iterations': [100, 200], 'learning_rate': [0.01, 0.1], 'depth': [4, 6]} }, "Decision Tree Regressor": { 'model': DecisionTreeRegressor(random_state=random_state), 'params': {'max_depth': [None, 10, 20, 30], 'min_samples_leaf': [1, 5, 10]} }, "Support Vector Regressor": { 'model': SVR(), 'params': {'C': [0.1, 1.0, 10.0], 'kernel': ['linear', 'rbf']} }, "K-Nearest Neighbors Regressor": { 'model': KNeighborsRegressor(), 'params': {'n_neighbors': [3, 5, 7], 'weights': ['uniform', 'distance']} } } scoring = 'r2' trained_models = {} model_scores_dict = {} progress_bar = st.progress(0) status_text = st.empty() tuning_enabled = st.session_state.get('tuning_method') is not None n_iter = st.session_state.get('n_iter', 50) # Default for Randomized Search for i, (name, model_info) in enumerate(models_and_params.items()): try: model = model_info['model'] params = model_info['params'] # Check if this is one of the newly added models is_new_model = name in ["XGBoost", "LightGBM", "CatBoost"] or name in ["XGBoost Regressor", "LightGBM Regressor", "CatBoost Regressor"] if is_new_model: status_text.text(f"Initializing {name}...") if tuning_enabled and params: status_text.text(f"Tuning {name}...") try: if st.session_state.tuning_method == "Grid Search": tuner = GridSearchCV(model, params, cv=cv_folds, scoring=scoring, n_jobs=-1) else: # Randomized Search tuner = RandomizedSearchCV(model, params, n_iter=n_iter, cv=cv_folds, scoring=scoring, random_state=random_state, n_jobs=-1) tuner.fit(X_train, y_train) best_model = tuner.best_estimator_ st.write(f"Best parameters for {name}: {tuner.best_params_}") except Exception as e: display_error(e, f"Error during hyperparameter tuning for {name}") # Skip this model and continue with the next one continue else: status_text.text(f"Training {name}...") try: best_model = model best_model.fit(X_train, y_train) except Exception as e: display_error(e, f"Error during training for {name}") # Skip this model and continue with the next one continue trained_models[name] = best_model try: y_pred_test = best_model.predict(X_test) # Handle predict_proba for classification models if st.session_state.problem_type == "Classification" and hasattr(best_model, 'predict_proba'): try: y_proba_test = best_model.predict_proba(X_test) except Exception as e: st.warning(f"Could not compute prediction probabilities for {name}: {str(e)}") y_proba_test = None else: y_proba_test = None metrics = get_model_metrics(y_test, y_pred_test, y_proba_test, problem_type=st.session_state.problem_type) # For tuned models, cross_val_score on the best_estimator_ might be redundant if tuner already did CV # But for consistency, we can still calculate it or use tuner.best_score_ try: cv_score = cross_val_score(best_model, X_train, y_train, cv=cv_folds, scoring=scoring).mean() except Exception as e: st.warning(f"Could not compute cross-validation score for {name}: {str(e)}") cv_score = float('nan') # Use NaN to indicate missing value current_model_scores = {'CV Mean Score': cv_score} current_model_scores.update(metrics) # Add all relevant metrics model_scores_dict[name] = current_model_scores if is_new_model: st.success(f"{name} trained successfully!") except Exception as e: display_error(e, f"Error during prediction or evaluation for {name}") # Skip adding this model to the scores dictionary continue except Exception as e: display_error(e, f"Unexpected error with {name}") # Skip this model entirely and continue with the next one continue progress_bar.progress((i + 1) / len(models_and_params)) st.session_state.models = trained_models st.session_state.model_scores = model_scores_dict # Determine best model if st.session_state.problem_type == "Classification": # Safely get metrics with default values if missing best_model_name = max( model_scores_dict, key=lambda k: ( model_scores_dict[k].get('Test Accuracy', 0) or 0, model_scores_dict[k].get('Test AUC', 0) or 0 ) ) else: # Regression best_model_name = max( model_scores_dict, key=lambda k: model_scores_dict[k].get('R2', -float('inf')) ) if not model_scores_dict: st.error("No models were successfully trained. Please check your data and try again.") return st.session_state.best_model_info = { 'name': best_model_name, 'model': trained_models[best_model_name], 'metrics': model_scores_dict[best_model_name] } status_text.text("Training completed!") st.success(f"✅ Training completed! Best model: {best_model_name}") except Exception as e: display_error(e, "An error occurred during the model training process") def model_comparison_page(): st.header("📊 Model Comparison") if not st.session_state.model_scores: st.warning("⚠️ Please train models first.") return # Fill NaN with 0 for display and ensure all required columns exist scores_df = pd.DataFrame(st.session_state.model_scores).T if st.session_state.problem_type == "Classification": sort_by = 'Test Accuracy' display_cols = ['CV Mean Score', 'Test Accuracy', 'Test F1-score', 'Test AUC'] else: # Regression sort_by = 'R2' display_cols = ['CV Mean Score', 'R2', 'MSE'] # Ensure all display columns exist, add them with NaN if missing for col in display_cols: if col not in scores_df.columns: scores_df[col] = np.nan scores_df = scores_df.fillna(0).round(4) st.subheader("🏆 Model Leaderboard") leaderboard = scores_df[display_cols].sort_values(by=sort_by, ascending=False) leaderboard['Rank'] = range(1, len(leaderboard) + 1) leaderboard = leaderboard[['Rank'] + display_cols] st.dataframe(leaderboard.style.background_gradient(subset=[sort_by], cmap='RdYlGn'), use_container_width=True) if st.session_state.best_model_info: best_model_name = st.session_state.best_model_info['name'] best_metric_val = st.session_state.best_model_info['metrics'].get(sort_by, 0) st.markdown(f"
", unsafe_allow_html=True) st.subheader("📈 Performance Visualization") fig, ax = plt.subplots(figsize=(10, 6)) plot_data = scores_df[sort_by].sort_values(ascending=True) bars = ax.barh(plot_data.index, plot_data.values, color=['#ff6b6b' if idx == best_model_name else '#4ecdc4' for idx in plot_data.index]) ax.set_xlabel(sort_by) ax.set_title('Model Performance Comparison') st.pyplot(fig) if st.session_state.problem_type == "Classification" and st.session_state.X_test is not None: st.subheader(f"📋 Detailed Metrics for Best Model: {best_model_name}") best_model = st.session_state.best_model_info['model'] y_pred = best_model.predict(st.session_state.X_test) y_test = st.session_state.y_test # Confusion Matrix st.write("#### Confusion Matrix") cm = confusion_matrix(y_test, y_pred) fig_cm, ax_cm = plt.subplots() sns.heatmap(cm, annot=True, fmt='d', cmap='Blues', ax=ax_cm) ax_cm.set_xlabel('Predicted') ax_cm.set_ylabel('Actual') ax_cm.set_title('Confusion Matrix') st.pyplot(fig_cm) # Classification Report st.write("#### Classification Report") report = classification_report(y_test, y_pred, output_dict=True) report_df = pd.DataFrame(report).transpose() st.dataframe(report_df.round(4)) # ROC Curve and AUC if hasattr(best_model, 'predict_proba'): st.write("#### ROC Curve") try: y_proba = best_model.predict_proba(st.session_state.X_test) if y_proba.shape[1] > 2: # Multi-class classification # For multi-class, plot one-vs-rest ROC curves from sklearn.preprocessing import LabelBinarizer lb = LabelBinarizer() y_test_binarized = lb.fit_transform(y_test) fig_roc, ax_roc = plt.subplots() for i in range(y_proba.shape[1]): fpr, tpr, _ = roc_curve(y_test_binarized[:, i], y_proba[:, i]) roc_auc = auc(fpr, tpr) ax_roc.plot(fpr, tpr, label=f'Class {lb.classes_[i]} (AUC = {roc_auc:.2f})') ax_roc.plot([0, 1], [0, 1], 'k--', label='Random Classifier') ax_roc.set_xlabel('False Positive Rate') ax_roc.set_ylabel('True Positive Rate') ax_roc.set_title('ROC Curve (One-vs-Rest)') ax_roc.legend(loc='lower right') st.pyplot(fig_roc) else: # Binary classification fpr, tpr, _ = roc_curve(y_test, y_proba[:, 1]) roc_auc = auc(fpr, tpr) fig_roc, ax_roc = plt.subplots() ax_roc.plot(fpr, tpr, label=f'ROC curve (area = {roc_auc:.2f})') ax_roc.plot([0, 1], [0, 1], 'k--', label='Random Classifier') ax_roc.set_xlabel('False Positive Rate') ax_roc.set_ylabel('True Positive Rate') ax_roc.set_title('Receiver Operating Characteristic (ROC) Curve') ax_roc.legend(loc='lower right') st.pyplot(fig_roc) except Exception as e: st.warning(f"Could not plot ROC curve: {e}") # Precision-Recall Curve st.write("#### Precision-Recall Curve") try: if y_proba.shape[1] > 2: # Multi-class classification # For multi-class, plot one-vs-rest Precision-Recall curves from sklearn.preprocessing import LabelBinarizer lb = LabelBinarizer() y_test_binarized = lb.fit_transform(y_test) fig_pr, ax_pr = plt.subplots() for i in range(y_proba.shape[1]): precision, recall, _ = precision_recall_curve(y_test_binarized[:, i], y_proba[:, i]) pr_auc = auc(recall, precision) ax_pr.plot(recall, precision, label=f'Class {lb.classes_[i]} (AUC = {pr_auc:.2f})') ax_pr.set_xlabel('Recall') ax_pr.set_ylabel('Precision') ax_pr.set_title('Precision-Recall Curve (One-vs-Rest)') ax_pr.legend(loc='lower left') st.pyplot(fig_pr) else: # Binary classification precision, recall, _ = precision_recall_curve(y_test, y_proba[:, 1]) pr_auc = auc(recall, precision) fig_pr, ax_pr = plt.subplots() ax_pr.plot(recall, precision, label=f'Precision-Recall curve (area = {pr_auc:.2f})') ax_pr.set_xlabel('Recall') ax_pr.set_ylabel('Precision') ax_pr.set_title('Precision-Recall Curve') ax_pr.legend(loc='lower left') st.pyplot(fig_pr) except Exception as e: st.warning(f"Could not plot Precision-Recall curve: {e}") else: st.info("Model does not support `predict_proba` for ROC/PR curves.") elif st.session_state.problem_type == "Regression" and st.session_state.X_test is not None: st.subheader(f"📋 Detailed Metrics for Best Model: {best_model_name}") best_model = st.session_state.best_model_info['model'] y_pred = best_model.predict(st.session_state.X_test) y_test = st.session_state.y_test # Residual Plot st.write("#### Residual Plot") residuals = y_test - y_pred fig_res, ax_res = plt.subplots() ax_res.scatter(y_pred, residuals) ax_res.axhline(y=0, color='r', linestyle='--') ax_res.set_xlabel('Predicted Values') ax_res.set_ylabel('Residuals') ax_res.set_title('Residual Plot') st.pyplot(fig_res) # Actual vs. Predicted Plot st.write("#### Actual vs. Predicted Plot") fig_ap, ax_ap = plt.subplots() ax_ap.scatter(y_test, y_pred) ax_ap.plot([y_test.min(), y_test.max()], [y_test.min(), y_test.max()], 'k--', lw=2) # Diagonal line ax_ap.set_xlabel('Actual Values') ax_ap.set_ylabel('Predicted Values') ax_ap.set_title('Actual vs. Predicted Plot') st.pyplot(fig_ap) # st.subheader("Cross-Validation Score Details") # if st.session_state.model_scores: # cv_scores_df = pd.DataFrame({ # 'Model': list(st.session_state.model_scores.keys()), # 'CV Mean Score': [v.get('CV Mean Score', 'N/A') for v in st.session_state.model_scores.values()] # }) # st.dataframe(cv_scores_df.round(4), use_container_width=True) # else: # st.info("No cross-validation scores available.") def explainability_page(): st.header("🔍 Model Explainability (SHAP)") if not st.session_state.best_model_info or st.session_state.X_test is None: st.warning("⚠️ Please train a model and ensure test data is available.") return best_model = st.session_state.best_model_info['model'] best_model_name = st.session_state.best_model_info['name'] X_test_df = pd.DataFrame(st.session_state.X_test, columns=st.session_state.X_train.columns) st.write(f"**Explaining model:** {best_model_name}") with st.spinner("Generating SHAP explanations..."): try: # SHAP Explainer try: # Check for the newly added models first if isinstance(best_model, (xgb.XGBClassifier, xgb.XGBRegressor, lgb.LGBMClassifier, lgb.LGBMRegressor, cb.CatBoostClassifier, cb.CatBoostRegressor)): st.info(f"Using TreeExplainer for {best_model_name}") explainer = shap.TreeExplainer(best_model) elif isinstance(best_model, (RandomForestClassifier, GradientBoostingClassifier, DecisionTreeClassifier, RandomForestRegressor, GradientBoostingRegressor, DecisionTreeRegressor)): explainer = shap.TreeExplainer(best_model) elif isinstance(best_model, (LogisticRegression, LinearRegression, Ridge, ElasticNet)): explainer = shap.LinearExplainer(best_model, X_test_df) # Pass data for LinearExplainer elif isinstance(best_model, (SVC, SVR, KNeighborsClassifier, KNeighborsRegressor, GaussianNB)): # KernelExplainer can be slow or not directly applicable for some, use a subset of X_train for background data # For KNN and Naive Bayes, KernelExplainer is a common choice for SHAP if TreeExplainer/LinearExplainer aren't suitable. background_data = shap.sample(st.session_state.X_train, min(100, len(st.session_state.X_train))) if isinstance(background_data, np.ndarray): background_data = pd.DataFrame(background_data, columns=X_test_df.columns) explainer = shap.KernelExplainer(best_model.predict_proba if hasattr(best_model, 'predict_proba') else best_model.predict, background_data) else: st.warning(f"SHAP explanations might not be optimized for the model type '{best_model_name}'. Using KernelExplainer as fallback.") # Fallback to KernelExplainer for unknown model types background_data = shap.sample(st.session_state.X_train, min(100, len(st.session_state.X_train))) if isinstance(background_data, np.ndarray): background_data = pd.DataFrame(background_data, columns=X_test_df.columns) predict_fn = best_model.predict_proba if hasattr(best_model, 'predict_proba') and st.session_state.problem_type == "Classification" else best_model.predict explainer = shap.KernelExplainer(predict_fn, background_data) except Exception as e: display_error(e, f"Error creating SHAP explainer for {best_model_name}") st.error(f"SHAP explanations are currently not supported for the model type '{best_model_name}'. We are working on expanding compatibility.") return shap_values = explainer.shap_values(X_test_df) # For binary classification, shap_values might be a list of two arrays (for class 0 and 1) # We typically use shap_values for the positive class (class 1) if isinstance(shap_values, list) and len(shap_values) == 2 and st.session_state.problem_type == "Classification": shap_values_plot = shap_values[1] else: shap_values_plot = shap_values st.subheader("📊 Global Feature Importance (SHAP Summary Plot)") fig_summary, ax_summary = plt.subplots() shap.summary_plot(shap_values_plot, X_test_df, plot_type="bar", show=False, max_display=15) st.pyplot(fig_summary) st.subheader("🎯 SHAP Beeswarm Plot") fig_beeswarm, ax_beeswarm = plt.subplots() shap.summary_plot(shap_values_plot, X_test_df, show=False, max_display=15) st.pyplot(fig_beeswarm) st.subheader("💧 Individual Prediction Explanation (Waterfall Plot)") sample_idx = st.selectbox("Select a sample from test set to explain:", range(min(20, len(X_test_df)))) if st.button("Explain Sample"): fig_waterfall, ax_waterfall = plt.subplots() # Create SHAP Explanation object if isinstance(explainer, shap.explainers.Tree): expected_value = explainer.expected_value if isinstance(expected_value, list): # Multi-output case for TreeExplainer expected_value = expected_value[1] if len(expected_value) > 1 else expected_value[0] elif isinstance(explainer, shap.explainers.Linear) or isinstance(explainer, shap.explainers.Kernel): expected_value = explainer.expected_value if isinstance(expected_value, np.ndarray) and expected_value.ndim > 0: expected_value = expected_value[0] # Take the first if it's an array else: expected_value = 0 # Fallback, might need adjustment shap_explanation_obj = shap.Explanation( values=shap_values_plot[sample_idx], base_values=expected_value, data=X_test_df.iloc[sample_idx].values, feature_names=X_test_df.columns ) shap.waterfall_plot(shap_explanation_obj, show=False, max_display=15) st.pyplot(fig_waterfall) actual = st.session_state.y_test.iloc[sample_idx] predicted = best_model.predict(X_test_df.iloc[[sample_idx]])[0] st.metric("Actual Value", f"{actual:.2f}") st.metric("Predicted Value", f"{predicted:.2f}") except Exception as e: display_error(e, "An error occurred while generating SHAP explanations") def model_export_page(): st.header("💾 Model Export") if not st.session_state.best_model_info: st.warning("⚠️ Please train a model first.") return best_model_info = st.session_state.best_model_info best_model = best_model_info['model'] best_model_name = best_model_info['name'] st.write(f"**Best Model:** {best_model_name}") st.write(f"**Metrics:**") st.json(best_model_info['metrics']) # Build a pipeline for export (model + scaler if used) from sklearn.pipeline import Pipeline steps = [] if st.session_state.scaler: steps.append(('scaler', st.session_state.scaler)) # Check if the model is one of the newly added models is_new_model = isinstance(best_model, (xgb.XGBClassifier, xgb.XGBRegressor, lgb.LGBMClassifier, lgb.LGBMRegressor, cb.CatBoostClassifier, cb.CatBoostRegressor)) if is_new_model: st.info(f"Preparing {best_model_name} for export. These advanced models may require additional libraries when loading.") # Add model-specific export notes if isinstance(best_model, (xgb.XGBClassifier, xgb.XGBRegressor)): st.info("Note: To load this XGBoost model, ensure 'xgboost' is installed in your environment.") elif isinstance(best_model, (lgb.LGBMClassifier, lgb.LGBMRegressor)): st.info("Note: To load this LightGBM model, ensure 'lightgbm' is installed in your environment.") elif isinstance(best_model, (cb.CatBoostClassifier, cb.CatBoostRegressor)): st.info("Note: To load this CatBoost model, ensure 'catboost' is installed in your environment.") try: steps.append(('model', best_model)) pipeline_to_export = Pipeline(steps) st.session_state.trained_pipeline = pipeline_to_export except Exception as e: display_error(e, f"Error creating pipeline for {best_model_name}") st.warning("Falling back to exporting model without pipeline wrapper. Some preprocessing steps may need to be applied manually.") st.session_state.trained_pipeline = best_model export_format = st.selectbox("Choose export format:", ["Joblib (.joblib)", "Pickle (.pkl)"]) file_name_suggestion = f"{best_model_name.lower().replace(' ', '_')}_pipeline" file_name = st.text_input("Enter filename for export:", value=file_name_suggestion) if st.button("📥 Download Model Pipeline", type="primary"): try: buffer = io.BytesIO() ext = ".joblib" if "Joblib" in export_format else ".pkl" if ext == ".joblib": joblib.dump(pipeline_to_export, buffer) else: import pickle pickle.dump(pipeline_to_export, buffer) buffer.seek(0) st.download_button( label=f"Download {file_name}{ext}", data=buffer, file_name=f"{file_name}{ext}", mime="application/octet-stream" ) st.success("Model pipeline ready for download!") except Exception as e: display_error(e, "An error occurred while exporting the model pipeline") st.subheader("📖 How to use the exported pipeline:") # Determine if the best model is one of the newly added models is_xgboost = isinstance(best_model, (xgb.XGBClassifier, xgb.XGBRegressor)) is_lightgbm = isinstance(best_model, (lgb.LGBMClassifier, lgb.LGBMRegressor)) is_catboost = isinstance(best_model, (cb.CatBoostClassifier, cb.CatBoostRegressor)) # Create code example with appropriate imports based on the model type code_example = f"""import joblib # or import pickle import pandas as pd """ # Add model-specific imports if needed if is_xgboost: code_example += "import xgboost as xgb # Required for XGBoost models\n" if is_lightgbm: code_example += "import lightgbm as lgb # Required for LightGBM models\n" if is_catboost: code_example += "import catboost as cb # Required for CatBoost models\n" code_example += f""" # Load the pipeline pipeline = joblib.load('{file_name}{'.joblib' if 'Joblib' in export_format else '.pkl'}') # Example new data (must have same columns as training, BEFORE scaling) # new_data = pd.DataFrame(...) # Preprocess new_data similar to training (handle categoricals, ensure column order) # Ensure new_data has columns: {list(st.session_state.X_train.columns) if st.session_state.X_train is not None else 'X_train_columns'} # Make predictions # predictions = pipeline.predict(new_data) # print(predictions) # For classification models with probability output # if hasattr(pipeline, 'predict_proba'): # probabilities = pipeline.predict_proba(new_data) # print(probabilities) """ st.code(code_example, language='python') # Add additional notes for advanced models if is_xgboost or is_lightgbm or is_catboost: st.info("⚠️ Note: When deploying this model in production, ensure all required libraries are installed in your deployment environment.") st.info("💡 Tip: Consider using Docker to create a consistent environment for model deployment.") # --- Main Application --- def main(): init_session_state() st.markdown('