""" ALWAS ML Models — Train and evaluate all 3 models: 1. Hours Estimation (XGBoost Regressor) 2. Complexity Classification (XGBoost + LightGBM Ensemble) 3. Bottleneck Risk Prediction (Gradient Boosting Classifier) """ import numpy as np import pandas as pd import json import joblib import os from sklearn.model_selection import train_test_split, cross_val_score, StratifiedKFold from sklearn.preprocessing import LabelEncoder, OrdinalEncoder from sklearn.metrics import ( mean_absolute_error, mean_squared_error, r2_score, classification_report, confusion_matrix, accuracy_score, f1_score, roc_auc_score ) from sklearn.calibration import CalibratedClassifierCV import xgboost as xgb import lightgbm as lgb # === Load Data === print("=" * 60) print("ALWAS ML MODEL TRAINING") print("=" * 60) df = pd.read_csv('/app/alwas_blocks_dataset.csv') print(f"\nLoaded {len(df)} blocks ({df['is_completed'].sum()} completed, {(~df['is_completed'].astype(bool)).sum()} in-progress)") # === Feature Engineering === print("\n--- Feature Engineering ---") # Encode categoricals tech_node_encoder = LabelEncoder() block_type_encoder = LabelEncoder() priority_encoder = OrdinalEncoder(categories=[['P4-Low', 'P3-Medium', 'P2-High', 'P1-Critical']]) engineer_encoder = LabelEncoder() df['tech_node_encoded'] = tech_node_encoder.fit_transform(df['tech_node']) df['block_type_encoded'] = block_type_encoder.fit_transform(df['block_type']) df['priority_encoded'] = priority_encoder.fit_transform(df[['priority']]).astype(int).flatten() df['engineer_encoded'] = engineer_encoder.fit_transform(df['engineer_id']) # Create interaction features df['type_node_interaction'] = df['tech_node_encoded'] * 10 + df['block_type_encoded'] df['complexity_score'] = df['constraint_complexity'] * df['transistor_count_log'] df['size_priority_interaction'] = df['transistor_count_log'] * df['priority_numeric'] # Encode targets early so slices have them complexity_encoder = LabelEncoder() df['complexity_encoded'] = complexity_encoder.fit_transform(df['complexity']) bottleneck_encoder = LabelEncoder() df['bottleneck_encoded'] = bottleneck_encoder.fit_transform(df['bottleneck_risk']) # === MODEL 1: Hours Estimation === print("\n" + "=" * 60) print("MODEL 1: Hours Estimation (XGBoost Regressor)") print("=" * 60) # Use completed blocks for training hours estimation completed = df[df['is_completed'] == 1].copy() HOURS_FEATURES = [ 'tech_node_encoded', 'block_type_encoded', 'priority_encoded', 'transistor_count', 'transistor_count_log', 'has_dependencies', 'num_dependencies', 'constraint_complexity', 'drc_iterations', 'engineer_skill_factor', 'type_node_interaction', 'complexity_score', 'size_priority_interaction' ] X_hours = completed[HOURS_FEATURES] y_hours = completed['actual_hours'] X_train_h, X_test_h, y_train_h, y_test_h = train_test_split( X_hours, y_hours, test_size=0.2, random_state=42 ) # XGBoost model hours_model = xgb.XGBRegressor( n_estimators=500, learning_rate=0.05, max_depth=7, subsample=0.8, colsample_bytree=0.8, min_child_weight=3, reg_alpha=0.1, reg_lambda=1.0, objective='reg:squarederror', tree_method='hist', random_state=42, early_stopping_rounds=50, ) hours_model.fit( X_train_h, y_train_h, eval_set=[(X_test_h, y_test_h)], verbose=False ) # Evaluate y_pred_h = hours_model.predict(X_test_h) mae = mean_absolute_error(y_test_h, y_pred_h) rmse = np.sqrt(mean_squared_error(y_test_h, y_pred_h)) r2 = r2_score(y_test_h, y_pred_h) mape = np.mean(np.abs((y_test_h - y_pred_h) / y_test_h)) * 100 print(f"\nHours Estimation Results:") print(f" MAE: {mae:.2f} hours") print(f" RMSE: {rmse:.2f} hours") print(f" R²: {r2:.4f}") print(f" MAPE: {mape:.1f}%") # Feature importance importance = pd.DataFrame({ 'feature': HOURS_FEATURES, 'importance': hours_model.feature_importances_ }).sort_values('importance', ascending=False) print(f"\nTop features for hours estimation:") print(importance.to_string(index=False)) # Cross-validation cv_scores = cross_val_score( xgb.XGBRegressor(n_estimators=500, learning_rate=0.05, max_depth=7, subsample=0.8, colsample_bytree=0.8, tree_method='hist', random_state=42), X_hours, y_hours, cv=5, scoring='r2' ) print(f"\n5-Fold CV R²: {cv_scores.mean():.4f} ± {cv_scores.std():.4f}") # === MODEL 2: Complexity Classification === print("\n" + "=" * 60) print("MODEL 2: Complexity Classification (XGBoost + LightGBM Ensemble)") print("=" * 60) COMPLEXITY_FEATURES = [ 'tech_node_encoded', 'block_type_encoded', 'priority_encoded', 'transistor_count', 'transistor_count_log', 'has_dependencies', 'num_dependencies', 'constraint_complexity', 'drc_iterations', 'type_node_interaction', 'complexity_score', 'size_priority_interaction' ] X_comp = completed[COMPLEXITY_FEATURES] y_comp = completed['complexity_encoded'] X_train_c, X_test_c, y_train_c, y_test_c = train_test_split( X_comp, y_comp, test_size=0.2, random_state=42, stratify=y_comp ) # XGBoost classifier xgb_clf = xgb.XGBClassifier( n_estimators=500, learning_rate=0.05, max_depth=6, subsample=0.8, colsample_bytree=0.8, objective='multi:softprob', num_class=3, tree_method='hist', random_state=42, early_stopping_rounds=50, ) xgb_clf.fit(X_train_c, y_train_c, eval_set=[(X_test_c, y_test_c)], verbose=False) # LightGBM classifier lgb_clf = lgb.LGBMClassifier( n_estimators=500, learning_rate=0.05, num_leaves=63, subsample=0.8, colsample_bytree=0.8, random_state=42, verbose=-1, ) lgb_clf.fit(X_train_c, y_train_c) # Ensemble predictions (average probabilities) xgb_proba = xgb_clf.predict_proba(X_test_c) lgb_proba = lgb_clf.predict_proba(X_test_c) ensemble_proba = (xgb_proba + lgb_proba) / 2 y_pred_c = np.argmax(ensemble_proba, axis=1) accuracy = accuracy_score(y_test_c, y_pred_c) f1 = f1_score(y_test_c, y_pred_c, average='weighted') print(f"\nComplexity Classification Results (Ensemble):") print(f" Accuracy: {accuracy:.4f}") print(f" F1 (weighted): {f1:.4f}") print(f"\nClassification Report:") target_names = complexity_encoder.classes_ print(classification_report(y_test_c, y_pred_c, target_names=target_names)) # Per-model scores xgb_acc = accuracy_score(y_test_c, xgb_clf.predict(X_test_c)) lgb_acc = accuracy_score(y_test_c, lgb_clf.predict(X_test_c)) print(f" XGBoost alone: {xgb_acc:.4f}") print(f" LightGBM alone: {lgb_acc:.4f}") print(f" Ensemble: {accuracy:.4f}") # === MODEL 3: Bottleneck Risk Prediction === print("\n" + "=" * 60) print("MODEL 3: Bottleneck Risk Prediction (Gradient Boosting)") print("=" * 60) # For bottleneck prediction, use ALL blocks (including in-progress) BOTTLENECK_FEATURES = [ 'tech_node_encoded', 'block_type_encoded', 'priority_encoded', 'transistor_count_log', 'has_dependencies', 'num_dependencies', 'constraint_complexity', 'estimated_hours', 'hours_logged', 'hours_over_estimate_ratio', 'drc_iterations', 'drc_violations_total', 'lvs_mismatches_total', 'current_stage_idx', 'days_in_current_stage', 'engineer_skill_factor', 'is_overdue', 'complexity_score' ] X_bn = df[BOTTLENECK_FEATURES] y_bn = df['bottleneck_encoded'] X_train_b, X_test_b, y_train_b, y_test_b = train_test_split( X_bn, y_bn, test_size=0.2, random_state=42, stratify=y_bn ) # XGBoost classifier with calibration base_bn_model = xgb.XGBClassifier( n_estimators=500, learning_rate=0.05, max_depth=6, subsample=0.8, colsample_bytree=0.8, scale_pos_weight=1, objective='multi:softprob', num_class=3, tree_method='hist', random_state=42, ) # Calibrate probabilities bn_model = CalibratedClassifierCV(base_bn_model, cv=3, method='isotonic') bn_model.fit(X_train_b, y_train_b) y_pred_b = bn_model.predict(X_test_b) y_proba_b = bn_model.predict_proba(X_test_b) bn_accuracy = accuracy_score(y_test_b, y_pred_b) bn_f1 = f1_score(y_test_b, y_pred_b, average='weighted') print(f"\nBottleneck Risk Prediction Results:") print(f" Accuracy: {bn_accuracy:.4f}") print(f" F1 (weighted): {bn_f1:.4f}") print(f"\nClassification Report:") bn_target_names = bottleneck_encoder.classes_ print(classification_report(y_test_b, y_pred_b, target_names=bn_target_names)) # === Save All Models & Artifacts === print("\n" + "=" * 60) print("SAVING MODELS") print("=" * 60) os.makedirs('/app/models', exist_ok=True) # Save models joblib.dump(hours_model, '/app/models/hours_estimator.joblib') joblib.dump(xgb_clf, '/app/models/complexity_xgb.joblib') joblib.dump(lgb_clf, '/app/models/complexity_lgb.joblib') joblib.dump(bn_model, '/app/models/bottleneck_predictor.joblib') # Save encoders joblib.dump(tech_node_encoder, '/app/models/tech_node_encoder.joblib') joblib.dump(block_type_encoder, '/app/models/block_type_encoder.joblib') joblib.dump(priority_encoder, '/app/models/priority_encoder.joblib') joblib.dump(engineer_encoder, '/app/models/engineer_encoder.joblib') joblib.dump(complexity_encoder, '/app/models/complexity_encoder.joblib') joblib.dump(bottleneck_encoder, '/app/models/bottleneck_encoder.joblib') # Save feature lists feature_config = { 'hours_features': HOURS_FEATURES, 'complexity_features': COMPLEXITY_FEATURES, 'bottleneck_features': BOTTLENECK_FEATURES, 'tech_nodes': list(tech_node_encoder.classes_), 'block_types': list(block_type_encoder.classes_), 'priorities': ['P4-Low', 'P3-Medium', 'P2-High', 'P1-Critical'], 'complexity_classes': list(complexity_encoder.classes_), 'bottleneck_classes': list(bottleneck_encoder.classes_), } with open('/app/models/feature_config.json', 'w') as f: json.dump(feature_config, f, indent=2) # Save model evaluation metrics metrics = { 'hours_estimation': { 'mae': round(mae, 2), 'rmse': round(rmse, 2), 'r2': round(r2, 4), 'mape_percent': round(mape, 1), 'cv_r2_mean': round(cv_scores.mean(), 4), 'cv_r2_std': round(cv_scores.std(), 4), }, 'complexity_classification': { 'accuracy': round(accuracy, 4), 'f1_weighted': round(f1, 4), 'xgb_accuracy': round(xgb_acc, 4), 'lgb_accuracy': round(lgb_acc, 4), 'ensemble_accuracy': round(accuracy, 4), }, 'bottleneck_prediction': { 'accuracy': round(bn_accuracy, 4), 'f1_weighted': round(bn_f1, 4), }, 'training_data': { 'total_samples': len(df), 'completed_blocks': int(df['is_completed'].sum()), 'in_progress_blocks': int((~df['is_completed'].astype(bool)).sum()), } } with open('/app/models/metrics.json', 'w') as f: json.dump(metrics, f, indent=2) print(f"\nModels saved to /app/models/:") for f in sorted(os.listdir('/app/models')): size = os.path.getsize(f'/app/models/{f}') print(f" {f} ({size:,} bytes)") print("\n" + "=" * 60) print("ALL MODELS TRAINED SUCCESSFULLY") print("=" * 60)