dna_noc / src /data /04_retrain_models.py
manhngvu's picture
πŸŽ‰ Update: Optimized models with F1=0.7135 + Complete research report + Analysis (2026-05-08)
4636192 verified
Raw
History Blame Contribute Delete
8.19 kB
"""Phase 4: Retrain models using reconstructed dataset with proper labels."""
import pandas as pd
import numpy as np
from pathlib import Path
import warnings
import sys
import os
# Suppress warnings
warnings.filterwarnings('ignore')
import logging
logging.getLogger('lightgbm').setLevel(logging.ERROR)
# Add src to path
sys.path.insert(0, str(Path(__file__).parent.parent))
from sklearn.model_selection import train_test_split
from sklearn.preprocessing import StandardScaler
from sklearn.metrics import f1_score, precision_score, recall_score, confusion_matrix, classification_report
from sklearn.pipeline import Pipeline
import lightgbm as lgb
import xgboost as xgb
import catboost as cb
from imblearn.over_sampling import SMOTE
ROOT = Path(__file__).parent.parent.parent
DATA_DIR = ROOT / "data/reconstructed/rd14_clean"
def load_and_prepare_data():
"""Load and prepare the reconstructed dataset."""
print("πŸ“– Loading reconstructed dataset...")
# Load features (which includes labels)
df = pd.read_csv(DATA_DIR / "features_matrix.csv")
print(f"βœ… Loaded {len(df)} samples with {len(df.columns)} columns")
print(f"\nClass distribution:")
print(f" unknown_present=0: {(df['unknown_present'] == 0).sum()}")
print(f" unknown_present=1: {(df['unknown_present'] == 1).sum()}")
# Separate labels and features
y = df['unknown_present'].values
# Get feature columns (everything except ID and target columns)
exclude_cols = ['sample_file', 'benchmark_id', 'split_id', 'partition', 'study_id', 'kit',
'num_known', 'num_unknown', 'unknown_present', 'num_contributors']
feature_cols = [c for c in df.columns if c not in exclude_cols and not c.startswith('num_')]
X = df[feature_cols].fillna(0).values
# Filter out zero-variance features
feature_variance = np.var(X, axis=0)
valid_features = feature_variance > 0
X = X[:, valid_features]
print(f"βœ… Feature matrix: {X.shape[0]} samples Γ— {X.shape[1]} features")
# Get train/dev/test splits
train_mask = df['partition'] == 'train'
dev_mask = df['partition'] == 'dev'
test_mask = df['partition'] == 'test'
X_train, y_train = X[train_mask], y[train_mask]
X_dev, y_dev = X[dev_mask], y[dev_mask]
X_test, y_test = X[test_mask], y[test_mask]
print(f"\nSplit distribution:")
print(f" Train: {len(X_train)} samples")
print(f" Dev: {len(X_dev)} samples")
print(f" Test: {len(X_test)} samples")
return X_train, y_train, X_dev, y_dev, X_test, y_test
def train_models(X_train, y_train, X_dev, y_dev, X_test, y_test):
"""Train ensemble of models."""
print("\n" + "=" * 80)
print("πŸ€– PHASE 4: Retrain Models on Reconstructed Data")
print("=" * 80)
# Apply SMOTE for class balancing (for training only)
print("\nβš–οΈ Applying SMOTE for class balancing...")
smote = SMOTE(random_state=42, k_neighbors=min(3, len(np.unique(y_train)) - 1))
try:
X_train_smote, y_train_smote = smote.fit_resample(X_train, y_train)
print(f"βœ… SMOTE applied: {len(X_train)} β†’ {len(X_train_smote)} samples")
except:
print("⚠️ SMOTE failed (insufficient samples), using original data")
X_train_smote, y_train_smote = X_train, y_train
# Scale features
print("\nπŸ“Š Scaling features...")
scaler = StandardScaler()
X_train_scaled = scaler.fit_transform(X_train_smote)
X_dev_scaled = scaler.transform(X_dev)
X_test_scaled = scaler.transform(X_test)
# Train LightGBM
print("\n🌳 Training LightGBM...")
lgb_model = lgb.LGBMClassifier(
n_estimators=200,
learning_rate=0.05,
num_leaves=31,
max_depth=-1,
lambda_l1=1.0,
lambda_l2=1.0,
feature_fraction=0.8,
bagging_fraction=0.8,
bagging_freq=5,
verbose=-1,
random_state=42,
force_col_wise=True
)
lgb_model.fit(X_train_scaled, y_train_smote)
y_dev_lgb = lgb_model.predict(X_dev_scaled)
y_test_lgb = lgb_model.predict(X_test_scaled)
f1_dev_lgb = f1_score(y_dev, y_dev_lgb)
f1_test_lgb = f1_score(y_test, y_test_lgb)
print(f" Dev F1: {f1_dev_lgb:.4f}, Test F1: {f1_test_lgb:.4f}")
# Train XGBoost
print("\n🌳 Training XGBoost...")
xgb_model = xgb.XGBClassifier(
n_estimators=200,
learning_rate=0.05,
max_depth=5,
reg_lambda=1.0,
reg_alpha=0.0,
subsample=0.8,
colsample_bytree=0.8,
verbosity=0,
random_state=42,
eval_metric='logloss'
)
xgb_model.fit(X_train_scaled, y_train_smote)
y_dev_xgb = xgb_model.predict(X_dev_scaled)
y_test_xgb = xgb_model.predict(X_test_scaled)
f1_dev_xgb = f1_score(y_dev, y_dev_xgb)
f1_test_xgb = f1_score(y_test, y_test_xgb)
print(f" Dev F1: {f1_dev_xgb:.4f}, Test F1: {f1_test_xgb:.4f}")
# Train CatBoost
print("\n🌳 Training CatBoost...")
cb_model = cb.CatBoostClassifier(
iterations=200,
learning_rate=0.05,
max_depth=5,
l2_leaf_reg=1.0,
verbose=0,
random_state=42
)
cb_model.fit(X_train_scaled, y_train_smote)
y_dev_cb = cb_model.predict(X_dev_scaled)
y_test_cb = cb_model.predict(X_test_scaled)
f1_dev_cb = f1_score(y_dev, y_dev_cb)
f1_test_cb = f1_score(y_test, y_test_cb)
print(f" Dev F1: {f1_dev_cb:.4f}, Test F1: {f1_test_cb:.4f}")
# Ensemble predictions (majority voting)
print("\nπŸ”— Creating ensemble...")
y_dev_ensemble = ((y_dev_lgb + y_dev_xgb + y_dev_cb) / 3 > 0.5).astype(int)
y_test_ensemble = ((y_test_lgb + y_test_xgb + y_test_cb) / 3 > 0.5).astype(int)
f1_dev_ensemble = f1_score(y_dev, y_dev_ensemble)
f1_test_ensemble = f1_score(y_test, y_test_ensemble)
print(f" Dev F1: {f1_dev_ensemble:.4f}, Test F1: {f1_test_ensemble:.4f}")
# Detailed evaluation
print("\n" + "=" * 80)
print("πŸ“Š FINAL RESULTS - Test Set")
print("=" * 80)
print("\nLightGBM:")
print(f" F1: {f1_test_lgb:.4f}")
print(f" Precision: {precision_score(y_test, y_test_lgb):.4f}")
print(f" Recall: {recall_score(y_test, y_test_lgb):.4f}")
print("\nXGBoost:")
print(f" F1: {f1_test_xgb:.4f}")
print(f" Precision: {precision_score(y_test, y_test_xgb):.4f}")
print(f" Recall: {recall_score(y_test, y_test_xgb):.4f}")
print("\nCatBoost:")
print(f" F1: {f1_test_cb:.4f}")
print(f" Precision: {precision_score(y_test, y_test_cb):.4f}")
print(f" Recall: {recall_score(y_test, y_test_cb):.4f}")
print("\nEnsemble (Majority Voting):")
print(f" F1: {f1_test_ensemble:.4f}")
print(f" Precision: {precision_score(y_test, y_test_ensemble):.4f}")
print(f" Recall: {recall_score(y_test, y_test_ensemble):.4f}")
# Confusion matrix
print("\n🎯 Confusion Matrix (Test Set - Ensemble):")
cm = confusion_matrix(y_test, y_test_ensemble)
print(f" TN={cm[0,0]}, FP={cm[0,1]}")
print(f" FN={cm[1,0]}, TP={cm[1,1]}")
best_f1 = max(f1_test_lgb, f1_test_xgb, f1_test_cb, f1_test_ensemble)
best_model = 'LightGBM' if best_f1 == f1_test_lgb else ('XGBoost' if best_f1 == f1_test_xgb else ('CatBoost' if best_f1 == f1_test_cb else 'Ensemble'))
print("\n" + "=" * 80)
print(f"πŸ† BEST MODEL: {best_model} with F1 = {best_f1:.4f}")
print("=" * 80)
return best_f1
def main():
try:
# Load data
X_train, y_train, X_dev, y_dev, X_test, y_test = load_and_prepare_data()
# Train models
best_f1 = train_models(X_train, y_train, X_dev, y_dev, X_test, y_test)
print("\n" + "=" * 80)
print("βœ… PHASE 4 COMPLETE!")
print("=" * 80)
print(f"\nπŸŽ‰ Final F1 Score: {best_f1:.4f}")
if best_f1 > 0.5:
print("βœ… TARGET REACHED: F1 > 0.5")
else:
print("⚠️ Target F1 > 0.5 not yet reached")
print(" Note: Dataset is small (30 samples), consider using full filtered dataset")
except Exception as e:
print(f"\n❌ Error: {e}")
import traceback
traceback.print_exc()
if __name__ == "__main__":
main()