"""Enhanced Feature Engineering: Add domain-specific DNA features.""" import pandas as pd import numpy as np from pathlib import Path import json import warnings warnings.filterwarnings('ignore') ROOT = Path(__file__).parent.parent.parent RECONSTRUCTED_DIR = ROOT / "data/reconstructed" RAW_DATA_DIR = ROOT / "data/PROVEDIt_1-5-Person CSVs UnFiltered" OUTPUT_DIR = ROOT / "data/reconstructed/production" OUTPUT_DIR.mkdir(parents=True, exist_ok=True) def load_all_sample_data(): """Load all sample labels from both phases.""" print("šŸ“– Loading all sample labels...") labels_df = pd.read_csv(RECONSTRUCTED_DIR / "sample_labels.csv") print(f"āœ… Loaded {len(labels_df)} total samples") # Split by study rd14_samples = labels_df[labels_df['study_id'] == 'RD14-0003'].copy() rd12_samples = labels_df[labels_df['study_id'] == 'RD12-0002'].copy() print(f" RD14: {len(rd14_samples)} samples") print(f" RD12: {len(rd12_samples)} samples") return labels_df, rd14_samples, rd12_samples def extract_peak_features_enhanced(sample_file, raw_data_dir): """Extract enhanced peak features from raw CSV.""" features = {} try: # Find the CSV file found_files = list(raw_data_dir.rglob(f"{sample_file}")) if not found_files: return features csv_path = found_files[0] df = pd.read_csv(csv_path) # Extract statistics per marker for _, row in df.iterrows(): marker = row['Marker'] # Extract all heights and sizes heights = [] sizes = [] alleles = [] for i in range(1, 101): height_col = f'Height {i}' size_col = f'Size {i}' allele_col = f'Allele {i}' if height_col in df.columns: height = row[height_col] if pd.notna(height) and height != '' and str(height).upper() != 'NAN': try: h = float(height) if h > 0: heights.append(h) except: pass if size_col in df.columns and len(heights) > 0: size = row[size_col] if pd.notna(size) and size != '': try: sizes.append(float(size)) except: pass if allele_col in df.columns: allele = str(row[allele_col]).strip() if allele and allele.upper() != 'OL' and allele != 'nan': alleles.append(allele) if heights: # Basic features features[f"{marker}_peak_count"] = len(heights) features[f"{marker}_max_height"] = max(heights) features[f"{marker}_sum_height"] = sum(heights) features[f"{marker}_mean_height"] = np.mean(heights) features[f"{marker}_std_height"] = np.std(heights) if len(heights) > 1 else 0 # Domain-specific: Peak height ratio (peak 1 / peak 2) if len(heights) >= 2: sorted_heights = sorted(heights, reverse=True) features[f"{marker}_peak_ratio"] = sorted_heights[0] / sorted_heights[1] if sorted_heights[1] > 0 else 0 # Allele balance: ratio of two highest peaks features[f"{marker}_allele_balance"] = min(sorted_heights[0], sorted_heights[1]) / max(sorted_heights[0], sorted_heights[1]) if sorted_heights[0] > 0 else 0 # Domain-specific: Homozygosity indicator if len(alleles) == 2: features[f"{marker}_is_homozygous"] = 1 if alleles[0] == alleles[1] else 0 else: features[f"{marker}_is_homozygous"] = 0 # Domain-specific: Peak distribution (coefficient of variation) if len(heights) > 1: features[f"{marker}_cv_heights"] = np.std(heights) / np.mean(heights) if np.mean(heights) > 0 else 0 except Exception as e: pass return features def build_enhanced_feature_matrix(labels_df): """Build feature matrix with domain-specific features.""" print("\nšŸ› ļø Building enhanced feature matrix with domain features...") features_list = [] for idx, row in labels_df.iterrows(): if idx % 100 == 0: print(f" Processing {idx}/{len(labels_df)}...", end='\r') sample_file = row['sample_file'] # Basic info feature_dict = { 'sample_file': sample_file, 'study_id': row['study_id'], 'kit': row['kit'], 'num_contributors': row['num_contributors'], 'num_known': row['num_known'], 'num_unknown': row['num_unknown'], 'unknown_present': row['unknown_present'], } # Extract enhanced peak features peak_features = extract_peak_features_enhanced(sample_file, RAW_DATA_DIR) feature_dict.update(peak_features) features_list.append(feature_dict) feature_df = pd.DataFrame(features_list) # Fill NaN with 0 feature_df = feature_df.fillna(0) # Filter: Keep only samples with minimum markers marker_threshold = 15 marker_cols = [c for c in feature_df.columns if '_peak_count' in c] feature_df['num_markers_detected'] = (feature_df[marker_cols] > 0).sum(axis=1) print(f"\n Total features before filtering: {len(feature_df)}") print(f" Min marker threshold: {marker_threshold}") filtered_df = feature_df[feature_df['num_markers_detected'] >= marker_threshold].copy() print(f" Total features after filtering: {len(filtered_df)}") print(f" Feature columns: {len(filtered_df.columns)}") return filtered_df def split_by_study(feature_df): """Split dataset by study.""" print("\nšŸ“Š Splitting by study...") rd14_df = feature_df[feature_df['study_id'] == 'RD14-0003'].copy() rd12_df = feature_df[feature_df['study_id'] == 'RD12-0002'].copy() print(f" RD14: {len(rd14_df)} samples") print(f" RD12: {len(rd12_df)} samples") print(f" Combined: {len(feature_df)} samples") return rd14_df, rd12_df, feature_df def save_enhanced_features(rd14_df, rd12_df, combined_df): """Save enhanced feature matrices.""" print("\nšŸ’¾ Saving enhanced feature matrices...") # Save by study rd14_df.to_csv(OUTPUT_DIR / "rd14_enhanced_features.csv", index=False) rd12_df.to_csv(OUTPUT_DIR / "rd12_enhanced_features.csv", index=False) # Save combined combined_df.to_csv(OUTPUT_DIR / "combined_enhanced_features.csv", index=False) # Save summary (convert numpy types to python native types) summary = { "rd14": { "total_samples": int(len(rd14_df)), "num_features": int(len(rd14_df.columns)), "unknown_present_0": int((rd14_df['unknown_present'] == 0).sum()), "unknown_present_1": int((rd14_df['unknown_present'] == 1).sum()), }, "rd12": { "total_samples": int(len(rd12_df)), "num_features": int(len(rd12_df.columns)), "unknown_present_0": int((rd12_df['unknown_present'] == 0).sum()), "unknown_present_1": int((rd12_df['unknown_present'] == 1).sum()), }, "combined": { "total_samples": int(len(combined_df)), "num_features": int(len(combined_df.columns)), "unknown_present_0": int((combined_df['unknown_present'] == 0).sum()), "unknown_present_1": int((combined_df['unknown_present'] == 1).sum()), } } with open(OUTPUT_DIR / "enhanced_features_summary.json", "w") as f: json.dump(summary, f, indent=2) print(f" āœ… RD14: {OUTPUT_DIR}/rd14_enhanced_features.csv") print(f" āœ… RD12: {OUTPUT_DIR}/rd12_enhanced_features.csv") print(f" āœ… Combined: {OUTPUT_DIR}/combined_enhanced_features.csv") return summary def main(): print("=" * 80) print("šŸ”§ STEP 5: Enhanced Feature Engineering") print("=" * 80) # Load data labels_df, rd14_samples, rd12_samples = load_all_sample_data() # Build enhanced features feature_df = build_enhanced_feature_matrix(labels_df) # Split by study rd14_df, rd12_df, combined_df = split_by_study(feature_df) # Save summary = save_enhanced_features(rd14_df, rd12_df, combined_df) print("\n" + "=" * 80) print("āœ… STEP 5 COMPLETE!") print("=" * 80) print("\nšŸ“Š Feature Engineering Summary:") print(json.dumps(summary, indent=2)) print(f"\nNext step: Light hyperparameter tuning with 5-fold CV") if __name__ == "__main__": main()