""" Train a trajectory quality predictor. Input: intermediate measurement record Output: P(final measurement correct) This learns the optimal weighting function from data. """ import json import numpy as np from pathlib import Path from sklearn.model_selection import train_test_split, cross_val_score from sklearn.ensemble import RandomForestClassifier, GradientBoostingClassifier from sklearn.linear_model import LogisticRegression from sklearn.metrics import accuracy_score, roc_auc_score, brier_score_loss from sklearn.calibration import calibration_curve import warnings warnings.filterwarnings('ignore') def parse_trajectory(bitstring, n_meas, expect='0'): """ Parse a Zeno trajectory bitstring. Qiskit convention: rightmost = first measured bits[0] = final measurement bits[1:n_meas+1] = intermediate measurements """ if len(bitstring) < n_meas + 1: return None final = bitstring[0] intermediate = bitstring[1:n_meas+1] n_flips = intermediate.count('1') flip_positions = [i for i, b in enumerate(intermediate) if b == '1'] correct = 1 if final == expect else 0 return { 'n_flips': n_flips, 'n_meas': n_meas, 'flip_positions': flip_positions, 'correct': correct, 'final': final, 'intermediate': intermediate, } def build_features(traj, max_positions=16): """ Build feature vector from parsed trajectory. Features: - n_flips: total flip count - n_meas: number of intermediate measurements - flip_rate: n_flips / n_meas - position indicators: which positions had flips - early_flips: flips in first half - late_flips: flips in second half """ n_flips = traj['n_flips'] n_meas = traj['n_meas'] features = [ n_flips, n_meas, n_flips / n_meas if n_meas > 0 else 0, ] pos_vec = [0] * max_positions for p in traj['flip_positions']: if p < max_positions: pos_vec[p] = 1 features.extend(pos_vec) mid = n_meas // 2 early_flips = sum(1 for p in traj['flip_positions'] if p < mid) late_flips = sum(1 for p in traj['flip_positions'] if p >= mid) features.extend([early_flips, late_flips]) return features def load_trajectory_data(): """Load all trajectory data from results.""" X = [] y = [] meta = [] results_dir = Path('D:/qiskit-zenodragging/results') traj_file = results_dir / 'trajectory_estimation' / 'trajectory_estimation.json' if traj_file.exists(): with open(traj_file) as f: data = json.load(f) for circuit_name, circuit_data in data['data'].items(): n_meas = circuit_data['n_meas'] expect = circuit_data.get('expect', '0') if 'freeze' in circuit_name or 'x_freeze' in circuit_name: expect = '0' elif 'drag' in circuit_name: expect = '1' for bs in circuit_data['bitstrings']: traj = parse_trajectory(bs, n_meas, expect) if traj: X.append(build_features(traj)) y.append(traj['correct']) meta.append({ 'circuit': circuit_name, 'n_meas': n_meas, 'n_flips': traj['n_flips'], }) vqe_file = results_dir / 'vqe_trajectory_validation' / 'vqe_trajectory_validation.json' if vqe_file.exists(): with open(vqe_file) as f: data = json.load(f) for result_name, result_data in data.get('results', {}).items(): if 'bitstrings' not in result_data: continue if result_data.get('type') != 'zeno': continue n_meas = 8 true_z = result_data.get('true_z', 0) expect = '0' if true_z >= 0 else '1' for bs in result_data['bitstrings']: traj = parse_trajectory(bs, n_meas, expect) if traj: X.append(build_features(traj)) y.append(traj['correct']) meta.append({ 'circuit': result_name, 'n_meas': n_meas, 'n_flips': traj['n_flips'], }) return np.array(X), np.array(y), meta def exponential_weight(n_flips, decay=1.0): """Baseline exponential weighting.""" return np.exp(-decay * n_flips) def evaluate_weighting(y_true, y_pred_proba, meta): """ Evaluate a weighting scheme. Returns effective yield = weighted_fidelity * utilization """ weights = y_pred_proba weighted_correct = np.sum(weights * y_true) total_weight = np.sum(weights) weighted_fidelity = weighted_correct / total_weight if total_weight > 0 else 0 utilization = total_weight / len(y_true) effective_yield = weighted_fidelity * utilization return { 'weighted_fidelity': weighted_fidelity, 'utilization': utilization, 'effective_yield': effective_yield, } def bootstrap_ci(metric_fn, y_true, y_pred, n_bootstrap=1000, ci=0.95): """Compute bootstrap confidence interval for a metric.""" n = len(y_true) scores = [] for _ in range(n_bootstrap): idx = np.random.choice(n, n, replace=True) score = metric_fn(y_true[idx], y_pred[idx]) scores.append(score) alpha = (1 - ci) / 2 lower = np.percentile(scores, alpha * 100) upper = np.percentile(scores, (1 - alpha) * 100) mean = np.mean(scores) return mean, lower, upper def main(): print("=" * 70) print("TRAJECTORY QUALITY MODEL TRAINING") print("=" * 70) print("\n[1/5] Loading data...") X, y, meta = load_trajectory_data() print(f" Samples: {len(X)}") print(f" Features: {X.shape[1]}") print(f" Label balance: {y.mean():.1%} correct") print("\n[2/5] Train/test split...") X_train, X_test, y_train, y_test, meta_train, meta_test = train_test_split( X, y, meta, test_size=0.2, random_state=42, stratify=y ) print(f" Train: {len(X_train)}, Test: {len(X_test)}") print("\n[3/5] Training models...") models = { 'LogisticRegression': LogisticRegression(max_iter=1000), 'RandomForest': RandomForestClassifier(n_estimators=100, max_depth=10, random_state=42), 'GradientBoosting': GradientBoostingClassifier(n_estimators=100, max_depth=5, random_state=42), } results = {} for name, model in models.items(): print(f"\n Training {name}...") model.fit(X_train, y_train) y_pred = model.predict(X_test) y_proba = model.predict_proba(X_test)[:, 1] acc = accuracy_score(y_test, y_pred) auc = roc_auc_score(y_test, y_proba) brier = brier_score_loss(y_test, y_proba) acc_mean, acc_lo, acc_hi = bootstrap_ci( lambda yt, yp: accuracy_score(yt, (yp > 0.5).astype(int)), y_test, y_proba, n_bootstrap=500 ) auc_mean, auc_lo, auc_hi = bootstrap_ci( roc_auc_score, y_test, y_proba, n_bootstrap=500 ) results[name] = { 'model': model, 'accuracy': acc, 'accuracy_ci': (acc_lo, acc_hi), 'auc': auc, 'auc_ci': (auc_lo, auc_hi), 'brier': brier, 'y_proba': y_proba, } print(f" Accuracy: {acc:.3f} [{acc_lo:.3f}, {acc_hi:.3f}]") print(f" AUC: {auc:.3f} [{auc_lo:.3f}, {auc_hi:.3f}]") print(f" Brier: {brier:.4f}") print("\n[4/5] Comparing weighting strategies...") n_flips_test = np.array([m['n_flips'] for m in meta_test]) strategies = { 'Hard (k=0)': (n_flips_test == 0).astype(float), 'Soft (k<=1)': (n_flips_test <= 1).astype(float), 'Soft (k<=2)': (n_flips_test <= 2).astype(float), 'Exp(-n)': exponential_weight(n_flips_test, decay=1.0), 'Exp(-0.5n)': exponential_weight(n_flips_test, decay=0.5), } for name, model_result in results.items(): strategies[f'Model: {name}'] = model_result['y_proba'] print("\n{:<25} | {:>10} | {:>10} | {:>12}".format( "Strategy", "Fidelity", "Util.", "Eff. Yield")) print("-" * 65) strategy_results = {} for strat_name, weights in strategies.items(): eval_result = evaluate_weighting(y_test, weights, meta_test) strategy_results[strat_name] = eval_result print("{:<25} | {:>9.1%} | {:>9.1%} | {:>11.1%}".format( strat_name, eval_result['weighted_fidelity'], eval_result['utilization'], eval_result['effective_yield'], )) print("\n[5/5] Feature importance (best model)...") best_model_name = max(results.keys(), key=lambda k: results[k]['auc']) best_model = results[best_model_name]['model'] feature_names = ['n_flips', 'n_meas', 'flip_rate'] + \ [f'pos_{i}' for i in range(16)] + \ ['early_flips', 'late_flips'] if hasattr(best_model, 'feature_importances_'): importances = best_model.feature_importances_ sorted_idx = np.argsort(importances)[::-1] print(f"\n Top features ({best_model_name}):") for i in sorted_idx[:10]: print(f" {feature_names[i]}: {importances[i]:.4f}") print("\n" + "=" * 70) print("SUMMARY") print("=" * 70) best_strat = max(strategy_results.keys(), key=lambda k: strategy_results[k]['effective_yield']) print(f"\nBest weighting strategy: {best_strat}") print(f" Effective yield: {strategy_results[best_strat]['effective_yield']:.1%}") exp_yield = strategy_results['Exp(-n)']['effective_yield'] best_yield = strategy_results[best_strat]['effective_yield'] if best_strat.startswith('Model'): improvement = (best_yield - exp_yield) / exp_yield * 100 print(f"\n Model improves over Exp(-n) by: {improvement:+.1f}%") else: print(f"\n Exp(-n) remains competitive (learned model not better)") output = { 'dataset_size': len(X), 'train_size': len(X_train), 'test_size': len(X_test), 'models': { name: { 'accuracy': r['accuracy'], 'accuracy_ci': r['accuracy_ci'], 'auc': r['auc'], 'auc_ci': r['auc_ci'], 'brier': r['brier'], } for name, r in results.items() }, 'weighting_strategies': { name: { 'fidelity': r['weighted_fidelity'], 'utilization': r['utilization'], 'effective_yield': r['effective_yield'], } for name, r in strategy_results.items() }, 'best_strategy': best_strat, } out_file = Path('D:/kishka/data/trajectory_model_results.json') out_file.parent.mkdir(exist_ok=True) with open(out_file, 'w') as f: json.dump(output, f, indent=2) print(f"\nSaved: {out_file}") return output if __name__ == "__main__": main()