#!/usr/bin/env python """CI coverage breakdown: diagnose why 95% CI has only 27% coverage.""" from _common import * from scptr.deep.synthetic import generate_kinetic_data OUT = output_dir("06_ci_coverage") def main(): set_figure_style() print("Generating synthetic data and fitting DeepPTR...") adata, truth = generate_kinetic_data(n_cells=1500, n_genes=100, seed=0) torch.set_num_threads(4) scptr.deep.fit_deepptr(adata, verbose=False, **DEEP_HP) gt = truth["gamma"] mu = adata.layers["gamma"] var = adata.layers["gamma_var"] z = 1.96 std = np.sqrt(np.clip(var, 1e-10, None)) inside = (gt >= mu - z * std) & (gt <= mu + z * std) overall = float(inside.mean()) per_gene = inside.mean(axis=0) per_cell = inside.mean(axis=1) # Diagnosis ci_width = np.median(2 * z * std) true_range = np.median(np.ptp(gt, axis=0)) rel_error = np.median(np.abs(mu - gt) / (gt + 1e-8)) print(f"\n Overall 95% CI coverage: {overall:.4f} (target: 0.95)") print(f" Median CI width: {ci_width:.4f}") print(f" Median true range: {true_range:.4f}") print(f" CI/range ratio: {ci_width / true_range:.4f}") print(f" Median relative error: {rel_error:.4f}") print(f" Diagnosis: {'Overconfident' if overall < 0.5 else 'Moderate'} " f"(posterior {ci_width/true_range:.1%} of true range)") # What would coverage be at different CI levels? levels = [0.50, 0.80, 0.90, 0.95, 0.99] coverages = [] for lev in levels: zl = stats.norm.ppf(0.5 + lev / 2) ins = (gt >= mu - zl * std) & (gt <= mu + zl * std) coverages.append(float(ins.mean())) print(f" {lev*100:.0f}% CI → actual coverage: {ins.mean():.4f}") results = { "overall_coverage": overall, "ci_width": float(ci_width), "true_range": float(true_range), "rel_error": float(rel_error), "calibration": [{"nominal": l, "actual": c} for l, c in zip(levels, coverages)], } save_json(results, "ci_coverage", OUT) # Calibration plot fig, axes = plt.subplots(1, 2, figsize=(12, 5)) axes[0].plot(levels, coverages, "o-", color="darkorange", label="Actual") axes[0].plot([0, 1], [0, 1], "k--", alpha=0.3, label="Perfect calibration") axes[0].set_xlabel("Nominal coverage") axes[0].set_ylabel("Actual coverage") axes[0].set_title("CI Calibration") axes[0].legend() axes[1].hist(per_gene, bins=20, color="steelblue", alpha=0.7) axes[1].axvline(0.95, color="red", ls="--", label="Target") axes[1].set_xlabel("Per-gene 95% CI coverage") axes[1].set_ylabel("Count") axes[1].set_title(f"Coverage distribution (median={np.median(per_gene):.3f})") axes[1].legend() fig.tight_layout() save_fig(fig, "ci_calibration", OUT) if __name__ == "__main__": main()