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@@ -1,2326 +0,0 @@
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-import numpy as np
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-import matplotlib.pyplot as plt
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-from scipy.optimize import minimize
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-
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-
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-# ============================================================
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-# Stable sigmoid
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-# ============================================================
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-
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-def _sigmoid_stable(z):
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- z = np.asarray(z, float)
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- z = np.clip(z, -50.0, 50.0)
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- return 1.0 / (1.0 + np.exp(-z))
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-
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-
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-# ============================================================
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-# 1) Model
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-# ============================================================
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-
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-def model_p(x, b):
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- """p(x|b) = sigmoid(b0 + b1*x)."""
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- x = np.asarray(x, float).reshape(-1)
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- b0, b1 = np.asarray(b, float).reshape(2)
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- return _sigmoid_stable(b0 + b1 * x)
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-
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-
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-def design_matrix(x):
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- """Design matrix X = [1, x]."""
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- x = np.asarray(x, float).reshape(-1)
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- return np.column_stack([np.ones_like(x), x])
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-
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-
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-# ============================================================
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-# 2) Likelihood
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-# ============================================================
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-
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-def nll(x, y, b, l2=0.0):
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- """
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- Penalized negative log-likelihood:
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- NLL(b) = -sum[y log p + (1-y) log(1-p)] + 0.5*l2*||b||^2
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- """
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- x = np.asarray(x, float).reshape(-1)
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- y = np.asarray(y, float).reshape(-1)
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- b = np.asarray(b, float).reshape(2)
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-
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- p = model_p(x, b)
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- eps = 1e-12
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- p = np.clip(p, eps, 1 - eps)
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-
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- base = -np.sum(y * np.log(p) + (1 - y) * np.log(1 - p))
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- pen = 0.5 * l2 * float(np.dot(b, b))
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- return base + pen
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-
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-
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-def llf(x, y, b):
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- """
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- Ordinary (unpenalized) log-likelihood at fitted parameters.
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- """
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- x = np.asarray(x, float).reshape(-1)
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- y = np.asarray(y, float).reshape(-1)
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- b = np.asarray(b, float).reshape(2)
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-
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- p = model_p(x, b)
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- eps = 1e-12
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- p = np.clip(p, eps, 1 - eps)
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- return float(np.sum(y * np.log(p) + (1 - y) * np.log(1 - p)))
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-
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-
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-# ============================================================
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-# 3) Gradient / Hessian / Covariance
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-# ============================================================
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-
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-def grad_nll(x, y, b, l2=0.0):
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- """
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- Gradient of penalized NLL:
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- g(b) = X^T (p - y) + l2*b
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- """
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- X = design_matrix(x)
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- y = np.asarray(y, float).reshape(-1)
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- b = np.asarray(b, float).reshape(2)
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-
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- p = model_p(x, b)
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- return X.T @ (p - y) + l2 * b
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-
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-
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-def hess_nll(x, b, l2=0.0):
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- """
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- Hessian of penalized NLL:
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- H(b) = X^T W X + l2*I
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- W = diag(p*(1-p))
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- """
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- X = design_matrix(x)
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- b = np.asarray(b, float).reshape(2)
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-
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- p = model_p(x, b)
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- w = p * (1 - p)
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- return X.T @ (w[:, None] * X) + l2 * np.eye(2)
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-
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-
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-def covariance(x, b, l2=0.0):
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- """
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- Cov(b) ≈ H(b)^(-1), where H is the penalized Hessian if l2 > 0.
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- Robust to near-singular Hessians.
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- """
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- H = hess_nll(x, b, l2=l2)
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- try:
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- return np.linalg.inv(H)
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- except np.linalg.LinAlgError:
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- return np.linalg.pinv(H)
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-
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-
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-def standard_errors(x, b, l2=0.0):
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- """
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- SE = sqrt(diag(Cov)).
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- """
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- C = covariance(x, b, l2=l2)
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- return np.sqrt(np.maximum(np.diag(C), 0.0))
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-
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-
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-# Compatibility alias
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-def logit_poly_cov(x, b, l2=0.0):
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- return covariance(x, b, l2=l2)
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-
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-
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-# ============================================================
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-# 4) Fit
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-# ============================================================
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-def fit_newton(x, y, b_start=None, max_iter=50, tol=1e-8, l2=0.0):
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- """
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- Newton updates for penalized NLL with backtracking line-search.
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-
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- Update:
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- b_new = b - alpha * H^{-1} g
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- alpha shrinks until NLL decreases.
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- """
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- x = np.asarray(x, float).reshape(-1)
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- y = np.asarray(y, int).reshape(-1)
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-
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- if b_start is None:
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- b = np.array([0.0, 0.0], float)
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- else:
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- b = np.asarray(b_start, float).reshape(2)
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-
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- f = nll(x, y, b, l2=l2)
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-
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- for _ in range(max_iter):
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- g = grad_nll(x, y, b, l2=l2)
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- H = hess_nll(x, b, l2=l2)
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-
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- try:
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- step = np.linalg.solve(H, g)
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- except np.linalg.LinAlgError:
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- step = np.linalg.pinv(H) @ g
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-
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- alpha = 1.0
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- while alpha > 1e-6:
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- b_new = b - alpha * step
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- f_new = nll(x, y, b_new, l2=l2)
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- if np.isfinite(f_new) and f_new <= f:
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- break
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- alpha *= 0.5
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-
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- if alpha <= 1e-6:
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- break
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-
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- if np.max(np.abs(b_new - b)) < tol:
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- b = b_new
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- break
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-
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- b, f = b_new, f_new
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-
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- return b
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-
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-
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-# ============================================================
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-# 14) Overlay plot (LOG left, RAW right)
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-# ============================================================
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-def plot_overlay_two_panels_final(
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- r_log_full, r_log_trim, r_raw_full, r_raw_trim,
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- dy_full=-0.010, dy_trim=0.010
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-):
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- import numpy as np
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- import matplotlib.pyplot as plt
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-
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- COL_NC = "#4C78A8"
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- COL_AE = "#F58518"
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- COL_FULL = "#1f77b4"
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- COL_TRIM = "#ff7f0e"
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-
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- fig, axes = plt.subplots(1, 2, figsize=(9.5, 3.5), sharey=True)
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- ax1, ax2 = axes
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-
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- def draw_panel(ax, r_full, r_trim, xlabel, panel_label,
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- show_legend=False):
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-
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- xF = np.asarray(r_full["x"], float)
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- yF = np.asarray(r_full["y"], int)
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-
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- xT = np.asarray(r_trim["x"], float)
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- yT = np.asarray(r_trim["y"], int)
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-
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- xx = np.linspace(
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- min(xF.min(), xT.min()),
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- max(xF.max(), xT.max()),
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- 500
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- )
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-
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- # keep x-values unchanged
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- xF_plot = xF
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- xT_plot = xT
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-
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- # vertical offsets only
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- yF_plot = yF + np.where(yF == 0, dy_full, -dy_full)
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- yT_plot = yT + np.where(yT == 0, dy_trim, -dy_trim)
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-
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- # FULL = filled markers
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- ax.scatter(
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- xF_plot[yF == 0], yF_plot[yF == 0],
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- s=16,
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- color=COL_NC,
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- alpha=0.70,
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- edgecolors="none",
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- label="data: FULL NC",
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- zorder=3
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- )
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-
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- ax.scatter(
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- xF_plot[yF == 1], yF_plot[yF == 1],
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- s=16,
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- color=COL_AE,
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- alpha=0.80,
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- edgecolors="none",
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- label="data: FULL AE",
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- zorder=3
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- )
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-
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- # TRIM = outlined markers
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- ax.scatter(
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- xT_plot[yT == 0], yT_plot[yT == 0],
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- s=24,
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- facecolors=COL_NC,
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- edgecolors="black",
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- linewidths=0.45,
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- alpha=0.95,
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- label="data: TRIM NC",
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- zorder=4
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- )
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-
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- ax.scatter(
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- xT_plot[yT == 1], yT_plot[yT == 1],
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- s=24,
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- facecolors=COL_AE,
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- edgecolors="black",
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- linewidths=0.45,
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- alpha=0.95,
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- label="data: TRIM AE",
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- zorder=4
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- )
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-
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- # logistic fits
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- ax.plot(
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- xx,
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- model_p(xx, r_full["b"]),
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- lw=1.8,
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- color=COL_FULL,
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- label="fit FULL",
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- zorder=2
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- )
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-
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- ax.plot(
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- xx,
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- model_p(xx, r_trim["b"]),
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- lw=1.8,
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- color=COL_TRIM,
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- label="fit TRIM",
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- zorder=2
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- )
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-
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- # legend only in panel B
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- if show_legend:
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- ax.legend(
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- loc="lower right",
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- fontsize=7,
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- markerscale=0.9,
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- frameon=True,
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- framealpha=1.0,
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- edgecolor="0.7",
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- handlelength=1.8,
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- borderpad=0.4,
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- labelspacing=0.4,
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- handletextpad=0.5
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- )
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-
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- ax.set_xlabel(xlabel)
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- ax.set_ylim(-0.08, 1.08)
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-
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- ax.text(
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- 0.05, 0.90,
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- panel_label,
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- transform=ax.transAxes,
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- fontsize=11
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- )
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-
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- draw_panel(
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- ax1,
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- r_log_full,
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- r_log_trim,
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- "log(X)",
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- "A",
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- show_legend=False
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- )
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-
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- draw_panel(
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- ax2,
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- r_raw_full,
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- r_raw_trim,
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- "X",
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- "B",
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- show_legend=True
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- )
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-
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- ax1.set_ylabel("P(AE | X = x)")
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-
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- for ax in axes:
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- ax.grid(False)
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- ax.tick_params(labelsize=8)
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-
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- plt.tight_layout()
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- plt.show()
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-
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- return fig, axes
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-
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- return fig, axes
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-# ============================================================
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-# 5) Goodness of fit
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-# ============================================================
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-
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-def goodness_of_fit(x, y, b, thresh=0.5, l2=0.0):
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- """
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- Returns:
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- LLF, NLL, AIC, BIC, Accuracy, n, k
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-
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- Notes
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- -----
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- Fit may use l2 > 0, but GOF metrics below are computed from the
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- ordinary (unpenalized) likelihood evaluated at the fitted parameters.
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- The argument l2 is kept only for interface consistency.
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- """
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- x = np.asarray(x, float).reshape(-1)
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- y = np.asarray(y, int).reshape(-1)
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- b = np.asarray(b, float).reshape(2)
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-
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- p = model_p(x, b)
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- eps = 1e-12
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- p = np.clip(p, eps, 1 - eps)
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-
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- LLF = np.sum(y * np.log(p) + (1 - y) * np.log(1 - p))
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- NLL = -LLF
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-
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- n = len(x)
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- k = len(b)
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-
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- AIC = 2 * k - 2 * LLF
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- BIC = k * np.log(n) - 2 * LLF
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-
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- yhat = (p >= thresh).astype(int)
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- acc = np.mean(yhat == y)
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-
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- return {
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- "LLF": float(LLF),
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- "NLL": float(NLL),
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- "AIC": float(AIC),
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- "BIC": float(BIC),
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- "A": float(acc),
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- "n": int(n),
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- "k": int(k),
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- }
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-
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-
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-# ============================================================
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-# 6) x50 / Wald helpers / compact fit
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-# ============================================================
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-def x50(b):
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- """
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- Model-scale midpoint:
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- x50 = -b0 / b1
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-
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- For LOG panels, this is on the log(x) scale.
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- Raw-scale SUV50 is exp(x50).
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- """
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- b0, b1 = np.asarray(b, float).reshape(2)
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- return np.nan if np.abs(b1) < 1e-12 else (-b0 / b1)
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-
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-
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-def check_x50_consistency(P):
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- """
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- Diagnostic check for x50 consistency.
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-
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- For LOG models:
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- x50_model is on log(X) scale
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- SUV50 is on raw X scale = exp(x50_model)
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-
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- For RAW models:
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- x50_model = SUV50
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-
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- Correct result:
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- P(x50_model) should be approximately 0.5
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- """
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- for key, pk in P.items():
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- b = np.asarray(pk["b"], float).reshape(2)
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- trans = pk.get("transform", "")
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-
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- x50_model = x50(b)
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- suv50 = np.exp(x50_model) if trans == "log" else x50_model
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- p_at_x50 = model_p(np.array([x50_model]), b)[0]
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-
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- print(
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- key,
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- "| transform =", trans,
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- "| x50_model =", x50_model,
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- "| SUV50 =", suv50,
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- "| P(x50) =", p_at_x50
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- )
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|
-
|
|
|
-
|
|
|
-def x50_wald_ci(b, cov, z=1.959963984540054):
|
|
|
- """
|
|
|
- Wald CI for x50 = -b0/b1 via delta method.
|
|
|
- Returned on MODEL scale.
|
|
|
- """
|
|
|
- b = np.asarray(b, float).reshape(2)
|
|
|
- cov = np.asarray(cov, float).reshape(2, 2)
|
|
|
- b0, b1 = b
|
|
|
-
|
|
|
- if np.abs(b1) < 1e-12:
|
|
|
- return np.nan, np.nan
|
|
|
-
|
|
|
- xhat = -b0 / b1
|
|
|
- grad = np.array([-1.0 / b1, b0 / (b1 ** 2)], float)
|
|
|
- var = float(grad.T @ cov @ grad)
|
|
|
- se = np.sqrt(max(var, 0.0))
|
|
|
- return float(xhat - z * se), float(xhat + z * se)
|
|
|
-
|
|
|
-
|
|
|
-def wald_ci(b, cov, z=1.959963984540054):
|
|
|
- """
|
|
|
- Wald CI for parameters: b_i ± z*SE_i.
|
|
|
- """
|
|
|
- b = np.asarray(b, float).reshape(2)
|
|
|
- cov = np.asarray(cov, float).reshape(2, 2)
|
|
|
- se = np.sqrt(np.maximum(np.diag(cov), 0.0))
|
|
|
- return b - z * se, b + z * se
|
|
|
-
|
|
|
-
|
|
|
-def fit_pack(x, y, name="", thresh=0.5, l2=0.0, z=1.959963984540054):
|
|
|
- """
|
|
|
- Fit + covariance + GOF + parameter Wald CI.
|
|
|
- x should already be on the MODEL scale.
|
|
|
- """
|
|
|
- x = np.asarray(x, float).reshape(-1)
|
|
|
- y = np.asarray(y, int).reshape(-1)
|
|
|
-
|
|
|
- b = fit_newton(x, y, l2=l2)
|
|
|
- cov = covariance(x, b, l2=l2)
|
|
|
- gof = goodness_of_fit(x, y, b, thresh=thresh, l2=l2)
|
|
|
- lcl, ucl = wald_ci(b, cov, z=z)
|
|
|
-
|
|
|
- return {
|
|
|
- "name": name,
|
|
|
- "x": x,
|
|
|
- "y": y,
|
|
|
- "b": b,
|
|
|
- "cov": cov,
|
|
|
- "gof": gof,
|
|
|
- "LCL": lcl,
|
|
|
- "UCL": ucl,
|
|
|
- "l2": float(l2),
|
|
|
- }
|
|
|
-
|
|
|
-
|
|
|
-def trim_nc_by_value(x_raw, y, target=2.48, tol=0.05):
|
|
|
- """
|
|
|
- Remove ONE NC sample (y==0) with x_raw closest to target.
|
|
|
- """
|
|
|
- x_raw = np.asarray(x_raw, float).reshape(-1)
|
|
|
- y = np.asarray(y, int).reshape(-1)
|
|
|
-
|
|
|
- nc_idx = np.where(y == 0)[0]
|
|
|
- if len(nc_idx) == 0:
|
|
|
- raise ValueError("No NC samples found (y==0).")
|
|
|
-
|
|
|
- j = nc_idx[np.argmin(np.abs(x_raw[nc_idx] - target))]
|
|
|
- diff = float(np.abs(x_raw[j] - target))
|
|
|
- if diff > tol:
|
|
|
- print(f"[trim warning] closest NC to {target} is {x_raw[j]:.6f} (diff={diff:.6f}) > tol={tol}")
|
|
|
-
|
|
|
- mask = np.ones_like(y, dtype=bool)
|
|
|
- mask[j] = False
|
|
|
- print(f"[trim] removed index={j}, x_raw={x_raw[j]:.6f}, y={y[j]}")
|
|
|
- return x_raw[mask], y[mask]
|
|
|
-
|
|
|
-def s50_from_b(b, transform="raw"):
|
|
|
- """
|
|
|
- Local slope s50 = dp/dx at x50 on RAW x scale.
|
|
|
- """
|
|
|
- b = np.asarray(b, float).reshape(2)
|
|
|
- b0, b1 = b
|
|
|
-
|
|
|
- if np.abs(b1) < 1e-12:
|
|
|
- return np.nan
|
|
|
-
|
|
|
- x50_model = x50(b)
|
|
|
-
|
|
|
- if transform == "raw":
|
|
|
- return float(b1 / 4.0)
|
|
|
-
|
|
|
- elif transform == "log":
|
|
|
- x50_raw = np.exp(x50_model)
|
|
|
- return float(b1 / (4.0 * x50_raw))
|
|
|
-
|
|
|
- else:
|
|
|
- raise ValueError("transform must be 'raw' or 'log'")
|
|
|
-
|
|
|
-
|
|
|
-def s50_normal_ci_from_mvnorm(
|
|
|
- b, cov, transform="raw",
|
|
|
- M=200000, seed=123, alpha=0.05,
|
|
|
- enforce_positive_slope=True, slope_eps=1e-10
|
|
|
-):
|
|
|
- """
|
|
|
- Normal-on-MLE CI for s50.
|
|
|
- """
|
|
|
- rng = np.random.default_rng(seed)
|
|
|
-
|
|
|
- b = np.asarray(b, float).reshape(2)
|
|
|
- cov = np.asarray(cov, float).reshape(2, 2)
|
|
|
-
|
|
|
- vals = []
|
|
|
- tries = 0
|
|
|
- max_tries = 20 * M
|
|
|
-
|
|
|
- while len(vals) < M and tries < max_tries:
|
|
|
- tries += 1
|
|
|
-
|
|
|
- bb = rng.multivariate_normal(mean=b, cov=cov)
|
|
|
-
|
|
|
- if not np.all(np.isfinite(bb)):
|
|
|
- continue
|
|
|
-
|
|
|
- if enforce_positive_slope and bb[1] <= slope_eps:
|
|
|
- continue
|
|
|
-
|
|
|
- val = s50_from_b(bb, transform=transform)
|
|
|
-
|
|
|
- if np.isfinite(val):
|
|
|
- vals.append(val)
|
|
|
-
|
|
|
- if len(vals) == 0:
|
|
|
- return np.nan, np.nan, np.nan, 0
|
|
|
-
|
|
|
- vals = np.asarray(vals, float)
|
|
|
- q = np.quantile(vals, [alpha / 2, 0.5, 1.0 - alpha / 2])
|
|
|
-
|
|
|
- return float(q[0]), float(q[1]), float(q[2]), int(len(vals))
|
|
|
-
|
|
|
-
|
|
|
-def s50_wald_ci_numeric(
|
|
|
- b, cov, transform="raw",
|
|
|
- z=1.959963984540054,
|
|
|
- eps=1e-5
|
|
|
-):
|
|
|
- """
|
|
|
- Delta-method CI for s50 using numerical derivatives.
|
|
|
- """
|
|
|
- b = np.asarray(b, float).reshape(2)
|
|
|
- cov = np.asarray(cov, float).reshape(2, 2)
|
|
|
-
|
|
|
- s_hat = s50_from_b(b, transform=transform)
|
|
|
-
|
|
|
- if not np.isfinite(s_hat):
|
|
|
- return np.nan, np.nan
|
|
|
-
|
|
|
- grad = np.zeros(2, float)
|
|
|
-
|
|
|
- for j in range(2):
|
|
|
- step = eps * max(1.0, abs(b[j]))
|
|
|
-
|
|
|
- bp = b.copy()
|
|
|
- bm = b.copy()
|
|
|
-
|
|
|
- bp[j] += step
|
|
|
- bm[j] -= step
|
|
|
-
|
|
|
- sp = s50_from_b(bp, transform=transform)
|
|
|
- sm = s50_from_b(bm, transform=transform)
|
|
|
-
|
|
|
- grad[j] = (sp - sm) / (2.0 * step)
|
|
|
-
|
|
|
- var = float(grad.T @ cov @ grad)
|
|
|
- se = np.sqrt(max(var, 0.0))
|
|
|
-
|
|
|
- return float(s_hat - z * se), float(s_hat + z * se)
|
|
|
-
|
|
|
-
|
|
|
-# ============================================================
|
|
|
-# 7) Alternative confidence-interval estimation
|
|
|
-# ============================================================
|
|
|
-# Final terminology:
|
|
|
-# Wald : analytical approximation using the fitted covariance;
|
|
|
-# MC : Monte Carlo propagation from the local Gaussian approximation;
|
|
|
-# Nonparametric : ordinary patient-level nonparametric bootstrap;
|
|
|
-# Stratified : class-stratified nonparametric bootstrap, retained for comparison;
|
|
|
-# Parametric : model-based Bernoulli bootstrap.
|
|
|
-#
|
|
|
-# The delta method is used internally for analytical propagation under
|
|
|
-# the Wald approximation; it is not treated as a separate method.
|
|
|
-
|
|
|
-from collections import OrderedDict
|
|
|
-
|
|
|
-
|
|
|
-CI_METHODS = [
|
|
|
- "Wald",
|
|
|
- "MC",
|
|
|
- "Nonparametric",
|
|
|
- "Stratified",
|
|
|
- "Parametric",
|
|
|
-]
|
|
|
-
|
|
|
-MC_DRAWS_BANDS = 20_000
|
|
|
-MC_DRAWS_TABLE = 200_000
|
|
|
-
|
|
|
-
|
|
|
-def eta_se_grid(x_grid, cov):
|
|
|
- """Standard error of eta(x) = b0 + b1*x on a model-scale grid."""
|
|
|
- x_grid = np.asarray(x_grid, float).reshape(-1)
|
|
|
- cov = np.asarray(cov, float).reshape(2, 2)
|
|
|
-
|
|
|
- Xg = design_matrix(x_grid)
|
|
|
- var_eta = np.einsum("ij,jk,ik->i", Xg, cov, Xg)
|
|
|
- return np.sqrt(np.maximum(var_eta, 0.0))
|
|
|
-
|
|
|
-
|
|
|
-def ci_band_wald(x_grid, b, cov, z=1.959963984540054):
|
|
|
- """
|
|
|
- Pointwise Wald confidence band for p(x).
|
|
|
-
|
|
|
- The fitted-parameter covariance is propagated to the probability scale
|
|
|
- using the first-order delta method.
|
|
|
- """
|
|
|
- x_grid = np.asarray(x_grid, float).reshape(-1)
|
|
|
- b = np.asarray(b, float).reshape(2)
|
|
|
-
|
|
|
- p = model_p(x_grid, b)
|
|
|
- se_eta = eta_se_grid(x_grid, cov)
|
|
|
- se_p = p * (1.0 - p) * se_eta
|
|
|
-
|
|
|
- lo = np.clip(p - z * se_p, 0.0, 1.0)
|
|
|
- hi = np.clip(p + z * se_p, 0.0, 1.0)
|
|
|
- return lo, p, hi
|
|
|
-
|
|
|
-
|
|
|
-# Historical alias retained for notebook compatibility.
|
|
|
-def ci_band_delta(x_grid, b, cov, z=1.959963984540054):
|
|
|
- return ci_band_wald(x_grid, b, cov, z=z)
|
|
|
-
|
|
|
-
|
|
|
-def gaussian_parameter_draws(
|
|
|
- b,
|
|
|
- cov,
|
|
|
- M=MC_DRAWS_BANDS,
|
|
|
- seed=123,
|
|
|
- enforce_positive_slope=True,
|
|
|
- slope_eps=1e-10,
|
|
|
- x50_bounds=None,
|
|
|
-):
|
|
|
- """
|
|
|
- Draw beta* ~ N(beta_hat, Cov_hat) for Monte Carlo propagation.
|
|
|
-
|
|
|
- Parameters
|
|
|
- ----------
|
|
|
- x50_bounds : tuple(float, float) or None
|
|
|
- Optional admissible interval for model-scale x50. When supplied,
|
|
|
- draws with x50 outside [lower, upper] are rejected.
|
|
|
- """
|
|
|
- rng = np.random.default_rng(seed)
|
|
|
-
|
|
|
- b = np.asarray(b, float).reshape(2)
|
|
|
- cov = np.asarray(cov, float).reshape(2, 2)
|
|
|
-
|
|
|
- draws = []
|
|
|
- attempts = 0
|
|
|
- rejected_nonfinite = 0
|
|
|
- rejected_slope = 0
|
|
|
- rejected_x50 = 0
|
|
|
-
|
|
|
- max_attempts = max(50 * int(M), 1000)
|
|
|
-
|
|
|
- while len(draws) < int(M) and attempts < max_attempts:
|
|
|
- attempts += 1
|
|
|
-
|
|
|
- try:
|
|
|
- bb = rng.multivariate_normal(mean=b, cov=cov)
|
|
|
- except Exception:
|
|
|
- break
|
|
|
-
|
|
|
- if not np.all(np.isfinite(bb)):
|
|
|
- rejected_nonfinite += 1
|
|
|
- continue
|
|
|
-
|
|
|
- if enforce_positive_slope and bb[1] <= slope_eps:
|
|
|
- rejected_slope += 1
|
|
|
- continue
|
|
|
-
|
|
|
- if x50_bounds is not None:
|
|
|
- x50_draw = x50(bb)
|
|
|
-
|
|
|
- if not np.isfinite(x50_draw):
|
|
|
- rejected_x50 += 1
|
|
|
- continue
|
|
|
-
|
|
|
- x50_lower, x50_upper = x50_bounds
|
|
|
-
|
|
|
- if not (x50_lower <= x50_draw <= x50_upper):
|
|
|
- rejected_x50 += 1
|
|
|
- continue
|
|
|
-
|
|
|
- draws.append(bb)
|
|
|
-
|
|
|
- arr = np.asarray(draws, float) if draws else np.empty((0, 2), float)
|
|
|
-
|
|
|
- diagnostics = {
|
|
|
- "attempted": int(attempts),
|
|
|
- "successful": int(len(arr)),
|
|
|
- "rejected": int(attempts - len(arr)),
|
|
|
- "rejected_nonfinite": int(rejected_nonfinite),
|
|
|
- "rejected_slope": int(rejected_slope),
|
|
|
- "rejected_x50": int(rejected_x50),
|
|
|
- "success_rate": (
|
|
|
- float(len(arr) / attempts)
|
|
|
- if attempts > 0 else np.nan
|
|
|
- ),
|
|
|
- }
|
|
|
-
|
|
|
- return arr, diagnostics
|
|
|
-
|
|
|
-def bootstrap_band_from_params(x_grid, pars, alpha=0.05):
|
|
|
- """Convert parameter draws to pointwise confidence bands."""
|
|
|
- x_grid = np.asarray(x_grid, float).reshape(-1)
|
|
|
- pars = np.asarray(pars, float)
|
|
|
-
|
|
|
- if pars.ndim != 2 or pars.shape[0] == 0:
|
|
|
- nan = np.full_like(x_grid, np.nan, dtype=float)
|
|
|
- return nan, nan, nan
|
|
|
-
|
|
|
- curves = np.asarray([model_p(x_grid, bb) for bb in pars], float)
|
|
|
- q = np.quantile(curves, [alpha / 2, 0.5, 1.0 - alpha / 2], axis=0)
|
|
|
- return q[0], q[1], q[2]
|
|
|
-
|
|
|
-
|
|
|
-def ci_band_normal_mle_sim(
|
|
|
- x_grid,
|
|
|
- b,
|
|
|
- cov,
|
|
|
- M=MC_DRAWS_BANDS,
|
|
|
- seed=123,
|
|
|
- alpha=0.05,
|
|
|
- enforce_positive_slope=True,
|
|
|
- enforce_x50_in_grid=False,
|
|
|
- slope_eps=1e-10,
|
|
|
-):
|
|
|
- """
|
|
|
- Monte Carlo confidence band from the local Gaussian approximation.
|
|
|
-
|
|
|
- The historical function name and signature are retained. The old
|
|
|
- x50-in-grid filter is intentionally ignored.
|
|
|
- """
|
|
|
- draws, _ = gaussian_parameter_draws(
|
|
|
- b,
|
|
|
- cov,
|
|
|
- M=M,
|
|
|
- seed=seed,
|
|
|
- enforce_positive_slope=enforce_positive_slope,
|
|
|
- slope_eps=slope_eps,
|
|
|
- )
|
|
|
- return bootstrap_band_from_params(x_grid, draws, alpha=alpha)
|
|
|
-
|
|
|
-
|
|
|
-def x50_normal_ci_from_mvnorm(
|
|
|
- b,
|
|
|
- cov,
|
|
|
- M=MC_DRAWS_TABLE,
|
|
|
- seed=123,
|
|
|
- alpha=0.05,
|
|
|
- enforce_positive_slope=True,
|
|
|
- slope_eps=1e-10,
|
|
|
-):
|
|
|
- """Monte Carlo interval for model-scale x50 = -b0/b1."""
|
|
|
- draws, _ = gaussian_parameter_draws(
|
|
|
- b,
|
|
|
- cov,
|
|
|
- M=M,
|
|
|
- seed=seed,
|
|
|
- enforce_positive_slope=enforce_positive_slope,
|
|
|
- slope_eps=slope_eps,
|
|
|
- )
|
|
|
-
|
|
|
- if len(draws) == 0:
|
|
|
- return np.nan, np.nan, np.nan, 0
|
|
|
-
|
|
|
- vals = np.asarray([x50(bb) for bb in draws], float)
|
|
|
- vals = vals[np.isfinite(vals)]
|
|
|
-
|
|
|
- if len(vals) == 0:
|
|
|
- return np.nan, np.nan, np.nan, 0
|
|
|
-
|
|
|
- q = np.quantile(vals, [alpha / 2, 0.5, 1.0 - alpha / 2])
|
|
|
- return float(q[0]), float(q[1]), float(q[2]), int(len(vals))
|
|
|
-
|
|
|
-
|
|
|
-def s50_mc_ci_from_mvnorm(
|
|
|
- b,
|
|
|
- cov,
|
|
|
- transform="raw",
|
|
|
- M=MC_DRAWS_TABLE,
|
|
|
- seed=123,
|
|
|
- alpha=0.05,
|
|
|
- enforce_positive_slope=True,
|
|
|
- slope_eps=1e-10,
|
|
|
-):
|
|
|
- """Monte Carlo interval for raw-scale midpoint slope s50."""
|
|
|
- draws, _ = gaussian_parameter_draws(
|
|
|
- b,
|
|
|
- cov,
|
|
|
- M=M,
|
|
|
- seed=seed,
|
|
|
- enforce_positive_slope=enforce_positive_slope,
|
|
|
- slope_eps=slope_eps,
|
|
|
- )
|
|
|
-
|
|
|
- if len(draws) == 0:
|
|
|
- return np.nan, np.nan, np.nan, 0
|
|
|
-
|
|
|
- vals = np.asarray(
|
|
|
- [s50_from_b(bb, transform=transform) for bb in draws],
|
|
|
- float,
|
|
|
- )
|
|
|
- vals = vals[np.isfinite(vals)]
|
|
|
-
|
|
|
- if len(vals) == 0:
|
|
|
- return np.nan, np.nan, np.nan, 0
|
|
|
-
|
|
|
- q = np.quantile(vals, [alpha / 2, 0.5, 1.0 - alpha / 2])
|
|
|
- return float(q[0]), float(q[1]), float(q[2]), int(len(vals))
|
|
|
-
|
|
|
-
|
|
|
-# Historical alias retained.
|
|
|
-def s50_normal_ci_from_mvnorm(
|
|
|
- b,
|
|
|
- cov,
|
|
|
- transform="raw",
|
|
|
- M=MC_DRAWS_TABLE,
|
|
|
- seed=123,
|
|
|
- alpha=0.05,
|
|
|
- enforce_positive_slope=True,
|
|
|
- slope_eps=1e-10,
|
|
|
-):
|
|
|
- return s50_mc_ci_from_mvnorm(
|
|
|
- b,
|
|
|
- cov,
|
|
|
- transform=transform,
|
|
|
- M=M,
|
|
|
- seed=seed,
|
|
|
- alpha=alpha,
|
|
|
- enforce_positive_slope=enforce_positive_slope,
|
|
|
- slope_eps=slope_eps,
|
|
|
- )
|
|
|
-
|
|
|
-
|
|
|
-# ============================================================
|
|
|
-# 8) Bootstrap parameter generators
|
|
|
-# ============================================================
|
|
|
-
|
|
|
-def bootstrap_params_nonparametric(
|
|
|
- x,
|
|
|
- y,
|
|
|
- B=2000,
|
|
|
- seed=123,
|
|
|
- l2=0.0,
|
|
|
- b_start=None,
|
|
|
-):
|
|
|
- """Ordinary patient-level nonparametric bootstrap."""
|
|
|
- rng = np.random.default_rng(seed)
|
|
|
-
|
|
|
- x = np.asarray(x, float).reshape(-1)
|
|
|
- y = np.asarray(y, int).reshape(-1)
|
|
|
- n = len(y)
|
|
|
-
|
|
|
- out = []
|
|
|
- failed = 0
|
|
|
-
|
|
|
- for _ in range(int(B)):
|
|
|
- idx = rng.choice(n, size=n, replace=True)
|
|
|
- xb = x[idx]
|
|
|
- yb = y[idx]
|
|
|
-
|
|
|
- if np.unique(yb).size < 2:
|
|
|
- failed += 1
|
|
|
- continue
|
|
|
-
|
|
|
- try:
|
|
|
- bb = fit_newton(xb, yb, b_start=b_start, l2=l2)
|
|
|
- if np.all(np.isfinite(bb)):
|
|
|
- out.append(bb)
|
|
|
- else:
|
|
|
- failed += 1
|
|
|
- except Exception:
|
|
|
- failed += 1
|
|
|
-
|
|
|
- arr = np.asarray(out, float) if out else np.empty((0, 2), float)
|
|
|
- diagnostics = {
|
|
|
- "attempted": int(B),
|
|
|
- "successful": int(len(arr)),
|
|
|
- "failed": int(failed),
|
|
|
- }
|
|
|
- return arr, diagnostics
|
|
|
-
|
|
|
-
|
|
|
-
|
|
|
-# Historical alias retained for older notebook cells.
|
|
|
-def bootstrap_params_ordinary(
|
|
|
- x,
|
|
|
- y,
|
|
|
- B=2000,
|
|
|
- seed=123,
|
|
|
- l2=0.0,
|
|
|
- b_start=None,
|
|
|
-):
|
|
|
- return bootstrap_params_nonparametric(
|
|
|
- x,
|
|
|
- y,
|
|
|
- B=B,
|
|
|
- seed=seed,
|
|
|
- l2=l2,
|
|
|
- b_start=b_start,
|
|
|
- )
|
|
|
-
|
|
|
-
|
|
|
-def bootstrap_params_stratified(
|
|
|
- x,
|
|
|
- y,
|
|
|
- B=2000,
|
|
|
- seed=123,
|
|
|
- l2=0.0,
|
|
|
- b_start=None,
|
|
|
-):
|
|
|
- """Class-stratified nonparametric bootstrap preserving class counts."""
|
|
|
- rng = np.random.default_rng(seed)
|
|
|
-
|
|
|
- x = np.asarray(x, float).reshape(-1)
|
|
|
- y = np.asarray(y, int).reshape(-1)
|
|
|
-
|
|
|
- x0 = x[y == 0]
|
|
|
- x1 = x[y == 1]
|
|
|
- n0 = len(x0)
|
|
|
- n1 = len(x1)
|
|
|
-
|
|
|
- if n0 == 0 or n1 == 0:
|
|
|
- return np.empty((0, 2), float), {
|
|
|
- "attempted": int(B),
|
|
|
- "successful": 0,
|
|
|
- "failed": int(B),
|
|
|
- }
|
|
|
-
|
|
|
- out = []
|
|
|
- failed = 0
|
|
|
-
|
|
|
- for _ in range(int(B)):
|
|
|
- xb0 = rng.choice(x0, size=n0, replace=True)
|
|
|
- xb1 = rng.choice(x1, size=n1, replace=True)
|
|
|
-
|
|
|
- xb = np.concatenate([xb0, xb1])
|
|
|
- yb = np.concatenate([
|
|
|
- np.zeros(n0, dtype=int),
|
|
|
- np.ones(n1, dtype=int),
|
|
|
- ])
|
|
|
-
|
|
|
- try:
|
|
|
- bb = fit_newton(xb, yb, b_start=b_start, l2=l2)
|
|
|
- if np.all(np.isfinite(bb)):
|
|
|
- out.append(bb)
|
|
|
- else:
|
|
|
- failed += 1
|
|
|
- except Exception:
|
|
|
- failed += 1
|
|
|
-
|
|
|
- arr = np.asarray(out, float) if out else np.empty((0, 2), float)
|
|
|
- diagnostics = {
|
|
|
- "attempted": int(B),
|
|
|
- "successful": int(len(arr)),
|
|
|
- "failed": int(failed),
|
|
|
- "success_rate": float(len(arr) / B) if B > 0 else np.nan,
|
|
|
- }
|
|
|
- return arr, diagnostics
|
|
|
-
|
|
|
-
|
|
|
-def bootstrap_params_parametric(
|
|
|
- x,
|
|
|
- b,
|
|
|
- B=2000,
|
|
|
- seed=123,
|
|
|
- l2=0.0,
|
|
|
- min_ae=2,
|
|
|
-):
|
|
|
- """
|
|
|
- Parametric bootstrap with y* ~ Bernoulli[p_hat(x)].
|
|
|
-
|
|
|
- ``min_ae`` is retained for compatibility.
|
|
|
- """
|
|
|
- rng = np.random.default_rng(seed)
|
|
|
-
|
|
|
- x = np.asarray(x, float).reshape(-1)
|
|
|
- b = np.asarray(b, float).reshape(2)
|
|
|
-
|
|
|
- p = model_p(x, b)
|
|
|
- n = len(x)
|
|
|
-
|
|
|
- out = []
|
|
|
- tries = 0
|
|
|
- max_tries = max(10 * int(B), 1000)
|
|
|
-
|
|
|
- while len(out) < int(B) and tries < max_tries:
|
|
|
- tries += 1
|
|
|
- yb = rng.binomial(1, p, size=n).astype(int)
|
|
|
-
|
|
|
- n1 = int(np.sum(yb))
|
|
|
- n0 = n - n1
|
|
|
-
|
|
|
- if n1 < int(min_ae) or n0 < 1:
|
|
|
- continue
|
|
|
-
|
|
|
- try:
|
|
|
- bb = fit_newton(x, yb, b_start=b, l2=l2)
|
|
|
- if np.all(np.isfinite(bb)):
|
|
|
- out.append(bb)
|
|
|
- except Exception:
|
|
|
- pass
|
|
|
-
|
|
|
- arr = np.asarray(out, float) if out else np.empty((0, 2), float)
|
|
|
- diagnostics = {
|
|
|
- "attempted": int(tries),
|
|
|
- "successful": int(len(arr)),
|
|
|
- "failed_or_rejected": int(tries - len(arr)),
|
|
|
- "success_rate": float(len(arr) / tries) if tries > 0 else np.nan,
|
|
|
- }
|
|
|
- return arr, diagnostics
|
|
|
-
|
|
|
-
|
|
|
-# ============================================================
|
|
|
-# 9) High-level wrapper for one panel
|
|
|
-# ============================================================
|
|
|
-
|
|
|
-def fit_ci_pack_rawgrid(
|
|
|
- x_raw,
|
|
|
- y,
|
|
|
- transform="raw",
|
|
|
- xmax_raw=None,
|
|
|
- grid_n=500,
|
|
|
- name="",
|
|
|
- l2=0.0,
|
|
|
- B=2000,
|
|
|
- seed=123,
|
|
|
- min_ae=2,
|
|
|
- z=1.959963984540054,
|
|
|
-):
|
|
|
- """
|
|
|
- Fit one validated logistic model and construct five uncertainty summaries.
|
|
|
- """
|
|
|
- x_raw = np.asarray(x_raw, float).reshape(-1)
|
|
|
- y = np.asarray(y, int).reshape(-1)
|
|
|
-
|
|
|
- if transform not in ("raw", "log"):
|
|
|
- raise ValueError("transform must be 'raw' or 'log'")
|
|
|
-
|
|
|
- x_raw = np.clip(x_raw, 1e-12, None)
|
|
|
- x_model = x_raw if transform == "raw" else np.log(x_raw)
|
|
|
-
|
|
|
- # Single validated fitting path.
|
|
|
- validated = fit_pack(
|
|
|
- x_model,
|
|
|
- y,
|
|
|
- name=name,
|
|
|
- l2=l2,
|
|
|
- z=z,
|
|
|
- )
|
|
|
- b = validated["b"]
|
|
|
- cov = validated["cov"]
|
|
|
- gof = validated["gof"]
|
|
|
-
|
|
|
- xmin_raw = float(np.min(x_raw))
|
|
|
- xmax0 = float(np.max(x_raw))
|
|
|
- xmax_use = xmax0 if xmax_raw is None else max(float(xmax_raw), xmax0)
|
|
|
-
|
|
|
- x_grid_raw = np.linspace(xmin_raw, xmax_use, int(grid_n))
|
|
|
- x_grid_raw = np.clip(x_grid_raw, 1e-12, None)
|
|
|
- x_grid_model = x_grid_raw if transform == "raw" else np.log(x_grid_raw)
|
|
|
-
|
|
|
- mc_x50_bounds = (
|
|
|
- float(np.min(x_grid_model)),
|
|
|
- float(np.max(x_grid_model)),
|
|
|
- )
|
|
|
-
|
|
|
- mc_draws, diag_mc = gaussian_parameter_draws(
|
|
|
- b,
|
|
|
- cov,
|
|
|
- M=MC_DRAWS_BANDS,
|
|
|
- seed=seed + 10,
|
|
|
- enforce_positive_slope=True,
|
|
|
- x50_bounds=mc_x50_bounds,
|
|
|
- )
|
|
|
-
|
|
|
- pars_np, diag_np = bootstrap_params_nonparametric(
|
|
|
- x_model,
|
|
|
- y,
|
|
|
- B=B,
|
|
|
- seed=seed + 1,
|
|
|
- l2=l2,
|
|
|
- b_start=b,
|
|
|
- )
|
|
|
-
|
|
|
- pars_str, diag_str = bootstrap_params_stratified(
|
|
|
- x_model,
|
|
|
- y,
|
|
|
- B=B,
|
|
|
- seed=seed + 2,
|
|
|
- l2=l2,
|
|
|
- b_start=b,
|
|
|
- )
|
|
|
-
|
|
|
- pars_pm, diag_pm = bootstrap_params_parametric(
|
|
|
- x_model,
|
|
|
- b,
|
|
|
- B=B,
|
|
|
- seed=seed + 3,
|
|
|
- l2=l2,
|
|
|
- min_ae=min_ae,
|
|
|
- )
|
|
|
-
|
|
|
- return {
|
|
|
- "name": name,
|
|
|
- "transform": transform,
|
|
|
- "l2": float(l2),
|
|
|
- "x_raw": x_raw,
|
|
|
- "x_model": x_model,
|
|
|
- "y": y,
|
|
|
- "x_grid_raw": x_grid_raw,
|
|
|
- "x_grid_model": x_grid_model,
|
|
|
- "b": b,
|
|
|
- "cov": cov,
|
|
|
- "gof": gof,
|
|
|
- "LCL": validated["LCL"],
|
|
|
- "UCL": validated["UCL"],
|
|
|
- "bands": OrderedDict([
|
|
|
- ("Wald", ci_band_wald(x_grid_model, b, cov, z=z)),
|
|
|
- ("MC", bootstrap_band_from_params(x_grid_model, mc_draws)),
|
|
|
- ("Nonparametric", bootstrap_band_from_params(x_grid_model, pars_np)),
|
|
|
- ("Stratified", bootstrap_band_from_params(x_grid_model, pars_str)),
|
|
|
- ("Parametric", bootstrap_band_from_params(x_grid_model, pars_pm)),
|
|
|
- ]),
|
|
|
- "pars_mc": mc_draws,
|
|
|
- "pars_nonparametric": pars_np,
|
|
|
- "pars_stratified": pars_str,
|
|
|
- "pars_parametric": pars_pm,
|
|
|
- # Historical aliases
|
|
|
- "pars_normal": mc_draws,
|
|
|
- "pars_nonparam": pars_np,
|
|
|
- "pars_nonparam_ordinary": pars_np,
|
|
|
- "pars_nonparam_stratified": pars_str,
|
|
|
- "bootstrap_diagnostics": OrderedDict([
|
|
|
- ("MC", diag_mc),
|
|
|
- ("Nonparametric", diag_np),
|
|
|
- ("Stratified", diag_str),
|
|
|
- ("Parametric", diag_pm),
|
|
|
- ]),
|
|
|
- }
|
|
|
-
|
|
|
-
|
|
|
-# ============================================================
|
|
|
-# 10) Model-band table with LL / UL
|
|
|
-# ============================================================
|
|
|
-
|
|
|
-def model_ci_table_4methods(
|
|
|
- P,
|
|
|
- keys=("FULL-RAW", "TRIM-RAW", "FULL-LOG", "TRIM-LOG"),
|
|
|
-):
|
|
|
- """Long pointwise model-band table."""
|
|
|
- import pandas as pd
|
|
|
-
|
|
|
- rows = []
|
|
|
-
|
|
|
- for key in keys:
|
|
|
- pk = P[key]
|
|
|
- xg_raw = np.asarray(pk["x_grid_raw"], float)
|
|
|
- xg_mod = np.asarray(pk["x_grid_model"], float)
|
|
|
- trans = pk.get("transform", "")
|
|
|
-
|
|
|
- for method in CI_METHODS:
|
|
|
- if method not in pk["bands"]:
|
|
|
- continue
|
|
|
-
|
|
|
- lo, md, hi = pk["bands"][method]
|
|
|
- lo = np.asarray(lo, float)
|
|
|
- md = np.asarray(md, float)
|
|
|
- hi = np.asarray(hi, float)
|
|
|
-
|
|
|
- for i in range(len(xg_raw)):
|
|
|
- rows.append({
|
|
|
- "Panel": key,
|
|
|
- "Method": method,
|
|
|
- "transform": trans,
|
|
|
- "x_grid_raw": float(xg_raw[i]),
|
|
|
- "x_grid_model": float(xg_mod[i]),
|
|
|
- "fit": float(md[i]),
|
|
|
- "LL": float(lo[i]),
|
|
|
- "UL": float(hi[i]),
|
|
|
- "width": float(hi[i] - lo[i]),
|
|
|
- })
|
|
|
-
|
|
|
- return pd.DataFrame(rows)
|
|
|
-
|
|
|
-
|
|
|
-# ============================================================
|
|
|
-# 11) Parameter, x50, and s50 CI summary table
|
|
|
-# ============================================================
|
|
|
-
|
|
|
-def param_ci_table_4methods(
|
|
|
- P,
|
|
|
- keys=("FULL-RAW", "TRIM-RAW", "FULL-LOG", "TRIM-LOG"),
|
|
|
- z=1.959963984540054,
|
|
|
- alpha=0.05,
|
|
|
- include_point_est=True,
|
|
|
- M_normal=MC_DRAWS_TABLE,
|
|
|
- seed_normal=123,
|
|
|
-):
|
|
|
- """
|
|
|
- Notebook-compatible CI summary using:
|
|
|
- Wald, MC, Nonparametric, Stratified, Parametric.
|
|
|
- """
|
|
|
- import pandas as pd
|
|
|
-
|
|
|
- def _quantile_ci(values):
|
|
|
- values = np.asarray(values, float)
|
|
|
- values = values[np.isfinite(values)]
|
|
|
-
|
|
|
- if len(values) == 0:
|
|
|
- return np.nan, np.nan, np.nan
|
|
|
-
|
|
|
- q = np.quantile(values, [alpha / 2, 0.5, 1.0 - alpha / 2])
|
|
|
- return float(q[0]), float(q[1]), float(q[2])
|
|
|
-
|
|
|
- def _to_raw_x50_scalar(value, trans):
|
|
|
- if not np.isfinite(value):
|
|
|
- return np.nan
|
|
|
- return float(np.exp(value)) if trans == "log" else float(value)
|
|
|
-
|
|
|
- def _width(lo, hi):
|
|
|
- if np.isfinite(lo) and np.isfinite(hi):
|
|
|
- return float(hi - lo)
|
|
|
- return np.nan
|
|
|
-
|
|
|
- rows = []
|
|
|
-
|
|
|
- for ik, key in enumerate(keys):
|
|
|
- pk = P[key]
|
|
|
-
|
|
|
- b = np.asarray(pk["b"], float).reshape(2)
|
|
|
- cov = np.asarray(pk["cov"], float).reshape(2, 2)
|
|
|
- trans = pk.get("transform", "")
|
|
|
- l2 = float(pk.get("l2", 0.0))
|
|
|
-
|
|
|
- b0_hat = float(b[0])
|
|
|
- b1_hat = float(b[1])
|
|
|
- x50_hat = float(x50(b))
|
|
|
- suv50_hat = _to_raw_x50_scalar(x50_hat, trans)
|
|
|
- s50_hat = float(s50_from_b(b, transform=trans))
|
|
|
-
|
|
|
- def add_row(method, b0_ci, b1_ci, x_ci, suv_ci, s_ci, n_used):
|
|
|
- row = {
|
|
|
- "Panel": key,
|
|
|
- "Method": method,
|
|
|
-
|
|
|
- "b0_hat": b0_hat,
|
|
|
- "b0_LCL": b0_ci[0],
|
|
|
- "b0_UCL": b0_ci[2],
|
|
|
- "b0_width": _width(b0_ci[0], b0_ci[2]),
|
|
|
-
|
|
|
- "b1_hat": b1_hat,
|
|
|
- "b1_LCL": b1_ci[0],
|
|
|
- "b1_UCL": b1_ci[2],
|
|
|
- "b1_width": _width(b1_ci[0], b1_ci[2]),
|
|
|
-
|
|
|
- "x50_hat": x50_hat,
|
|
|
- "x50_med": x_ci[1],
|
|
|
- "x50_LCL": x_ci[0],
|
|
|
- "x50_UCL": x_ci[2],
|
|
|
- "x50_width": _width(x_ci[0], x_ci[2]),
|
|
|
-
|
|
|
- "SUV50_hat": suv50_hat,
|
|
|
- "SUV50_med": suv_ci[1],
|
|
|
- "SUV50_LCL": suv_ci[0],
|
|
|
- "SUV50_UCL": suv_ci[2],
|
|
|
- "SUV50_width": _width(suv_ci[0], suv_ci[2]),
|
|
|
-
|
|
|
- "s50_hat": s50_hat,
|
|
|
- "s50_med": s_ci[1],
|
|
|
- "s50_LCL": s_ci[0],
|
|
|
- "s50_UCL": s_ci[2],
|
|
|
- "s50_width": _width(s_ci[0], s_ci[2]),
|
|
|
-
|
|
|
- "transform": trans,
|
|
|
- "l2": l2,
|
|
|
- "B_used": n_used,
|
|
|
- }
|
|
|
-
|
|
|
- if not include_point_est:
|
|
|
- for col in (
|
|
|
- "b0_hat",
|
|
|
- "b1_hat",
|
|
|
- "x50_hat",
|
|
|
- "x50_med",
|
|
|
- "SUV50_hat",
|
|
|
- "SUV50_med",
|
|
|
- "s50_hat",
|
|
|
- "s50_med",
|
|
|
- "transform",
|
|
|
- "l2",
|
|
|
- ):
|
|
|
- row.pop(col, None)
|
|
|
-
|
|
|
- rows.append(row)
|
|
|
-
|
|
|
- # Wald
|
|
|
- lcl, ucl = wald_ci(b, cov, z=z)
|
|
|
- x_l, x_u = x50_wald_ci(b, cov, z=z)
|
|
|
- suv_l = _to_raw_x50_scalar(x_l, trans)
|
|
|
- suv_u = _to_raw_x50_scalar(x_u, trans)
|
|
|
- s_l, s_u = s50_wald_ci_numeric(b, cov, transform=trans, z=z)
|
|
|
-
|
|
|
- add_row(
|
|
|
- "Wald",
|
|
|
- (float(lcl[0]), b0_hat, float(ucl[0])),
|
|
|
- (float(lcl[1]), b1_hat, float(ucl[1])),
|
|
|
- (float(x_l), x50_hat, float(x_u)),
|
|
|
- (float(suv_l), suv50_hat, float(suv_u)),
|
|
|
- (float(s_l), s50_hat, float(s_u)),
|
|
|
- np.nan,
|
|
|
- )
|
|
|
-
|
|
|
- # Draw-based methods
|
|
|
- mc_draws = pk.get("pars_mc", pk.get("pars_normal"))
|
|
|
-
|
|
|
- if mc_draws is None or len(mc_draws) < int(M_normal):
|
|
|
- mc_draws, _ = gaussian_parameter_draws(
|
|
|
- b,
|
|
|
- cov,
|
|
|
- M=M_normal,
|
|
|
- seed=seed_normal + 1000 * ik,
|
|
|
- enforce_positive_slope=True,
|
|
|
- )
|
|
|
-
|
|
|
- draw_sets = {
|
|
|
- "MC": mc_draws,
|
|
|
- "Nonparametric": pk.get(
|
|
|
- "pars_nonparametric",
|
|
|
- pk.get("pars_nonparam", np.empty((0, 2))),
|
|
|
- ),
|
|
|
- "Stratified": pk.get(
|
|
|
- "pars_stratified",
|
|
|
- pk.get("pars_nonparam_stratified", np.empty((0, 2))),
|
|
|
- ),
|
|
|
- "Parametric": pk.get(
|
|
|
- "pars_parametric",
|
|
|
- np.empty((0, 2)),
|
|
|
- ),
|
|
|
- }
|
|
|
-
|
|
|
- for method in ("MC", "Nonparametric", "Stratified", "Parametric"):
|
|
|
- pars = np.asarray(draw_sets[method], float)
|
|
|
-
|
|
|
- if pars.ndim != 2 or len(pars) == 0:
|
|
|
- nan3 = (np.nan, np.nan, np.nan)
|
|
|
- add_row(method, nan3, nan3, nan3, nan3, nan3, 0)
|
|
|
- continue
|
|
|
-
|
|
|
- b0_ci = _quantile_ci(pars[:, 0])
|
|
|
- b1_ci = _quantile_ci(pars[:, 1])
|
|
|
-
|
|
|
- xvals = np.asarray([x50(bb) for bb in pars], float)
|
|
|
- suvvals = np.asarray(
|
|
|
- [_to_raw_x50_scalar(v, trans) for v in xvals],
|
|
|
- float,
|
|
|
- )
|
|
|
- svals = np.asarray(
|
|
|
- [s50_from_b(bb, transform=trans) for bb in pars],
|
|
|
- float,
|
|
|
- )
|
|
|
-
|
|
|
- add_row(
|
|
|
- method,
|
|
|
- b0_ci,
|
|
|
- b1_ci,
|
|
|
- _quantile_ci(xvals),
|
|
|
- _quantile_ci(suvvals),
|
|
|
- _quantile_ci(svals),
|
|
|
- int(len(pars)),
|
|
|
- )
|
|
|
-
|
|
|
- return pd.DataFrame(rows)
|
|
|
-
|
|
|
-
|
|
|
-def combined_x50_model_bounds_table(
|
|
|
- P,
|
|
|
- keys=("FULL-RAW", "TRIM-RAW", "FULL-LOG", "TRIM-LOG"),
|
|
|
- z=1.959963984540054,
|
|
|
- alpha=0.05,
|
|
|
- M_normal=MC_DRAWS_TABLE,
|
|
|
- seed_normal=123,
|
|
|
-):
|
|
|
- """Combine characteristic intervals with global curve-band summaries."""
|
|
|
- import pandas as pd
|
|
|
-
|
|
|
- param_df = param_ci_table_4methods(
|
|
|
- P,
|
|
|
- keys=keys,
|
|
|
- z=z,
|
|
|
- alpha=alpha,
|
|
|
- include_point_est=True,
|
|
|
- M_normal=M_normal,
|
|
|
- seed_normal=seed_normal,
|
|
|
- ).copy()
|
|
|
-
|
|
|
- model_df = model_ci_table_4methods(P, keys=keys).copy()
|
|
|
-
|
|
|
- global_df = (
|
|
|
- model_df
|
|
|
- .groupby(["Panel", "Method"], as_index=False)
|
|
|
- .agg(
|
|
|
- global_LL=("LL", "min"),
|
|
|
- global_UL=("UL", "max"),
|
|
|
- fit_min=("fit", "min"),
|
|
|
- fit_max=("fit", "max"),
|
|
|
- mean_width=("width", "mean"),
|
|
|
- max_width=("width", "max"),
|
|
|
- )
|
|
|
- )
|
|
|
-
|
|
|
- global_df["global_width"] = global_df["global_UL"] - global_df["global_LL"]
|
|
|
-
|
|
|
- out = pd.merge(
|
|
|
- param_df,
|
|
|
- global_df,
|
|
|
- on=["Panel", "Method"],
|
|
|
- how="left",
|
|
|
- )
|
|
|
-
|
|
|
- preferred = [
|
|
|
- "Panel", "Method", "transform",
|
|
|
- "x50_hat", "x50_LCL", "x50_UCL", "x50_width",
|
|
|
- "SUV50_hat", "SUV50_LCL", "SUV50_UCL", "SUV50_width",
|
|
|
- "s50_hat", "s50_LCL", "s50_UCL", "s50_width",
|
|
|
- "global_LL", "global_UL", "global_width",
|
|
|
- "fit_min", "fit_max", "mean_width", "max_width", "B_used",
|
|
|
- ]
|
|
|
-
|
|
|
- cols = [c for c in preferred if c in out.columns] + [
|
|
|
- c for c in out.columns if c not in preferred
|
|
|
- ]
|
|
|
-
|
|
|
- return out[cols]
|
|
|
-
|
|
|
-
|
|
|
-def bootstrap_diagnostics_table(P):
|
|
|
- """Return success information for MC and bootstrap methods."""
|
|
|
- import pandas as pd
|
|
|
-
|
|
|
- rows = []
|
|
|
- for panel, pk in P.items():
|
|
|
- for method, diag in pk.get("bootstrap_diagnostics", {}).items():
|
|
|
- rows.append({"Panel": panel, "Method": method, **diag})
|
|
|
-
|
|
|
- return pd.DataFrame(rows)
|
|
|
-
|
|
|
-
|
|
|
-# ============================================================
|
|
|
-# 12) CI figure
|
|
|
-# ============================================================
|
|
|
-def plot_ci_four_panels(P):
|
|
|
- import numpy as np
|
|
|
- import matplotlib.pyplot as plt
|
|
|
- import matplotlib.lines as mlines
|
|
|
-
|
|
|
- plt.style.use("default")
|
|
|
-
|
|
|
- COL_NC = "#4c9ed9"
|
|
|
- COL_AE = "#f28e2b"
|
|
|
- COL_FIT = "#000000"
|
|
|
-
|
|
|
- # Methods displayed in the main figure
|
|
|
- FIGURE_METHODS = [
|
|
|
- "Wald",
|
|
|
- "MC",
|
|
|
- "Nonparametric",
|
|
|
- "Parametric",
|
|
|
- ]
|
|
|
-
|
|
|
- styles = OrderedDict([
|
|
|
- ("Wald", ("#2ca02c", "-.", 0.12)),
|
|
|
- ("MC", ("#d62728", "--", 0.14)),
|
|
|
- ("Nonparametric", ("#1f77b4", ":", 0.16)),
|
|
|
- ("Parametric", ("#17becf", (0, (6, 2)), 0.14)),
|
|
|
- ])
|
|
|
-
|
|
|
- panel_order = [
|
|
|
- "FULL-LOG",
|
|
|
- "FULL-RAW",
|
|
|
- "TRIM-LOG",
|
|
|
- "TRIM-RAW",
|
|
|
- ]
|
|
|
- panel_letters = ["A", "B", "C", "D"]
|
|
|
-
|
|
|
- fig, axs = plt.subplots(
|
|
|
- 2,
|
|
|
- 2,
|
|
|
- figsize=(15, 10),
|
|
|
- dpi=180,
|
|
|
- sharex="col",
|
|
|
- sharey=True,
|
|
|
- )
|
|
|
-
|
|
|
- for ax, key, letter in zip(
|
|
|
- axs.flat,
|
|
|
- panel_order,
|
|
|
- panel_letters,
|
|
|
- ):
|
|
|
- pk = P[key]
|
|
|
-
|
|
|
- x_raw = np.asarray(pk["x_raw"], float)
|
|
|
- y = np.asarray(pk["y"], int)
|
|
|
- xg_raw = np.asarray(pk["x_grid_raw"], float)
|
|
|
- xg_model = np.asarray(pk["x_grid_model"], float)
|
|
|
- transform = pk["transform"]
|
|
|
-
|
|
|
- if transform == "raw":
|
|
|
- xs = x_raw
|
|
|
- xg = xg_raw
|
|
|
- else:
|
|
|
- xs = np.log(x_raw)
|
|
|
- xg = xg_model
|
|
|
-
|
|
|
- rng = np.random.default_rng(123 + ord(letter))
|
|
|
- jit = (rng.random(len(y)) - 0.5) * 0.04
|
|
|
-
|
|
|
- ax.scatter(
|
|
|
- xs[y == 0],
|
|
|
- (y + jit)[y == 0],
|
|
|
- s=22,
|
|
|
- alpha=0.45,
|
|
|
- color=COL_NC,
|
|
|
- edgecolors="none",
|
|
|
- zorder=5,
|
|
|
- )
|
|
|
-
|
|
|
- ax.scatter(
|
|
|
- xs[y == 1],
|
|
|
- (y + jit)[y == 1],
|
|
|
- s=24,
|
|
|
- alpha=0.85,
|
|
|
- color=COL_AE,
|
|
|
- edgecolors="none",
|
|
|
- zorder=5,
|
|
|
- )
|
|
|
-
|
|
|
- for method in FIGURE_METHODS:
|
|
|
- if method not in pk["bands"]:
|
|
|
- continue
|
|
|
-
|
|
|
- lo, _, hi = pk["bands"][method]
|
|
|
- color, linestyle, fill_alpha = styles[method]
|
|
|
-
|
|
|
- ax.fill_between(
|
|
|
- xg,
|
|
|
- lo,
|
|
|
- hi,
|
|
|
- color=color,
|
|
|
- alpha=fill_alpha,
|
|
|
- zorder=1,
|
|
|
- )
|
|
|
-
|
|
|
- ax.plot(
|
|
|
- xg,
|
|
|
- lo,
|
|
|
- color=color,
|
|
|
- linestyle=linestyle,
|
|
|
- lw=1.6,
|
|
|
- zorder=2,
|
|
|
- )
|
|
|
-
|
|
|
- ax.plot(
|
|
|
- xg,
|
|
|
- hi,
|
|
|
- color=color,
|
|
|
- linestyle=linestyle,
|
|
|
- lw=1.6,
|
|
|
- zorder=2,
|
|
|
- )
|
|
|
-
|
|
|
- fit_curve = model_p(
|
|
|
- xg_model,
|
|
|
- pk["b"],
|
|
|
- )
|
|
|
-
|
|
|
- ax.plot(
|
|
|
- xg,
|
|
|
- fit_curve,
|
|
|
- color=COL_FIT,
|
|
|
- lw=2.5,
|
|
|
- zorder=6,
|
|
|
- )
|
|
|
-
|
|
|
- ax.text(
|
|
|
- 0.03,
|
|
|
- 0.95,
|
|
|
- letter,
|
|
|
- transform=ax.transAxes,
|
|
|
- fontsize=15,
|
|
|
- ha="left",
|
|
|
- va="top",
|
|
|
- )
|
|
|
-
|
|
|
- ax.set_ylim(-0.05, 1.05)
|
|
|
- ax.grid(False)
|
|
|
-
|
|
|
- ax.tick_params(
|
|
|
- axis="both",
|
|
|
- which="major",
|
|
|
- labelsize=11,
|
|
|
- length=4,
|
|
|
- width=0.8,
|
|
|
- direction="out",
|
|
|
- )
|
|
|
-
|
|
|
- axs[0, 0].set_ylabel(
|
|
|
- r"$\mathrm{P(AE \mid X = x)}$",
|
|
|
- fontsize=13,
|
|
|
- )
|
|
|
- axs[1, 0].set_ylabel(
|
|
|
- r"$\mathrm{P(AE \mid X = x)}$",
|
|
|
- fontsize=13,
|
|
|
- )
|
|
|
-
|
|
|
- axs[1, 0].set_xlabel(
|
|
|
- r"$\log(\mathrm{X})$",
|
|
|
- fontsize=13,
|
|
|
- )
|
|
|
- axs[1, 1].set_xlabel(
|
|
|
- r"$\mathrm{X}$",
|
|
|
- fontsize=13,
|
|
|
- )
|
|
|
-
|
|
|
- for ax in axs[0, :]:
|
|
|
- ax.tick_params(
|
|
|
- axis="x",
|
|
|
- which="both",
|
|
|
- labelbottom=False,
|
|
|
- )
|
|
|
-
|
|
|
- for ax in axs[:, 1]:
|
|
|
- ax.tick_params(
|
|
|
- axis="y",
|
|
|
- which="both",
|
|
|
- labelleft=False,
|
|
|
- )
|
|
|
-
|
|
|
- labels = {
|
|
|
- "Wald": "CI: Wald 95%",
|
|
|
- "MC": "CI: MC propagation 95%",
|
|
|
- "Nonparametric": "CI: nonparametric bootstrap 95%",
|
|
|
- "Parametric": "CI: parametric bootstrap 95%",
|
|
|
- }
|
|
|
-
|
|
|
- handles = [
|
|
|
- mlines.Line2D(
|
|
|
- [],
|
|
|
- [],
|
|
|
- marker="o",
|
|
|
- color=COL_NC,
|
|
|
- linestyle="None",
|
|
|
- markersize=8,
|
|
|
- label="data: NC",
|
|
|
- ),
|
|
|
- mlines.Line2D(
|
|
|
- [],
|
|
|
- [],
|
|
|
- marker="o",
|
|
|
- color=COL_AE,
|
|
|
- linestyle="None",
|
|
|
- markersize=8,
|
|
|
- label="data: AE",
|
|
|
- ),
|
|
|
- mlines.Line2D(
|
|
|
- [],
|
|
|
- [],
|
|
|
- color=COL_FIT,
|
|
|
- lw=2.5,
|
|
|
- label="fit",
|
|
|
- ),
|
|
|
- ]
|
|
|
-
|
|
|
- for method in FIGURE_METHODS:
|
|
|
- color, linestyle, _ = styles[method]
|
|
|
-
|
|
|
- handles.append(
|
|
|
- mlines.Line2D(
|
|
|
- [],
|
|
|
- [],
|
|
|
- color=color,
|
|
|
- lw=2,
|
|
|
- linestyle=linestyle,
|
|
|
- label=labels[method],
|
|
|
- )
|
|
|
- )
|
|
|
-
|
|
|
- leg = axs[1, 1].legend(
|
|
|
- handles=handles,
|
|
|
- loc="lower right",
|
|
|
- bbox_to_anchor=(0.98, 0.04),
|
|
|
- fontsize=8.5,
|
|
|
- frameon=True,
|
|
|
- )
|
|
|
-
|
|
|
- leg.get_frame().set_facecolor("white")
|
|
|
- leg.get_frame().set_edgecolor("#bdbdbd")
|
|
|
- leg.get_frame().set_linewidth(0.8)
|
|
|
-
|
|
|
- fig.subplots_adjust(
|
|
|
- left=0.08,
|
|
|
- right=0.98,
|
|
|
- bottom=0.08,
|
|
|
- top=0.98,
|
|
|
- wspace=0.06,
|
|
|
- hspace=0.06,
|
|
|
- )
|
|
|
-
|
|
|
- return fig, axs
|
|
|
-# ============================================================
|
|
|
-# ELASTICITY ANALYSIS (x50 and s50)
|
|
|
-# ============================================================
|
|
|
-
|
|
|
-import numpy as np
|
|
|
-import matplotlib.pyplot as plt
|
|
|
-
|
|
|
-
|
|
|
-# ------------------------------------------------------------
|
|
|
-# Core elasticity computation
|
|
|
-# ------------------------------------------------------------
|
|
|
-def elasticity_x50_s50(theta, mode="raw"):
|
|
|
- """
|
|
|
- Elasticity for x50 and s50 with respect to theta0 and theta1.
|
|
|
-
|
|
|
- mode
|
|
|
- ----
|
|
|
- 'raw' : eta = theta0 + theta1*x
|
|
|
- 'log' : eta = theta0 + theta1*log(x)
|
|
|
-
|
|
|
- Returns
|
|
|
- -------
|
|
|
- dict with:
|
|
|
- theta0, theta1,
|
|
|
- x50, s50,
|
|
|
- E_x50_theta0, E_x50_theta1,
|
|
|
- E_s50_theta0, E_s50_theta1
|
|
|
- """
|
|
|
- theta0, theta1 = map(float, np.asarray(theta).reshape(2))
|
|
|
-
|
|
|
- if np.abs(theta1) < 1e-12:
|
|
|
- return dict(
|
|
|
- theta0=theta0,
|
|
|
- theta1=theta1,
|
|
|
- x50=np.nan,
|
|
|
- s50=np.nan,
|
|
|
- E_x50_theta0=np.nan,
|
|
|
- E_x50_theta1=np.nan,
|
|
|
- E_s50_theta0=np.nan,
|
|
|
- E_s50_theta1=np.nan,
|
|
|
- )
|
|
|
-
|
|
|
- # =========================
|
|
|
- # RAW MODEL
|
|
|
- # =========================
|
|
|
- if mode == "raw":
|
|
|
- x50 = -theta0 / theta1
|
|
|
- s50 = theta1 / 4.0
|
|
|
-
|
|
|
- E_x50_theta0 = 1.0
|
|
|
- E_x50_theta1 = -1.0
|
|
|
-
|
|
|
- E_s50_theta0 = 0.0
|
|
|
- E_s50_theta1 = 1.0
|
|
|
-
|
|
|
- # =========================
|
|
|
- # LOG MODEL
|
|
|
- # =========================
|
|
|
- elif mode == "log":
|
|
|
- x50 = float(np.exp(-theta0 / theta1))
|
|
|
- s50 = theta1 / (4.0 * x50)
|
|
|
-
|
|
|
- E_x50_theta0 = -theta0 / theta1
|
|
|
- E_x50_theta1 = theta0 / theta1
|
|
|
-
|
|
|
- E_s50_theta0 = -E_x50_theta0
|
|
|
- E_s50_theta1 = 1.0 - E_x50_theta1
|
|
|
-
|
|
|
- else:
|
|
|
- raise ValueError("mode must be 'raw' or 'log'")
|
|
|
-
|
|
|
- return dict(
|
|
|
- theta0=theta0,
|
|
|
- theta1=theta1,
|
|
|
- x50=x50,
|
|
|
- s50=s50,
|
|
|
- E_x50_theta0=E_x50_theta0,
|
|
|
- E_x50_theta1=E_x50_theta1,
|
|
|
- E_s50_theta0=E_s50_theta0,
|
|
|
- E_s50_theta1=E_s50_theta1,
|
|
|
- )
|
|
|
-
|
|
|
-
|
|
|
-# ------------------------------------------------------------
|
|
|
-# Table for 4 panels
|
|
|
-# ------------------------------------------------------------
|
|
|
-def elasticity_table_4panels(P, keys=None, make_plots=True):
|
|
|
- import pandas as pd
|
|
|
- import numpy as np
|
|
|
-
|
|
|
- if keys is None:
|
|
|
- keys = list(P.keys())
|
|
|
-
|
|
|
- rows = []
|
|
|
-
|
|
|
- for key in keys:
|
|
|
- pk = P[key]
|
|
|
-
|
|
|
- if "b" not in pk:
|
|
|
- print(f"[skip] {key}: no fitted parameter key 'b'")
|
|
|
- continue
|
|
|
-
|
|
|
- theta = np.asarray(pk["b"], float).reshape(2)
|
|
|
- transform = pk.get("transform", "raw")
|
|
|
-
|
|
|
- res = elasticity_x50_s50(theta, mode=transform)
|
|
|
-
|
|
|
- rows.append({
|
|
|
- "Panel": key,
|
|
|
- "transform": transform,
|
|
|
- **res
|
|
|
- })
|
|
|
-
|
|
|
- df = pd.DataFrame(rows)
|
|
|
-
|
|
|
- if make_plots and len(df) > 0:
|
|
|
- plot_x50_values(df)
|
|
|
- plot_s50_values(df)
|
|
|
- plot_x50_theta1_elasticity(df)
|
|
|
- plot_s50_theta1_elasticity(df)
|
|
|
-
|
|
|
- return df
|
|
|
-
|
|
|
-
|
|
|
-# ------------------------------------------------------------
|
|
|
-# Plots
|
|
|
-# ------------------------------------------------------------
|
|
|
-def plot_x50_values(df):
|
|
|
- fig, ax = plt.subplots(figsize=(7, 4))
|
|
|
- ax.bar(df["Panel"], df["x50"])
|
|
|
- ax.set_ylabel("x50")
|
|
|
- ax.set_title("x50 across panels")
|
|
|
- plt.xticks(rotation=30)
|
|
|
- plt.tight_layout()
|
|
|
- plt.show()
|
|
|
-
|
|
|
-
|
|
|
-def plot_s50_values(df):
|
|
|
- fig, ax = plt.subplots(figsize=(7, 4))
|
|
|
- ax.bar(df["Panel"], df["s50"])
|
|
|
- ax.set_ylabel("s50")
|
|
|
- ax.set_title("s50 across panels")
|
|
|
- plt.xticks(rotation=30)
|
|
|
- plt.tight_layout()
|
|
|
- plt.show()
|
|
|
-
|
|
|
-
|
|
|
-def plot_x50_theta1_elasticity(df):
|
|
|
- fig, ax = plt.subplots(figsize=(7, 4))
|
|
|
- ax.bar(df["Panel"], df["E_x50_theta1"])
|
|
|
- ax.set_ylabel("Elasticity")
|
|
|
- ax.set_title("Elasticity of x50 w.r.t. theta1")
|
|
|
- plt.xticks(rotation=30)
|
|
|
- plt.tight_layout()
|
|
|
- plt.show()
|
|
|
-
|
|
|
-
|
|
|
-def plot_s50_theta1_elasticity(df):
|
|
|
- fig, ax = plt.subplots(figsize=(7, 4))
|
|
|
- ax.bar(df["Panel"], df["E_s50_theta1"])
|
|
|
- ax.set_ylabel("Elasticity")
|
|
|
- ax.set_title("Elasticity of s50 w.r.t. theta1")
|
|
|
- plt.xticks(rotation=30)
|
|
|
- plt.tight_layout()
|
|
|
- plt.show()
|
|
|
-# ------------------------------------------------------------
|
|
|
-# logistic helpers for noise analysis
|
|
|
-# ------------------------------------------------------------
|
|
|
-
|
|
|
-# ============================================================
|
|
|
-# NOISE ANALYSIS FOR LOGISTIC MODEL
|
|
|
-# Correct x50 for RAW and LOG models
|
|
|
-# ============================================================
|
|
|
-
|
|
|
-import os
|
|
|
-import numpy as np
|
|
|
-import matplotlib.pyplot as plt
|
|
|
-import matplotlib.lines as mlines
|
|
|
-
|
|
|
-
|
|
|
-# ------------------------------------------------------------
|
|
|
-# logistic fit / prediction / x50
|
|
|
-# CONSISTENT WITH MAIN LOGISTIC ANALYSIS
|
|
|
-# ------------------------------------------------------------
|
|
|
-
|
|
|
-def fit_logistic_x(x_raw, y, transform="raw", l2=1e-8):
|
|
|
- x_raw = np.clip(np.asarray(x_raw, float).ravel(), 1e-12, None)
|
|
|
- y = np.asarray(y, int).ravel()
|
|
|
-
|
|
|
- if transform == "raw":
|
|
|
- x_model = x_raw
|
|
|
- elif transform == "log":
|
|
|
- x_model = np.log(x_raw)
|
|
|
- else:
|
|
|
- raise ValueError("transform must be 'raw' or 'log'")
|
|
|
-
|
|
|
- return fit_newton(x_model, y, l2=l2)
|
|
|
-
|
|
|
-
|
|
|
-def predict_curve_x(b, x_grid_raw, transform="raw"):
|
|
|
- x_grid_raw = np.clip(np.asarray(x_grid_raw, float), 1e-12, None)
|
|
|
-
|
|
|
- if transform == "raw":
|
|
|
- x_model = x_grid_raw
|
|
|
- elif transform == "log":
|
|
|
- x_model = np.log(x_grid_raw)
|
|
|
- else:
|
|
|
- raise ValueError("transform must be 'raw' or 'log'")
|
|
|
-
|
|
|
- return model_p(x_model, b)
|
|
|
-
|
|
|
-
|
|
|
-def x50_from_b(b, transform="raw"):
|
|
|
- b = np.asarray(b, float).reshape(2)
|
|
|
- x50_model = x50(b)
|
|
|
-
|
|
|
- if not np.isfinite(x50_model):
|
|
|
- return np.nan
|
|
|
-
|
|
|
- if transform == "raw":
|
|
|
- return float(x50_model)
|
|
|
- elif transform == "log":
|
|
|
- return float(np.exp(x50_model))
|
|
|
- else:
|
|
|
- raise ValueError("transform must be 'raw' or 'log'")
|
|
|
-
|
|
|
-
|
|
|
-def check_noise_x50(pack):
|
|
|
- b = np.asarray(pack["b_clean"], float).reshape(2)
|
|
|
- transform = pack["transform"]
|
|
|
- x50_raw = pack["x50"]
|
|
|
-
|
|
|
- x50_model = x50_raw if transform == "raw" else np.log(x50_raw)
|
|
|
- p50 = model_p(np.array([x50_model]), b)[0]
|
|
|
-
|
|
|
- print(
|
|
|
- "transform =", transform,
|
|
|
- "| x50_raw =", x50_raw,
|
|
|
- "| P(x50) =", p50
|
|
|
- )
|
|
|
-
|
|
|
-
|
|
|
-# ------------------------------------------------------------
|
|
|
-# noise helpers
|
|
|
-# ------------------------------------------------------------
|
|
|
-
|
|
|
-def add_noise_mult(x, sigma, rng):
|
|
|
- x = np.asarray(x, float)
|
|
|
- return np.clip(x * np.exp(rng.normal(0, sigma, size=x.shape)), 1e-12, None)
|
|
|
-
|
|
|
-
|
|
|
-def add_noise_add(x, sigma, rng):
|
|
|
- x = np.asarray(x, float)
|
|
|
- return np.clip(x + rng.normal(0, sigma, size=x.shape), 1e-12, None)
|
|
|
-
|
|
|
-
|
|
|
-def band_quantiles(curves):
|
|
|
- C = np.vstack(curves)
|
|
|
- return np.quantile(C, [0.025, 0.5, 0.975], axis=0)
|
|
|
-
|
|
|
-
|
|
|
-# ------------------------------------------------------------
|
|
|
-# build noise bands
|
|
|
-# ------------------------------------------------------------
|
|
|
-
|
|
|
-def noise_logistic_bands(
|
|
|
- x_raw,
|
|
|
- y,
|
|
|
- transform="raw",
|
|
|
- sigma_mult=0.129,
|
|
|
- sigma_add=0.144,
|
|
|
- x_max=5,
|
|
|
- grid_n=1000,
|
|
|
- n_refit=200,
|
|
|
- n_tta=3000,
|
|
|
- seed=1234,
|
|
|
- l2=1e-8,
|
|
|
-):
|
|
|
- rng = np.random.default_rng(seed)
|
|
|
-
|
|
|
- x_raw = np.clip(np.asarray(x_raw, float).ravel(), 1e-12, None)
|
|
|
- y = np.asarray(y).astype(int).ravel()
|
|
|
-
|
|
|
- xc = np.linspace(1e-12, x_max, grid_n)
|
|
|
-
|
|
|
- b_clean = fit_logistic_x(x_raw, y, transform=transform, l2=l2)
|
|
|
- clean = predict_curve_x(b_clean, xc, transform=transform)
|
|
|
- x50_val = x50_from_b(b_clean, transform=transform)
|
|
|
-
|
|
|
- curves = []
|
|
|
- for _ in range(n_refit):
|
|
|
- xn = add_noise_mult(x_raw, sigma_mult, rng)
|
|
|
- bn = fit_logistic_x(xn, y, transform=transform, l2=l2)
|
|
|
- curves.append(predict_curve_x(bn, xc, transform=transform))
|
|
|
- mult_refit = band_quantiles(curves)
|
|
|
-
|
|
|
- curves = []
|
|
|
- for _ in range(n_tta):
|
|
|
- xn = add_noise_mult(xc, sigma_mult, rng)
|
|
|
- curves.append(predict_curve_x(b_clean, xn, transform=transform))
|
|
|
- mult_tta = band_quantiles(curves)
|
|
|
-
|
|
|
- curves = []
|
|
|
- for _ in range(n_refit):
|
|
|
- xn = add_noise_add(x_raw, sigma_add, rng)
|
|
|
- bn = fit_logistic_x(xn, y, transform=transform, l2=l2)
|
|
|
- curves.append(predict_curve_x(bn, xc, transform=transform))
|
|
|
- add_refit = band_quantiles(curves)
|
|
|
-
|
|
|
- curves = []
|
|
|
- for _ in range(n_tta):
|
|
|
- xn = add_noise_add(xc, sigma_add, rng)
|
|
|
- curves.append(predict_curve_x(b_clean, xn, transform=transform))
|
|
|
- add_tta = band_quantiles(curves)
|
|
|
-
|
|
|
- return {
|
|
|
- "xc": xc,
|
|
|
- "clean": clean,
|
|
|
- "x50": x50_val,
|
|
|
- "b_clean": b_clean,
|
|
|
- "transform": transform,
|
|
|
- "l2": float(l2),
|
|
|
- "mult_refit": mult_refit,
|
|
|
- "mult_tta": mult_tta,
|
|
|
- "add_refit": add_refit,
|
|
|
- "add_tta": add_tta,
|
|
|
- }
|
|
|
-
|
|
|
- from scipy.ndimage import gaussian_filter1d
|
|
|
-
|
|
|
- lo = np.quantile(curves, 0.025, axis=0)
|
|
|
- md = np.quantile(curves, 0.500, axis=0)
|
|
|
- hi = np.quantile(curves, 0.975, axis=0)
|
|
|
-
|
|
|
-# smooth boundaries
|
|
|
- lo = gaussian_filter1d(lo, sigma=8)
|
|
|
- md = gaussian_filter1d(md, sigma=8)
|
|
|
- hi = gaussian_filter1d(hi, sigma=8)
|
|
|
-
|
|
|
- return lo, md, hi
|
|
|
-
|
|
|
-# ------------------------------------------------------------
|
|
|
-# legend
|
|
|
-# ------------------------------------------------------------
|
|
|
-
|
|
|
-def noise_legend_handles():
|
|
|
- return [
|
|
|
- mlines.Line2D([], [], marker="o", color="#2b8cbe",
|
|
|
- linestyle="None", markersize=7, label="NC data"),
|
|
|
- mlines.Line2D([], [], marker="o", color="#d7301f",
|
|
|
- linestyle="None", markersize=7, label="AE data"),
|
|
|
- mlines.Line2D([], [], color="black", lw=2.2, label="Initial fit"),
|
|
|
- mlines.Line2D([], [], color="#1f78b4", lw=6, alpha=0.24,
|
|
|
- label="refit band, multiplicative noise"),
|
|
|
- mlines.Line2D([], [], color="#1f78b4", lw=6, alpha=0.10,
|
|
|
- label="fixed-model band, multiplicative noise"),
|
|
|
- mlines.Line2D([], [], color="#e66101", lw=6, alpha=0.24,
|
|
|
- label="refit band, additive noise"),
|
|
|
- mlines.Line2D([], [], color="#e66101", lw=6, alpha=0.10,
|
|
|
- label="fixed-model band, additive noise"),
|
|
|
- mlines.Line2D([], [], color="#666666", ls="--", lw=1.2,
|
|
|
- label=r"$x_{50}$"),
|
|
|
- ]
|
|
|
-
|
|
|
-
|
|
|
-# ------------------------------------------------------------
|
|
|
-# plot one panel
|
|
|
-# ------------------------------------------------------------
|
|
|
-
|
|
|
-def plot_noise_panel(ax, pack, kind="mult", label="A", X=None, y=None):
|
|
|
- COL_MULT = "#1f78b4"
|
|
|
- COL_ADD = "#e66101"
|
|
|
- COL_NC = "#2b8cbe"
|
|
|
- COL_AE = "#d7301f"
|
|
|
-
|
|
|
- xc = pack["xc"]
|
|
|
- clean = pack["clean"]
|
|
|
- x50_val = pack["x50"]
|
|
|
-
|
|
|
- if kind == "mult":
|
|
|
- refit = pack["mult_refit"]
|
|
|
- tta = pack["mult_tta"]
|
|
|
- color = COL_MULT
|
|
|
- elif kind == "add":
|
|
|
- refit = pack["add_refit"]
|
|
|
- tta = pack["add_tta"]
|
|
|
- color = COL_ADD
|
|
|
- else:
|
|
|
- raise ValueError("kind must be 'mult' or 'add'")
|
|
|
-
|
|
|
- lo_r, _, hi_r = refit
|
|
|
- lo_t, _, hi_t = tta
|
|
|
-
|
|
|
- ax.fill_between(xc, lo_t, hi_t, color=color, alpha=0.10, zorder=1)
|
|
|
- ax.fill_between(xc, lo_r, hi_r, color=color, alpha=0.24, zorder=2)
|
|
|
-
|
|
|
- ax.plot(xc, lo_r, color=color, lw=1.0, alpha=0.65, zorder=3)
|
|
|
- ax.plot(xc, hi_r, color=color, lw=1.0, alpha=0.65, zorder=3)
|
|
|
-
|
|
|
- ax.plot(xc, clean, color="black", lw=2.2, zorder=5)
|
|
|
- ax.axvline(x50_val, color="#666666", ls="--", lw=1.2, alpha=0.9, zorder=4)
|
|
|
-
|
|
|
- lo_r_x = np.interp(x50_val, xc, lo_r)
|
|
|
- hi_r_x = np.interp(x50_val, xc, hi_r)
|
|
|
- lo_t_x = np.interp(x50_val, xc, lo_t)
|
|
|
- hi_t_x = np.interp(x50_val, xc, hi_t)
|
|
|
-
|
|
|
- if X is not None and y is not None:
|
|
|
- X = np.asarray(X).ravel()
|
|
|
- y = np.asarray(y).astype(int).ravel()
|
|
|
-
|
|
|
- ax.scatter(
|
|
|
- X[y == 0], np.zeros(np.sum(y == 0)),
|
|
|
- color=COL_NC, s=24, alpha=0.75,
|
|
|
- edgecolors="none", zorder=7
|
|
|
- )
|
|
|
- ax.scatter(
|
|
|
- X[y == 1], np.ones(np.sum(y == 1)),
|
|
|
- color=COL_AE, s=24, alpha=0.75,
|
|
|
- edgecolors="none", zorder=7
|
|
|
- )
|
|
|
-
|
|
|
- ax.text(0.03, 0.97, label, transform=ax.transAxes,
|
|
|
- ha="left", va="top", fontsize=15)
|
|
|
-
|
|
|
- variant_txt = "FULL" if label in ["A", "B"] else "TRIM"
|
|
|
- d_ref = hi_r_x - lo_r_x
|
|
|
- d_tta = hi_t_x - lo_t_x
|
|
|
-
|
|
|
- info_txt = (
|
|
|
- f"{variant_txt}\n"
|
|
|
- f"$x_{{50}}$={x50_val:.2f}\n"
|
|
|
- f"$\\Delta r$={d_ref:.2f} $\\Delta t$={d_tta:.2f}"
|
|
|
- )
|
|
|
-
|
|
|
- ax.text(
|
|
|
- 0.02, 0.14,
|
|
|
- info_txt,
|
|
|
- transform=ax.transAxes,
|
|
|
- fontsize=10,
|
|
|
- color="#222",
|
|
|
- ha="left", va="bottom",
|
|
|
- bbox=dict(facecolor="white", edgecolor=color,
|
|
|
- boxstyle="square,pad=0.25", alpha=0.9)
|
|
|
- )
|
|
|
-
|
|
|
- ax.set_xlim(0, xc.max())
|
|
|
- ax.set_ylim(-0.05, 1.05)
|
|
|
- ax.grid(alpha=0.25)
|
|
|
- ax.tick_params(axis="both", labelsize=10)
|
|
|
-
|
|
|
-
|
|
|
-# ------------------------------------------------------------
|
|
|
-# full noise figure
|
|
|
-# ------------------------------------------------------------
|
|
|
-
|
|
|
-def plot_noise_figure(
|
|
|
- pack_full,
|
|
|
- pack_trim,
|
|
|
- X_full,
|
|
|
- y_full,
|
|
|
- X_trim,
|
|
|
- y_trim,
|
|
|
- figsize=(12, 9),
|
|
|
- dpi=300,
|
|
|
-):
|
|
|
- fig, axes = plt.subplots(
|
|
|
- 2, 2,
|
|
|
- figsize=figsize,
|
|
|
- dpi=dpi,
|
|
|
- sharex=True,
|
|
|
- sharey=True
|
|
|
- )
|
|
|
-
|
|
|
- axes = axes.ravel()
|
|
|
-
|
|
|
- plot_noise_panel(axes[0], pack_full, kind="mult", label="A", X=X_full, y=y_full)
|
|
|
- plot_noise_panel(axes[1], pack_full, kind="add", label="B", X=X_full, y=y_full)
|
|
|
- plot_noise_panel(axes[2], pack_trim, kind="mult", label="C", X=X_trim, y=y_trim)
|
|
|
- plot_noise_panel(axes[3], pack_trim, kind="add", label="D", X=X_trim, y=y_trim)
|
|
|
-
|
|
|
- axes[0].set_ylabel(r"$P(\mathrm{AE}\mid X=x)$", fontsize=12)
|
|
|
- axes[2].set_ylabel(r"$P(\mathrm{AE}\mid X=x)$", fontsize=12)
|
|
|
- axes[2].set_xlabel(r"$X$", fontsize=12)
|
|
|
- axes[3].set_xlabel(r"$X$", fontsize=12)
|
|
|
-
|
|
|
- handles = noise_legend_handles()
|
|
|
-
|
|
|
- leg = axes[3].legend(
|
|
|
- handles=handles,
|
|
|
- loc="lower right",
|
|
|
- bbox_to_anchor=(0.97, 0.05),
|
|
|
- fontsize=9,
|
|
|
- frameon=True
|
|
|
- )
|
|
|
-
|
|
|
- frame = leg.get_frame()
|
|
|
- frame.set_facecolor("white")
|
|
|
- frame.set_edgecolor("#bdbdbd")
|
|
|
- frame.set_linewidth(0.8)
|
|
|
-
|
|
|
- fig.tight_layout()
|
|
|
- return fig, axes
|
|
|
-
|
|
|
-
|
|
|
-# ------------------------------------------------------------
|
|
|
-# wrapper
|
|
|
-# ------------------------------------------------------------
|
|
|
-
|
|
|
-def make_noise_figure(
|
|
|
- X_full,
|
|
|
- y_full,
|
|
|
- X_trim,
|
|
|
- y_trim,
|
|
|
- transform="raw",
|
|
|
- sigma_mult=0.129,
|
|
|
- sigma_add=0.144,
|
|
|
- x_max=5,
|
|
|
- grid_n=1000,
|
|
|
- n_refit=1100,
|
|
|
- n_tta=10000,
|
|
|
- seed=1234,
|
|
|
- l2=1e-8,
|
|
|
- save_path=None,
|
|
|
-):
|
|
|
- pack_full = noise_logistic_bands(
|
|
|
- X_full, y_full,
|
|
|
- transform=transform,
|
|
|
- sigma_mult=sigma_mult,
|
|
|
- sigma_add=sigma_add,
|
|
|
- x_max=x_max,
|
|
|
- grid_n=grid_n,
|
|
|
- n_refit=n_refit,
|
|
|
- n_tta=n_tta,
|
|
|
- seed=seed,
|
|
|
- l2=l2,
|
|
|
- )
|
|
|
-
|
|
|
- pack_trim = noise_logistic_bands(
|
|
|
- X_trim, y_trim,
|
|
|
- transform=transform,
|
|
|
- sigma_mult=sigma_mult,
|
|
|
- sigma_add=sigma_add,
|
|
|
- x_max=x_max,
|
|
|
- grid_n=grid_n,
|
|
|
- n_refit=n_refit,
|
|
|
- n_tta=n_tta,
|
|
|
- seed=seed + 100,
|
|
|
- l2=l2,
|
|
|
- )
|
|
|
-
|
|
|
- print("FULL n:", len(X_full), "x50:", pack_full["x50"])
|
|
|
- print("TRIM n:", len(X_trim), "x50:", pack_trim["x50"])
|
|
|
- check_noise_x50(pack_full)
|
|
|
- check_noise_x50(pack_trim)
|
|
|
-
|
|
|
- fig, axes = plot_noise_figure(
|
|
|
- pack_full, pack_trim,
|
|
|
- X_full, y_full,
|
|
|
- X_trim, y_trim,
|
|
|
- figsize=(12, 9),
|
|
|
- dpi=300,
|
|
|
- )
|
|
|
-
|
|
|
- if save_path is not None:
|
|
|
- folder = os.path.dirname(save_path)
|
|
|
- if folder:
|
|
|
- os.makedirs(folder, exist_ok=True)
|
|
|
-
|
|
|
- fig.savefig(f"{save_path}.png", dpi=300, bbox_inches="tight")
|
|
|
- fig.savefig(f"{save_path}.pdf", bbox_inches="tight")
|
|
|
-
|
|
|
- return fig, axes, pack_full, pack_trim
|