import numpy as np import scipy import scipy.stats """ Model function p(x|b) = 1/(1 + exp(-F(x|b))) with log odds of polynomial form: log(p(x|b)/(1 - p(x|b))) = F(x|b) F(x|b) = sum_{i=0}^degree b_i x^i with decision function (aka logit) F and parameters b = [b_i]_{i=0}^degree Input: x: scalar value or a array of values b = [b_i]_{i=0}^degree: array of r = degree + 1 floats model parameters array of floats Return: model function values """ def logit_poly_model(x, b): X = np.column_stack([x**i for i in range(len(b))]) F = X @ b return 1/(1 + np.exp(-F)) """ Performing logistic regression with log odds of polynomial form: log(p(x|b)/(1 - p(x|b))) = F(x|b) F(x|b) = sum_{i=0}^degree b_i x^i with decision function (aka logit) F and b = [b_i]_{i=0}^degree. This gives p(x|b) = 1/(1 + exp(-F(x|b))) Input: lm: instance linear_model.LogisticRegression x: array of n floats y: array of n floats d: degree of decision function Return: params = [b_0, ..., b_degree], array of r = degree + 1 floats """ def logit_poly_fit(lm, x, y, degree = 1): X_feature = np.column_stack([x**i for i in range(1, degree+1)]) lm.fit(X_feature, y) return np.r_[lm.intercept_[0], lm.coef_[0,:]] """ Producing goodness of fit measures: LLF = log_likelihood function AIC = Akaike information criterion BIC = Bayesian information criterion Input: x: array of n floats y: array of n int in {0,1} b: array of r = degree+1 floats, model parameters Return: {"n": n, "k":k, "dof":n-k, "LLF": log_likelihood, "AIC": AIC, "BIC": BIC} Ref: https://en.wikipedia.org/wiki/Logistic_regression https://en.wikipedia.org/wiki/Akaike_information_criterion https://www.medicine.mcgill.ca/epidemiology/joseph/courses/epib-621/logfit.pdf """ def logit_poly_goodness_of_fit(x, y, b): # model probabilities p = logit_poly_model(x, b) # log likelihood eps = 1e-20 # prevent log(0) llf = np.sum(y*np.log(p + eps) + (1 - y)*np.log(1 - p + eps)) # information criteria k, n = len(b), len(x) AIC = 2*k - 2*llf BIC = k*np.log(n) - 2*llf # chi2 dof = n - k r = (y - p)/np.sqrt(p*(1-p)) chi2 = np.sum(r**2) p_val = scipy.stats.chi2.sf(chi2, dof) return {"LLF": llf, "AIC": AIC, "BIC": BIC, "chi2": chi2, "p-value(chi2)": p_val, "n": n, "k": k, "dof": dof} """ Calculation of asymptotic variance-covariance matrix for the logistic regression of the polynomial model: log(p(x)/(1 - p(x))) ~ sum_{i=0}^degree b_i x^i Input: x: array of n floats b: array of r = degree+1 floats, model parameters Return: array of rxr floats; r = degree + 1 Ref: https://stats.stackexchange.com/questions/89484/how-to-compute-the-standard-errors-of-a-logistic-regressions-coefficients """ def logit_poly_cov(x, b): # Calculate matrix of predicted class probabilities. probs = logit_poly_model(x, b) # Design matrix -- add column of 1's at the beginning of your X_train matrix X = np.column_stack([x**i for i in range(len(b))]) # Initiate matrix of 0's, fill diagonal with each predicted observation's variance V = np.diagflat(probs*(1 - probs)) # dig.matrix where each element is p*(1-p) # Covariance matrix C_params = (X^T V X)^-1 return np.linalg.inv(X.T@V@X) """ Calculating quantiles of the model parameters at given probabilities p for normal distribution of parameters: b ~ N(mean_b, cov) Input: probs: array of m floats, probabilities mean_b: array of r = degree+1 floats, mean model parameters cov: array of rxr floats, variance-covariance matrix of parameters Return: array of mxn floats """ def logit_poly_pars_quantiles_normal(probs, mean_b, cov): # mean and standard variance parameters locs = mean_b scales = np.sqrt(np.diag(cov)) # computing quantiles of parameters return locs + np.outer(scipy.stats.norm.ppf(probs), scales) """ Calculating quantiles of the model values p(x|b) = 1/(1 + exp(-F(x|b))) with F(x|b) = sum_{i=0}^degree x^i b_i at given probabilities p and values x assuming normal distribution of parameters: b ~ N(mean_b, cov) This distribution is asymptotic MLE distribution of parameters. Input: x: array of n float probs: array of m floats, probabilities mean_b: array of r = degree+1 floats, mean model parameters cov: array of rxr floats, variance-covariance matrix of parameters Return: array of mxn floats """ def logit_poly_model_quantiles_normal(x, probs, mean_b, cov): X = np.column_stack([x**i for i in range(len(mean_b))]) # mean and standard variance of logit (aka log of odds) locs = X@mean_b scales = np.sqrt(np.diag(X@cov@X.T)) # computing quantiles of logit Q = locs + np.outer(scipy.stats.norm.ppf(probs),scales) # convert logit to expit return 1/(1 + np.exp(-Q)) """ Calculating quantiles using delta method of the model values p(x|b) = 1/(1 + exp(-F(x|b))) with F(x|b) = sum_{i=0}^degree x^i b_i at given probabilities p and values x assuming normal distribution of parameters : b ~ N(mean_b, cov) This distribution is asymptotic MLE distribution of parameters. We approximate exact model with linear expansion p(x|b) = p(x|b_mean) + dp/db(x| b_mean) (b - b_mean) and the last term is normally distributed. Input: x: array of n float probs: array of m floats, probabilities mean_b: array of r = degree+1 floats, mean model parameters cov: array of rxr floats, variance-covariance matrix of parameters Return: array of mxn floats """ def logit_poly_model_quantiles_delta(x, probs, mean_b, cov): X = np.column_stack([x**i for i in range(len(mean_b))]) F = X@mean_b locs = 1/(1 + np.exp(-F)) scales = np.sqrt(np.diag(X@cov@X.T))/(4*np.cosh(F/2)**2) # computing quantiles of logit Q = locs + np.outer(scipy.stats.norm.ppf(probs), scales) return np.clip(Q, a_min = 0, a_max = 1) """ Generate m parameters via non-parametric bootstrapping with a minimal constraint that both groups should be present in the sampled data. Input: lm: linear_model.LogisticRegression x : array of n floats y : array of n int in {0,1} m: integer, number of samples degree: int, degree of decision function seed : int, seed for the random generator Return: array of mx(degree + 1) Return: array of mx(degree + 1) """ def get_nonparam_boots_pars(lm, x, y, m, degree = 1, seed = 1977): rng = np.random.default_rng(seed) # fitting original data pars = logit_poly_fit(lm, x, y, degree = degree) n = len(x) # generate parameters lst = [pars] while True: # create set indices for sampling with replacement + constraint idx = rng.choice(n, n) if np.sum(y[idx]) in [0, n]: continue lst.append(logit_poly_fit(lm, x[idx], y[idx], degree=degree)) if len(lst) == m: break return np.array(lst) """ Generate m parameters via non-parametric stratified bootstrapping. Input: lm: linear_model.LogisticRegression x : array of n floats y : array of n int in {0,1} m: integer, number of samples degree: int, degree of decision function seed : int, seed for the random generator Return: array of mx(degree + 1) """ def get_nonparam_stratified_boots_pars(lm, x, y, m, degree = 1, seed = 1977): rng = np.random.default_rng(seed) # pars of original data pars = logit_poly_fit(lm, x, y, degree = degree) # statistics about groups xs = [x[y == i] for i in range(2)] ns = [len(e) for e in xs] # common vector states yb = np.concatenate([np.full(ns[i], i) for i in range(2)]) # generate parameters lst = [pars] for _ in range(m): # stratified sampling with replacement xb = np.concatenate([rng.choice(xs[i], ns[i]) for i in range(2)]) # do fitting lst.append(logit_poly_fit(lm, xb, yb, degree = degree)) return np.array(lst) """ Generate m parameters via parametric bootstrapping. Input: lm: linear_model.LogisticRegression x : array of n floats y : array of n int in {0,1} m: integer, number of samples degree: int, degree of decision function seed : int, seed for the random generator Return: array of mx(degree + 1) Ref: * https://www.scirp.org/journal/paperinformation?paperid=70962 """ def get_parametric_boots_pars(lm, x, y, m, degree = 1, seed = 1977): # first discuss original dataset pars = logit_poly_fit(lm, x, y, degree = degree) p = logit_poly_model(x, pars) rng = np.random.default_rng(seed) n = len(x) # generate parameters lst = [pars] while True: # Generate new binary outcomes from Bernoulli(p_i) y_sim = np.random.binomial(n = 1, p = p) if np.sum(y_sim) in [0, n]: continue lst.append(logit_poly_fit(lm, x, y_sim, degree = degree)) if len(lst) == m: break return np.array(lst)