# Copyright (c) 2012, 2013 Ricardo Andrade
# Copyright (c) 2015 James Hensman
# Licensed under the BSD 3-clause license (see LICENSE.txt)
import numpy as np
from scipy.special import ndtr as std_norm_cdf
#define a standard normal pdf
_sqrt_2pi = np.sqrt(2*np.pi)
[docs]def std_norm_pdf(x):
x = np.clip(x,-1e150,1e150)
return np.exp(-np.square(x)/2)/_sqrt_2pi
[docs]def inv_std_norm_cdf(x):
"""
Inverse cumulative standard Gaussian distribution
Based on Winitzki, S. (2008)
"""
z = 2*x -1
ln1z2 = np.log(1-z**2)
a = 8*(np.pi -3)/(3*np.pi*(4-np.pi))
b = 2/(np.pi * a) + ln1z2/2
inv_erf = np.sign(z) * np.sqrt( np.sqrt(b**2 - ln1z2/a) - b )
return np.sqrt(2) * inv_erf
[docs]def logPdfNormal(z):
"""
Robust implementations of log pdf of a standard normal.
@see [[https://github.com/mseeger/apbsint/blob/master/src/eptools/potentials/SpecfunServices.h original implementation]]
in C from Matthias Seeger.
"""
return -0.5 * (M_LN2PI + z * z)
[docs]def cdfNormal(z):
"""
Robust implementations of cdf of a standard normal.
@see [[https://github.com/mseeger/apbsint/blob/master/src/eptools/potentials/SpecfunServices.h original implementation]]
in C from Matthias Seeger.
*/
"""
if (abs(z) < ERF_CODY_LIMIT1):
# Phi(z) approx (1+y R_3(y^2))/2, y=z/sqrt(2)
return 0.5 * (1.0 + (z / M_SQRT2) * _erfRationalHelperR3(0.5 * z * z))
elif (z < 0.0):
# Phi(z) approx N(z)Q(-z)/(-z), z<0
return np.exp(logPdfNormal(z)) * _erfRationalHelper(-z) / (-z)
else:
return 1.0 - np.exp(logPdfNormal(z)) * _erfRationalHelper(z) / z
[docs]def logCdfNormal(z):
"""
Robust implementations of log cdf of a standard normal.
@see [[https://github.com/mseeger/apbsint/blob/master/src/eptools/potentials/SpecfunServices.h original implementation]]
in C from Matthias Seeger.
"""
if (abs(z) < ERF_CODY_LIMIT1):
# Phi(z) approx (1+y R_3(y^2))/2, y=z/sqrt(2)
return np.log1p((z / M_SQRT2) * _erfRationalHelperR3(0.5 * z * z)) - M_LN2
elif (z < 0.0):
# Phi(z) approx N(z)Q(-z)/(-z), z<0
return logPdfNormal(z) - np.log(-z) + np.log(_erfRationalHelper(-z))
else:
return np.log1p(-(np.exp(logPdfNormal(z))) * _erfRationalHelper(z) / z)
[docs]def derivLogCdfNormal(z):
"""
Robust implementations of derivative of the log cdf of a standard normal.
@see [[https://github.com/mseeger/apbsint/blob/master/src/eptools/potentials/SpecfunServices.h original implementation]]
in C from Matthias Seeger.
"""
if (abs(z) < ERF_CODY_LIMIT1):
# Phi(z) approx (1 + y R_3(y^2))/2, y = z/sqrt(2)
return 2.0 * np.exp(logPdfNormal(z)) / (1.0 + (z / M_SQRT2) * _erfRationalHelperR3(0.5 * z * z))
elif (z < 0.0):
# Phi(z) approx N(z) Q(-z)/(-z), z<0
return -z / _erfRationalHelper(-z)
else:
t = np.exp(logPdfNormal(z))
return t / (1.0 - t * _erfRationalHelper(z) / z)
def _erfRationalHelper(x):
assert x > 0.0, "Arg of erfRationalHelper should be >0.0; was {}".format(x)
if (x >= ERF_CODY_LIMIT2):
"""
x/sqrt(2) >= 4
Q(x) = 1 + sqrt(pi) y R_1(y),
R_1(y) = poly(p_j,y) / poly(q_j,y), where y = 2/(x*x)
Ordering of arrays: 4,3,2,1,0,5 (only for numerator p_j; q_5=1)
ATTENTION: The p_j are negative of the entries here
p (see P1_ERF)
q (see Q1_ERF)
"""
y = 2.0 / (x * x)
res = y * P1_ERF[5]
den = y
i = 0
while (i <= 3):
res = (res + P1_ERF[i]) * y
den = (den + Q1_ERF[i]) * y
i += 1
# Minus, because p(j) values have to be negated
return 1.0 - M_SQRTPI * y * (res + P1_ERF[4]) / (den + Q1_ERF[4])
else:
"""
x/sqrt(2) < 4, x/sqrt(2) >= 0.469
Q(x) = sqrt(pi) y R_2(y),
R_2(y) = poly(p_j,y) / poly(q_j,y), y = x/sqrt(2)
Ordering of arrays: 7,6,5,4,3,2,1,0,8 (only p_8; q_8=1)
p (see P2_ERF)
q (see Q2_ERF
"""
y = x / M_SQRT2
res = y * P2_ERF[8]
den = y
i = 0
while (i <= 6):
res = (res + P2_ERF[i]) * y
den = (den + Q2_ERF[i]) * y
i += 1
return M_SQRTPI * y * (res + P2_ERF[7]) / (den + Q2_ERF[7])
def _erfRationalHelperR3(y):
assert y >= 0.0, "Arg of erfRationalHelperR3 should be >=0.0; was {}".format(y)
nom = y * P3_ERF[4]
den = y
i = 0
while (i <= 2):
nom = (nom + P3_ERF[i]) * y
den = (den + Q3_ERF[i]) * y
i += 1
return (nom + P3_ERF[3]) / (den + Q3_ERF[3])
ERF_CODY_LIMIT1 = 0.6629
ERF_CODY_LIMIT2 = 5.6569
M_LN2PI = 1.83787706640934533908193770913
M_LN2 = 0.69314718055994530941723212146
M_SQRTPI = 1.77245385090551602729816748334
M_SQRT2 = 1.41421356237309504880168872421
#weights for the erfHelpers (defined here to avoid redefinitions at every call)
P1_ERF = [
3.05326634961232344e-1, 3.60344899949804439e-1,
1.25781726111229246e-1, 1.60837851487422766e-2,
6.58749161529837803e-4, 1.63153871373020978e-2]
Q1_ERF = [
2.56852019228982242e+0, 1.87295284992346047e+0,
5.27905102951428412e-1, 6.05183413124413191e-2,
2.33520497626869185e-3]
P2_ERF = [
5.64188496988670089e-1, 8.88314979438837594e+0,
6.61191906371416295e+1, 2.98635138197400131e+2,
8.81952221241769090e+2, 1.71204761263407058e+3,
2.05107837782607147e+3, 1.23033935479799725e+3,
2.15311535474403846e-8]
Q2_ERF = [
1.57449261107098347e+1, 1.17693950891312499e+2,
5.37181101862009858e+2, 1.62138957456669019e+3,
3.29079923573345963e+3, 4.36261909014324716e+3,
3.43936767414372164e+3, 1.23033935480374942e+3]
P3_ERF = [
3.16112374387056560e+0, 1.13864154151050156e+2,
3.77485237685302021e+2, 3.20937758913846947e+3,
1.85777706184603153e-1]
Q3_ERF = [
2.36012909523441209e+1, 2.44024637934444173e+2,
1.28261652607737228e+3, 2.84423683343917062e+3]