# -*- coding: utf-8 -*-
import logging
import numpy as np
__all__ = ["function_1d", "integrated_time", "AutocorrError"]
logger = logging.getLogger(__name__)
def next_pow_two(n):
"""Returns the next power of two greater than or equal to `n`"""
i = 1
while i < n:
i = i << 1
return i
def function_1d(x):
"""Estimate the normalized autocorrelation function of a 1-D series
Args:
x: The series as a 1-D numpy array.
Returns:
array: The autocorrelation function of the time series.
"""
x = np.atleast_1d(x)
if len(x.shape) != 1:
raise ValueError("invalid dimensions for 1D autocorrelation function")
n = next_pow_two(len(x))
# Compute the FFT and then (from that) the auto-correlation function
f = np.fft.fft(x - np.mean(x), n=2 * n)
acf = np.fft.ifft(f * np.conjugate(f))[: len(x)].real
acf /= acf[0]
return acf
def auto_window(taus, c):
m = np.arange(len(taus)) < c * taus
if np.any(m):
return np.argmin(m)
return len(taus) - 1
[docs]def integrated_time(x, c=5, tol=50, quiet=False, has_walkers=True):
"""Estimate the integrated autocorrelation time of a time series.
This estimate uses the iterative procedure described on page 16 of
`Sokal's notes <https://www.semanticscholar.org/paper/Monte-Carlo-Methods-in-Statistical-Mechanics%3A-and-Sokal/0bfe9e3db30605fe2d4d26e1a288a5e2997e7225>`_ to
determine a reasonable window size.
Args:
x (numpy.ndarray): The time series. If 2-dimensional, the array
dimesions are interpreted as ``(n_step, n_walker)`` unless
``has_walkers==False``, in which case they are interpreted as
``(n_step, n_param)``. If 3-dimensional, the dimensions are
interperted as ``(n_step, n_walker, n_param)``.
c (Optional[float]): The step size for the window search. (default:
``5``)
tol (Optional[float]): The minimum number of autocorrelation times
needed to trust the estimate. (default: ``50``)
quiet (Optional[bool]): This argument controls the behavior when the
chain is too short. If ``True``, give a warning instead of raising
an :class:`AutocorrError`. (default: ``False``)
has_walkers (Optional[bool]): Whether the last axis should be
interpreted as walkers or parameters if ``x`` has 2 dimensions.
(default: ``True``)
Returns:
float or array: An estimate of the integrated autocorrelation time of
the time series ``x``.
Raises
AutocorrError: If the autocorrelation time can't be reliably estimated
from the chain and ``quiet`` is ``False``. This normally means
that the chain is too short.
"""
x = np.atleast_1d(x)
if len(x.shape) == 1:
x = x[:, np.newaxis, np.newaxis]
if len(x.shape) == 2:
if not has_walkers:
x = x[:, np.newaxis, :]
else:
x = x[:, :, np.newaxis]
if len(x.shape) != 3:
raise ValueError("invalid dimensions")
n_t, n_w, n_d = x.shape
tau_est = np.empty(n_d)
windows = np.empty(n_d, dtype=int)
# Loop over parameters
for d in range(n_d):
f = np.zeros(n_t)
for k in range(n_w):
f += function_1d(x[:, k, d])
f /= n_w
taus = 2.0 * np.cumsum(f) - 1.0
windows[d] = auto_window(taus, c)
tau_est[d] = taus[windows[d]]
# Check convergence
flag = tol * tau_est > n_t
# Warn or raise in the case of non-convergence
if np.any(flag):
msg = (
"The chain is shorter than {0} times the integrated "
"autocorrelation time for {1} parameter(s). Use this estimate "
"with caution and run a longer chain!\n"
).format(tol, np.sum(flag))
msg += "N/{0} = {1:.0f};\ntau: {2}".format(tol, n_t / tol, tau_est)
if not quiet:
raise AutocorrError(tau_est, msg)
logger.warning(msg)
return tau_est
class AutocorrError(Exception):
"""Raised if the chain is too short to estimate an autocorrelation time.
The current estimate of the autocorrelation time can be accessed via the
``tau`` attribute of this exception.
"""
def __init__(self, tau, *args, **kwargs):
self.tau = tau
super(AutocorrError, self).__init__(*args, **kwargs)