Source code for UQpy.sampling.mcmc.ModifiedMetropolisHastings

import logging
from typing import Callable
import warnings

warnings.filterwarnings('ignore')

import numpy as np
from beartype import beartype
from UQpy.sampling.mcmc.baseclass.MCMC import MCMC
from UQpy.distributions import *
from UQpy.utilities.ValidationTypes import *


[docs]class ModifiedMetropolisHastings(MCMC): @beartype def __init__( self, pdf_target: Union[Callable, list[Callable]] = None, log_pdf_target: Union[Callable, list[Callable]] = None, args_target: tuple = None, burn_length: Annotated[int, Is[lambda x: x >= 0]] = 0, jump: PositiveInteger = 1, dimension: int = None, seed: list = None, save_log_pdf: bool = False, concatenate_chains: bool = True, proposal: Union[Distribution, list[Distribution]] = None, proposal_is_symmetric: Union[bool, list[bool]] = False, random_state: RandomStateType = None, n_chains: int = None, nsamples: PositiveInteger = None, nsamples_per_chain: PositiveInteger = None, ): """ Component-wise Modified Metropolis-Hastings algorithm. :cite:`SubsetSimulation` In this algorithm, candidate samples are drawn separately in each dimension, thus the proposal consists of a list of 1D distributions. The target pdf can be given as a joint pdf or a list of marginal pdfs in all dimensions. This will trigger two different algorithms. If a list of marginals is provided, the acceptance ratio is computed for every dimension independently using the marginal densities. If a joint pdf is provided, the acceptance ratio for each component is computed in a loop using this joint pdf. :param pdf_target: Target density function from which to draw random samples. Either `pdf_target` or `log_pdf_target` must be provided (the latter should be preferred for better numerical stability). If `pdf_target` is a callable, it refers to the joint pdf to sample from, it must take at least one input **x**, which are the point(s) at which to evaluate the pdf. Within :class:`.MCMC` the `pdf_target` is evaluated as: :code:`p(x) = pdf_target(x, \*args_target)` where **x** is a :class:`numpy.ndarray` of shape :code:`(nsamples, dimension)` and `args_target` are additional positional arguments that are provided to :class:`.MCMC` via its args_target input. If `pdf_target` is a list of callables, it refers to independent marginals to sample from. The marginal in dimension :code:`j` is evaluated as: :code:`p_j(xj) = pdf_target[j](xj, \*args_target[j])` where **x** is a :class:`numpy.ndarray` of shape :code:`(nsamples, dimension)` :param log_pdf_target: Logarithm of the target density function from which to draw random samples. Either `pdf_target` or `log_pdf_target` must be provided (the latter should be preferred for better numerical stability). Same comments as for input `pdf_target`. :param args_target: Positional arguments of the pdf / log-pdf target function. See `pdf_target` :param burn_length: Length of burn-in - i.e., number of samples at the beginning of the chain to discard (note: no thinning during burn-in). Default is :math:`0`, no burn-in. :param jump: Thinning parameter, used to reduce correlation between samples. Setting :code:`jump=n` corresponds to skipping :code:`n-1` states between accepted states of the chain. Default is :math:`1` (no thinning). :param dimension: A scalar value defining the dimension of target density function. Either `dimension` and `n_chains` or `seed` must be provided. :param seed: Seed of the Markov chain(s), shape :code:`(n_chains, dimension)`. Default: :code:`zeros(n_chains x dimension)`. If `seed` is not provided, both `n_chains` and `dimension` must be provided. :param save_log_pdf: Boolean that indicates whether to save log-pdf values along with the samples. Default: :any:`False` :param concatenate_chains: Boolean that indicates whether to concatenate the chains after a run, i.e., samples are stored as an :class:`numpy.ndarray` of shape :code:`(nsamples * n_chains, dimension)` if :any:`True`, :code:`(nsamples, n_chains, dimension)` if :any:`False`. Default: True :param n_chains: The number of Markov chains to generate. Either `dimension` and `n_chains` or `seed` must be provided. :param proposal: Proposal distribution, must have a log_pdf/pdf and rvs method. Default: standard multivariate normal :param proposal_is_symmetric: Indicates whether the proposal distribution is symmetric, affects computation of acceptance probability alpha Default: :any:`False`, set to :any:`True` if default proposal is used :param random_state: Random seed used to initialize the pseudo-random number generator. Default is :any:`None`. :param nsamples: Number of samples to generate. :param nsamples_per_chain: Number of samples to generate per chain. """ self.nsamples = nsamples self.nsamples_per_chain = nsamples_per_chain super().__init__( pdf_target=pdf_target, log_pdf_target=log_pdf_target, args_target=args_target, dimension=dimension, seed=seed, burn_length=burn_length, jump=jump, save_log_pdf=save_log_pdf, concatenate_chains=concatenate_chains, random_state=random_state, n_chains=n_chains, ) self.target_type = None self.logger = logging.getLogger(__name__) # If proposal is not provided: set it as a list of standard gaussians from UQpy.distributions import Normal self.proposal = proposal self.proposal_is_symmetric = proposal_is_symmetric # set default proposal if self.proposal is None: self.proposal = [Normal(), ] * self.dimension self.proposal_is_symmetric = [True, ] * self.dimension # Proposal is provided, check it else: # only one Distribution is provided, check it and transform it to a list if isinstance(self.proposal, JointIndependent): self.proposal = [m for m in self.proposal.marginals] if len(self.proposal) != self.dimension: raise ValueError("UQpy: Proposal given as a list should be of length dimension") [self._check_methods_proposal(p) for p in self.proposal] elif not isinstance(self.proposal, list): self._check_methods_proposal(self.proposal) self.proposal = [self.proposal] * self.dimension else: # a list of proposals is provided if len(self.proposal) != self.dimension: raise ValueError("UQpy: Proposal given as a list should be of length dimension") [self._check_methods_proposal(p) for p in self.proposal] # check the symmetry of proposal, assign False as default if isinstance(self.proposal_is_symmetric, bool): self.proposal_is_symmetric = [self.proposal_is_symmetric, ] * self.dimension elif not (isinstance(self.proposal_is_symmetric, list) and all(isinstance(b_, bool) for b_ in self.proposal_is_symmetric)): raise TypeError("UQpy: Proposal_is_symmetric should be a (list of) boolean(s)") self.logger.info("\nUQpy: Initialization of " + self.__class__.__name__ + " algorithm complete.") if (nsamples is not None) or (nsamples_per_chain is not None): self.run(nsamples=nsamples, nsamples_per_chain=nsamples_per_chain)
[docs] def run_one_iteration(self, current_state, current_log_pdf): """ Run one iteration of the mcmc chain for MMH algorithm, starting at current state - see :class:`MCMC` class. """ # check with algo type is used if self.evaluate_log_target_marginals is not None: self.target_type = "marginals" self.current_log_pdf_marginals = None else: self.target_type = "joint" # The target pdf is provided via its marginals accept_vec = np.zeros((self.n_chains,)) if self.target_type == "marginals": # Evaluate the current log_pdf if self.current_log_pdf_marginals is None: self.current_log_pdf_marginals = [ self.evaluate_log_target_marginals[j](current_state[:, j, np.newaxis]) for j in range(self.dimension)] # Sample candidate (independently in each dimension) for j in range(self.dimension): candidate_j = current_state[:, j, np.newaxis] + self.proposal[j].rvs( nsamples=self.n_chains, random_state=self.random_state) # Compute log_pdf_target of candidate sample log_p_candidate_j = self.evaluate_log_target_marginals[j](candidate_j) # Compute acceptance ratio if self.proposal_is_symmetric[j]: # proposal is symmetric log_ratios = log_p_candidate_j - self.current_log_pdf_marginals[j] else: # If the proposal is non-symmetric, one needs to account for it in computing acceptance ratio log_prop_j = self.proposal[j].log_pdf log_proposal_ratio = log_prop_j( candidate_j - current_state[:, j, np.newaxis] ) - log_prop_j(current_state[:, j, np.newaxis] - candidate_j) log_ratios = (log_p_candidate_j - self.current_log_pdf_marginals[j] - log_proposal_ratio) # Compare candidate with current sample and decide or not to keep the candidate unif_rvs = Uniform().rvs(nsamples=self.n_chains, random_state=self.random_state).reshape((-1,)) for nc, (cand, log_p_cand, r_) in enumerate(zip(candidate_j, log_p_candidate_j, log_ratios)): accept = np.log(unif_rvs[nc]) < r_ if accept: current_state[nc, j] = cand self.current_log_pdf_marginals[j][nc] = log_p_cand current_log_pdf = np.sum(self.current_log_pdf_marginals) accept_vec[nc] += 1.0 / self.dimension # The target pdf is provided as a joint pdf else: candidate = np.copy(current_state) for j in range(self.dimension): candidate_j = current_state[:, j, np.newaxis] + self.proposal[j].rvs( nsamples=self.n_chains, random_state=self.random_state) candidate[:, j] = candidate_j[:, 0] # Compute log_pdf_target of candidate sample log_p_candidate = self.evaluate_log_target(candidate) # Compare candidate with current sample and decide or not to keep the candidate if self.proposal_is_symmetric[j]: # proposal is symmetric log_ratios = log_p_candidate - current_log_pdf else: # If the proposal is non-symmetric, one needs to account for it in computing acceptance ratio log_prop_j = self.proposal[j].log_pdf log_proposal_ratio = log_prop_j(candidate_j - current_state[:, j, np.newaxis]) -\ log_prop_j(current_state[:, j, np.newaxis] - candidate_j) log_ratios = log_p_candidate - current_log_pdf - log_proposal_ratio unif_rvs = Uniform().rvs(nsamples=self.n_chains, random_state=self.random_state).reshape((-1,)) for nc, (cand, log_p_cand, r_) in enumerate(zip(candidate_j, log_p_candidate, log_ratios)): accept = np.log(unif_rvs[nc]) < r_ if accept: current_state[nc, j] = cand current_log_pdf[nc] = float(log_p_cand) accept_vec[nc] += 1.0 / self.dimension else: candidate[:, j] = current_state[:, j] # Update the acceptance rate self._update_acceptance_rate(accept_vec) return current_state, current_log_pdf