Source code for qiskit.aqua.components.optimizers.l_bfgs_b

# -*- coding: utf-8 -*-

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# (C) Copyright IBM 2018, 2020.
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"""Limited-memory BFGS Bound optimizer."""

import logging

from scipy import optimize as sciopt
from .optimizer import Optimizer

logger = logging.getLogger(__name__)

# pylint: disable=invalid-name


[docs]class L_BFGS_B(Optimizer): """ Limited-memory BFGS Bound optimizer. The target goal of Limited-memory Broyden-Fletcher-Goldfarb-Shanno Bound (L-BFGS-B) is to minimize the value of a differentiable scalar function :math:`f`. This optimizer is a quasi-Newton method, meaning that, in contrast to Newtons's method, it does not require :math:`f`'s Hessian (the matrix of :math:`f`'s second derivatives) when attempting to compute :math:`f`'s minimum value. Like BFGS, L-BFGS is an iterative method for solving unconstrained, non-linear optimization problems, but approximates BFGS using a limited amount of computer memory. L-BFGS starts with an initial estimate of the optimal value, and proceeds iteratively to refine that estimate with a sequence of better estimates. The derivatives of :math:`f` are used to identify the direction of steepest descent, and also to form an estimate of the Hessian matrix (second derivative) of :math:`f`. L-BFGS-B extends L-BFGS to handle simple, per-variable bound constraints. Uses scipy.optimize.fmin_l_bfgs_b. For further detail, please refer to https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.fmin_l_bfgs_b.html """ _OPTIONS = ['maxfun', 'maxiter', 'factr', 'iprint', 'epsilon'] # pylint: disable=unused-argument def __init__(self, maxfun: int = 1000, maxiter: int = 15000, factr: float = 10, iprint: int = -1, epsilon: float = 1e-08) -> None: r""" Args: maxfun: Maximum number of function evaluations. maxiter: Maximum number of iterations. factr: The iteration stops when (f\^k - f\^{k+1})/max{\|f\^k\|, \|f\^{k+1}\|,1} <= factr * eps, where eps is the machine precision, which is automatically generated by the code. Typical values for factr are: 1e12 for low accuracy; 1e7 for moderate accuracy; 10.0 for extremely high accuracy. See Notes for relationship to ftol, which is exposed (instead of factr) by the scipy.optimize.minimize interface to L-BFGS-B. iprint: Controls the frequency of output. iprint < 0 means no output; iprint = 0 print only one line at the last iteration; 0 < iprint < 99 print also f and \|proj g\| every iprint iterations; iprint = 99 print details of every iteration except n-vectors; iprint = 100 print also the changes of active set and final x; iprint > 100 print details of every iteration including x and g. epsilon: Step size used when approx_grad is True, for numerically calculating the gradient """ super().__init__() for k, v in locals().items(): if k in self._OPTIONS: self._options[k] = v
[docs] def get_support_level(self): """ Return support level dictionary """ return { 'gradient': Optimizer.SupportLevel.supported, 'bounds': Optimizer.SupportLevel.supported, 'initial_point': Optimizer.SupportLevel.required }
[docs] def optimize(self, num_vars, objective_function, gradient_function=None, variable_bounds=None, initial_point=None): super().optimize(num_vars, objective_function, gradient_function, variable_bounds, initial_point) if gradient_function is None and self._max_evals_grouped > 1: epsilon = self._options['epsilon'] gradient_function = Optimizer.wrap_function(Optimizer.gradient_num_diff, (objective_function, epsilon, self._max_evals_grouped)) approx_grad = bool(gradient_function is None) sol, opt, info = sciopt.fmin_l_bfgs_b(objective_function, initial_point, bounds=variable_bounds, fprime=gradient_function, approx_grad=approx_grad, **self._options) return sol, opt, info['funcalls']