Source code for gemseo.algos.opt.optimization_library

# Copyright 2021 IRT Saint Exupéry,
# This program is free software; you can redistribute it and/or
# modify it under the terms of the GNU Lesser General Public
# License version 3 as published by the Free Software Foundation.
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# Lesser General Public License for more details.
# You should have received a copy of the GNU Lesser General Public License
# along with this program; if not, write to the Free Software Foundation,
# Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301, USA.
# Contributors:
#    INITIAL AUTHORS - initial API and implementation and/or initial
#                           documentation
#        :author: Damien Guenot
#        :author: Francois Gallard, refactoring
"""Optimization library wrappers base class."""

from __future__ import annotations

from dataclasses import dataclass
from typing import TYPE_CHECKING
from typing import Any

from gemseo.algos._unsuitability_reason import _UnsuitabilityReason
from gemseo.algos.driver_library import DriverDescription
from gemseo.algos.driver_library import DriverLibrary
from gemseo.algos.first_order_stop_criteria import KKTReached
from gemseo.algos.first_order_stop_criteria import is_kkt_residual_norm_reached
from gemseo.algos.first_order_stop_criteria import kkt_residual_computation
from gemseo.algos.opt_problem import OptimizationProblem
from gemseo.algos.stop_criteria import FtolReached
from gemseo.algos.stop_criteria import XtolReached
from gemseo.algos.stop_criteria import is_f_tol_reached
from gemseo.algos.stop_criteria import is_x_tol_reached

    from numpy import ndarray

[docs] @dataclass class OptimizationAlgorithmDescription(DriverDescription): """The description of an optimization algorithm.""" handle_equality_constraints: bool = False """Whether the optimization algorithm handles equality constraints.""" handle_inequality_constraints: bool = False """Whether the optimization algorithm handles inequality constraints.""" handle_multiobjective: bool = False """Whether the optimization algorithm handles multiple objectives.""" positive_constraints: bool = False """Whether the optimization algorithm requires positive constraints.""" problem_type: OptimizationProblem.ProblemType = ( OptimizationProblem.ProblemType.NON_LINEAR ) """The type of problem (see :attr:`.OptimizationProblem.ProblemType`)."""
[docs] class OptimizationLibrary(DriverLibrary): """Base optimization library defining a collection of optimization algorithms. Typically used as: #. Instantiate an :class:`.OptimizationLibrary`. #. Select the algorithm with :attr:`.algo_name`. #. Solve an :class:`.OptimizationProblem` with :meth:`.execute`. Notes: The missing current values of the :class:`.DesignSpace` attached to the :class:`.OptimizationProblem` are automatically initialized with the method :meth:`.DesignSpace.initialize_missing_current_values`. """ MAX_ITER = "max_iter" F_TOL_REL = "ftol_rel" F_TOL_ABS = "ftol_abs" X_TOL_REL = "xtol_rel" X_TOL_ABS = "xtol_abs" _KKT_TOL_ABS = "kkt_tol_abs" _KKT_TOL_REL = "kkt_tol_rel" STOP_CRIT_NX = "stop_crit_n_x" # Maximum step for the line search LS_STEP_SIZE_MAX = "max_ls_step_size" # Maximum number of line search steps (per iteration). LS_STEP_NB_MAX = "max_ls_step_nb" MAX_FUN_EVAL = "max_fun_eval" MAX_TIME = "max_time" PG_TOL = "pg_tol" VERBOSE = "verbose" def __init__(self) -> None: # noqa:D107 super().__init__() self._ftol_rel = 0.0 self._ftol_abs = 0.0 self._xtol_rel = 0.0 self._xtol_abs = 0.0 self.__kkt_abs_tol = 0.0 self.__kkt_rel_tol = 0.0 self.__ref_kkt_norm = None self._stop_crit_n_x = 3 def __algorithm_handles(self, algo_name: str, eq_constraint: bool): """Check if the algorithm handles equality or inequality constraints. Args: algo_name: The name of the algorithm. eq_constraint: Whether the constraints are equality ones. Returns: Whether the algorithm handles the passed type of constraints. """ if algo_name not in self.descriptions: raise KeyError( f"Algorithm {algo_name} not in library {self.__class__.__name__}." ) if eq_constraint: return self.descriptions[algo_name].handle_equality_constraints return self.descriptions[algo_name].handle_inequality_constraints
[docs] def algorithm_handles_eqcstr(self, algo_name: str) -> bool: """Check if an algorithm handles equality constraints. Args: algo_name: The name of the algorithm. Returns: Whether the algorithm handles equality constraints. """ return self.__algorithm_handles(algo_name, True)
[docs] def algorithm_handles_ineqcstr(self, algo_name: str) -> bool: """Check if an algorithm handles inequality constraints. Args: algo_name: The name of the algorithm. Returns: Whether the algorithm handles inequality constraints. """ return self.__algorithm_handles(algo_name, False)
[docs] def is_algo_requires_positive_cstr(self, algo_name: str) -> bool: """Check if an algorithm requires positive constraints. Args: algo_name: The name of the algorithm. Returns: Whether the algorithm requires positive constraints. """ return self.descriptions[algo_name].positive_constraints
def _check_constraints_handling( self, algo_name: str, problem: OptimizationProblem ) -> None: """Check if problem and algorithm are consistent for constraints handling.""" if problem.has_eq_constraints() and not self.algorithm_handles_eqcstr( algo_name ): raise ValueError( "Requested optimization algorithm " "%s can not handle equality constraints." % algo_name ) if problem.has_ineq_constraints() and not self.algorithm_handles_ineqcstr( algo_name ): raise ValueError( "Requested optimization algorithm " "%s can not handle inequality constraints." % algo_name )
[docs] def get_right_sign_constraints(self): """Transform the problem constraints into their opposite sign counterpart. This is done if the algorithm requires positive constraints. """ if self.problem.has_ineq_constraints() and self.is_algo_requires_positive_cstr( self.algo_name ): return [-cstr for cstr in self.problem.constraints] return self.problem.constraints
def _pre_run( self, problem: OptimizationProblem, algo_name: str, **options: Any ) -> None: """To be overridden by subclasses. Specific method to be executed just before _run method call. The missing current values of the :class:`.DesignSpace` are initialized with the method :meth:`.DesignSpace.initialize_missing_current_values`. Args: problem: The optimization problem. algo_name: The name of the algorithm. **options: The options of the algorithm, see the associated JSON file. """ super()._pre_run(problem, algo_name, **options) self._check_constraints_handling(algo_name, problem) if self.MAX_ITER in options: max_iter = options[self.MAX_ITER] elif ( self.MAX_ITER in self.OPTIONS_MAP and self.OPTIONS_MAP[self.MAX_ITER] in options ): max_iter = options[self.OPTIONS_MAP[self.MAX_ITER]] else: raise ValueError("Could not determine the maximum number of iterations.") self._ftol_rel = options.get(self.F_TOL_REL, 0.0) self._ftol_abs = options.get(self.F_TOL_ABS, 0.0) self._xtol_rel = options.get(self.X_TOL_REL, 0.0) self._xtol_abs = options.get(self.X_TOL_ABS, 0.0) self.__ineq_tolerance = options.get(self.INEQ_TOLERANCE, problem.ineq_tolerance) self._stop_crit_n_x = options.get(self.STOP_CRIT_NX, 3) self.__kkt_abs_tol = options.get(self._KKT_TOL_ABS, None) self.__kkt_rel_tol = options.get(self._KKT_TOL_REL, None) self.init_iter_observer(max_iter) require_gradient = self.descriptions[self.algo_name].require_gradient if ( self.__kkt_abs_tol is not None or self.__kkt_rel_tol is not None ) and require_gradient: problem.add_callback( self._check_kkt_from_database, each_new_iter=False, each_store=True ) # First, evaluate all functions at x_0. Some algorithms don't do this self.problem.design_space.initialize_missing_current_values() self.problem.evaluate_functions( eval_jac=require_gradient, eval_obj=True, eval_observables=False, normalize=options.get( self.NORMALIZE_DESIGN_SPACE_OPTION, self._NORMALIZE_DS ), ) @classmethod def _get_unsuitability_reason( cls, algorithm_description: OptimizationAlgorithmDescription, problem: OptimizationProblem, ) -> _UnsuitabilityReason: reason = super()._get_unsuitability_reason(algorithm_description, problem) if reason: return reason if ( problem.has_eq_constraints() and not algorithm_description.handle_equality_constraints ): return _UnsuitabilityReason.EQUALITY_CONSTRAINTS if ( problem.has_ineq_constraints() and not algorithm_description.handle_inequality_constraints ): return _UnsuitabilityReason.INEQUALITY_CONSTRAINTS if ( problem.pb_type == problem.ProblemType.NON_LINEAR and algorithm_description.problem_type == problem.ProblemType.LINEAR ): return _UnsuitabilityReason.NON_LINEAR_PROBLEM return reason
[docs] def new_iteration_callback(self, x_vect: ndarray | None = None) -> None: """Verify the design variable and objective value stopping criteria. Raises: FtolReached: If the defined relative or absolute function tolerance is reached. XtolReached: If the defined relative or absolute x tolerance is reached. """ # First check if the max_iter is reached and update the progress bar super().new_iteration_callback(x_vect) if is_f_tol_reached( self.problem, self._ftol_rel, self._ftol_abs, self._stop_crit_n_x ): raise FtolReached if is_x_tol_reached( self.problem, self._xtol_rel, self._xtol_abs, self._stop_crit_n_x ): raise XtolReached
def _check_kkt_from_database(self, x_vect: ndarray | None = None) -> None: """Verify, if required, KKT norm stopping criterion at each database storage. Raises: KKTReached: If the absolute tolerance on the KKT residual is reached. """ check_kkt = True function_names = [ self.problem.get_objective_name(), *self.problem.get_constraint_names(), ] database = self.problem.database for function_name in function_names: if ( database.get_function_value( database.get_gradient_name(function_name), x_vect ) is None ) or (database.get_function_value(function_name, x_vect) is None): check_kkt = False break if check_kkt and (self.__ref_kkt_norm is None): self.__ref_kkt_norm = kkt_residual_computation( self.problem, x_vect, self.__ineq_tolerance ) if check_kkt and is_kkt_residual_norm_reached( self.problem, x_vect, kkt_abs_tol=self.__kkt_abs_tol, kkt_rel_tol=self.__kkt_rel_tol, ineq_tolerance=self.__ineq_tolerance, reference_residual=self.__ref_kkt_norm, ): raise KKTReached