Source code for CADETProcess.optimization.pymooAdapter

import time
import warnings

import numpy as np

from pymoo.core.problem import Problem
from pymoo.util.ref_dirs import get_reference_directions
from pymoo.termination.default import DefaultMultiObjectiveTermination
from pymoo.util.display.multi import MultiObjectiveOutput
from pymoo.core.repair import Repair
from pymoo.algorithms.moo.nsga2 import NSGA2
from pymoo.algorithms.moo.unsga3 import UNSGA3
from pymoo.core.evaluator import Evaluator
from pymoo.core.population import Population
from pymoo.problems.static import StaticProblem

from CADETProcess.dataStructure import UnsignedInteger, UnsignedFloat
from CADETProcess.optimization import OptimizerBase, OptimizationProblem


class PymooInterface(OptimizerBase):
    """Wrapper around pymoo."""
    is_population_based = True

    supports_multi_objective = True
    supports_linear_constraints = True
    supports_linear_equality_constraints = True
    supports_nonlinear_constraints = True
    supports_bounds = True

    ignore_linear_constraints_config = True

    seed = UnsignedInteger(default=12345)
    pop_size = UnsignedInteger()

    xtol = UnsignedFloat(default=1e-8)
    ftol = UnsignedFloat(default=0.0025)
    cvtol = UnsignedFloat(default=1e-6)

    n_max_gen = UnsignedInteger()
    n_skip = UnsignedInteger(default=0)

    x_tol = xtol            # Alias for uniform interface
    f_tol = ftol            # Alias for uniform interface
    cv_tol = cvtol          # Alias for uniform interface
    n_max_iter = n_max_gen  # Alias for uniform interface

    _specific_options = [
        'seed', 'pop_size', 'xtol', 'ftol', 'cvtol', 'n_max_gen', 'n_skip'
    ]

    def run(self, optimization_problem: OptimizationProblem, x0=None):
        """Solve optimization problem using functional pymoo implementation.

        Parameters
        ----------
        optimization_problem : OptimizationProblem
            DESCRIPTION.
        x0 : list, optional
            Initial population of independent variables in untransformed space.

        Returns
        -------
        results : OptimizationResults
            Optimization results including optimization_problem and solver
            configuration.

        See Also
        --------
        evaluate_objectives
        options

        """
        pop_size = self.get_population_size(optimization_problem)

        if x0 is not None:
            pop = x0
        else:
            pop = optimization_problem.create_initial_values(
                pop_size, seed=self.seed, include_dependent_variables=False
            )

        pop = np.array(pop, ndmin=2)

        if len(pop) < pop_size:
            warnings.warn(
                "Initial population smaller than popsize. "
                "Creating missing entries."
            )
            n_remaining = pop_size - len(pop)
            remaining = optimization_problem.create_initial_values(
                n_remaining, seed=self.seed, include_dependent_variables=False
            )
            pop = np.vstack((pop, remaining))
        elif len(pop) > pop_size:
            warnings.warn("Initial population larger than popsize. Omitting overhead.")
            pop = pop[0:pop_size]

        pop = np.array(optimization_problem.transform(pop))

        problem = PymooProblem(optimization_problem, self.parallelization_backend)

        ref_dirs = get_reference_directions(
            "energy",
            optimization_problem.n_objectives,
            pop_size,
            seed=1,
        )

        algorithm = self._cls(
            ref_dirs=ref_dirs,
            pop_size=pop_size,
            sampling=pop,
            repair=RepairIndividuals(optimization_problem),
        )

        n_max_gen = self.get_max_number_of_generations(optimization_problem)

        termination = DefaultMultiObjectiveTermination(
            xtol=self.xtol,
            cvtol=self.cvtol,
            ftol=self.ftol,
            n_max_gen=n_max_gen,
            n_max_evals=self.n_max_evals,
            n_skip=self.n_skip,
        )

        algorithm.setup(
            problem, termination=termination,
            seed=self.seed, verbose=True, save_history=False,
            output=MultiObjectiveOutput(),
        )

        # Restore previous results from checkpoint
        for pop in self.results.populations:
            _ = algorithm.ask()
            if optimization_problem.n_nonlinear_constraints > 0:
                pop = Population.new("X", pop.x, "F", pop.f, "G", pop.cv)
                pop.apply(lambda ind: ind.evaluated.update({"F", "G"}))
                algorithm.evaluator.eval(problem, pop, evaluate_values_of=["F", "G"])
            else:
                pop = Population.new("X", pop.x, "F", pop.f)
                pop.apply(lambda ind: ind.evaluated.update({"F"}))
                algorithm.evaluator.eval(problem, pop, evaluate_values_of=["F"])
            algorithm.evaluator.n_eval += len(pop)
            algorithm.tell(infills=pop)

        while algorithm.has_next():
            # Get current generation
            pop = algorithm.ask()
            X = pop.get("X").tolist()

            # Evaluate objectives and report results
            algorithm.evaluator.eval(problem, pop)

            F = pop.get("F").tolist()
            if optimization_problem.n_nonlinear_constraints > 0:
                G = pop.get("CADET_G").tolist()
                CV = pop.get("CADET_CV").tolist()
            else:
                G = None
                CV = None

            # Handle issue of pymoo not handling np.inf
            pop.set("F", np.nan_to_num(F, posinf=1e300))

            algorithm.tell(infills=pop)

            # Post generation processing
            X_opt = algorithm.opt.get("X").tolist()
            self.run_post_processing(X, F, G, CV, algorithm.n_gen-1, X_opt)

        if algorithm.n_gen >= n_max_gen:
            success = True
            exit_flag = 1
            exit_message = 'Max number of generations exceeded.'
        else:
            success = True
            exit_flag = 0
            exit_message = 'Success'

        self.results.success = success
        self.results.exit_flag = exit_flag
        self.results.exit_message = exit_message

        return self.results

    def get_population_size(self, optimization_problem):
        if self.pop_size is None:
            return min(
                400, max(
                    50*optimization_problem.n_independent_variables, 50
                )
            )
        else:
            return self.pop_size

    def get_max_number_of_generations(self, optimization_problem):
        if self.n_max_gen is None:
            return min(
                100, max(
                    10*optimization_problem.n_independent_variables, 40
                )
            )
        else:
            return self.n_max_gen


[docs] class NSGA2(PymooInterface): _cls = NSGA2 def __str__(self): return 'NSGA2'
[docs] class U_NSGA3(PymooInterface): _cls = UNSGA3 def __str__(self): return 'UNSGA3'
class PymooProblem(Problem): def __init__(self, optimization_problem, parallelization_backend, **kwargs): self.optimization_problem = optimization_problem self.parallelization_backend = parallelization_backend super().__init__( n_var=optimization_problem.n_independent_variables, n_obj=optimization_problem.n_objectives, n_ieq_constr=optimization_problem.n_nonlinear_constraints, xl=optimization_problem.lower_bounds_independent_transformed, xu=optimization_problem.upper_bounds_independent_transformed, **kwargs ) def _evaluate(self, X, out, *args, **kwargs): opt = self.optimization_problem if opt.n_objectives > 0: F = opt.evaluate_objectives_population( X, untransform=True, ensure_minimization=True, parallelization_backend=self.parallelization_backend, ) out["F"] = np.array(F) if opt.n_nonlinear_constraints > 0: G = opt.evaluate_nonlinear_constraints_population( X, untransform=True, parallelization_backend=self.parallelization_backend, ) CV = opt.evaluate_nonlinear_constraints_violation_population( X, untransform=True, parallelization_backend=self.parallelization_backend, ) out["G"] = np.array(CV) out["CADET_G"] = G out["CADET_CV"] = CV class RepairIndividuals(Repair): def __init__(self, optimization_problem, *args, **kwargs): self.optimization_problem = optimization_problem super().__init__(*args, **kwargs) def _do(self, problem, X, **kwargs): # Check if linear (equality) constraints are met X_new = None for i, ind in enumerate(X): if not self.optimization_problem.check_individual( ind, untransform=True, get_dependent_values=True): if X_new is None: X_new = self.optimization_problem.create_initial_values( len(X), include_dependent_variables=False ) x_new = X_new[i, :] X[i, :] = self.optimization_problem.transform(x_new) return X