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ESSOptimizer: allow passing an optimizer factory #1181

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Nov 17, 2023
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42 changes: 33 additions & 9 deletions pypesto/optimize/ess/ess.py
Original file line number Diff line number Diff line change
Expand Up @@ -27,7 +27,7 @@
import enum
import logging
import time
from typing import List, Optional, Tuple
from typing import Callable, List, Optional, Tuple, Union
from warnings import warn

import numpy as np
Expand Down Expand Up @@ -75,7 +75,10 @@ def __init__(
local_n1: int = 1,
local_n2: int = 10,
balance: float = 0.5,
local_optimizer: 'pypesto.optimize.Optimizer' = None,
local_optimizer: Union[
"pypesto.optimize.Optimizer",
Callable[..., "pypesto.optimize.Optimizer"],
] = None,
max_eval=np.inf,
n_diverse: int = None,
n_procs=None,
Expand All @@ -100,7 +103,11 @@ def __init__(
searches. Maximally one local search per performed in each
iteration.
local_optimizer:
Local optimizer for refinement, or ``None`` to skip local searches.
Local optimizer for refinement, or a callable that creates an
:class:`pypesto.optimize.Optimizer` or ``None`` to skip local searches.
In case of a callable, it will be called with the keyword arguments
`max_walltime_s` and `max_eval`, which should be passed to the optimizer
(if supported) to honor the overall budget.
n_diverse:
Number of samples to choose from to construct the initial RefSet
max_eval:
Expand Down Expand Up @@ -331,19 +338,28 @@ def _keep_going(self) -> bool:
self.exit_flag = ESSExitFlag.MAX_ITER
return False

if self.evaluator.n_eval >= self.max_eval:
if self._get_remaining_eval() <= 0:
self.exit_flag = ESSExitFlag.MAX_EVAL
return False

if (
self.max_walltime_s is not None
and time.time() - self.starttime > self.max_walltime_s
):
if self._get_remaining_time() <= 0:
self.exit_flag = ESSExitFlag.MAX_TIME
return False

return True

def _get_remaining_time(self):
"""Get remaining wall time in seconds."""
if self.max_walltime_s is None:
return np.inf
return self.max_walltime_s - (time.time() - self.starttime)

def _get_remaining_eval(self):
"""Get remaining function evaluations."""
if self.max_eval is None:
return np.inf
return self.max_eval - self.evaluator.n_eval

def _combine_solutions(self) -> Tuple[np.array, np.array]:
"""Combine solutions and evaluate.

Expand Down Expand Up @@ -464,7 +480,15 @@ def _do_local_search(

# actual local search
# TODO DW: try alternatives if it fails on initial point?
optimizer_result: OptimizerResult = self.local_optimizer.minimize(
optimizer = (
self.local_optimizer
if isinstance(self.local_optimizer, pypesto.optimize.Optimizer)
else self.local_optimizer(
max_eval=self._get_remaining_eval(),
max_walltime_s=self._get_remaining_time(),
)
)
optimizer_result: OptimizerResult = optimizer.minimize(
problem=self.evaluator.problem,
x0=local_search_x0,
id="0",
Expand Down
7 changes: 6 additions & 1 deletion test/optimize/test_optimize.py
Original file line number Diff line number Diff line change
Expand Up @@ -525,11 +525,16 @@ def test_ess_multiprocess(problem, request):
# Not pickleable - incompatible with CESS
pytest.skip()

from fides.constants import Options as FidesOptions

from pypesto.optimize.ess import ESSOptimizer, FunctionEvaluatorMP, RefSet

ess = ESSOptimizer(
max_iter=20,
local_optimizer=optimize.FidesOptimizer(),
# also test passing a callable as local_optimizer
local_optimizer=lambda max_walltime_s, **kwargs: optimize.FidesOptimizer(
options={FidesOptions.MAXTIME: max_walltime_s}
),
)
refset = RefSet(
dim=10,
Expand Down