mantis_evalkit/lib/python3.10/site-packages/skopt/optimizer/base.py

"""Abstraction for optimizers.

It is sufficient that one re-implements the base estimator.
"""

import numbers
import warnings

try:
    from collections.abc import Iterable
except ImportError:
    from collections.abc import Iterable

from ..callbacks import VerboseCallback, check_callback
from ..utils import eval_callbacks
from .optimizer import Optimizer


def base_minimize(
    func,
    dimensions,
    base_estimator,
    n_calls=100,
    n_random_starts=None,
    n_initial_points=10,
    initial_point_generator="random",
    acq_func="EI",
    acq_optimizer="lbfgs",
    x0=None,
    y0=None,
    random_state=None,
    verbose=False,
    callback=None,
    n_points=10000,
    n_restarts_optimizer=5,
    xi=0.01,
    kappa=1.96,
    n_jobs=1,
    model_queue_size=None,
    space_constraint=None,
):
    """Base optimizer class.

    Parameters
    ----------
    func : callable
        Function to minimize. Should take a single list of parameters
        and return the objective value.

        If you have a search-space where all dimensions have names,
        then you can use :func:`skopt.utils.use_named_args` as a decorator
        on your objective function, in order to call it directly
        with the named arguments. See `use_named_args` for an example.

    dimensions : list, shape (n_dims,)
        List of search space dimensions.
        Each search dimension can be defined either as

        - a `(lower_bound, upper_bound)` tuple (for `Real` or `Integer`
          dimensions),
        - a `(lower_bound, upper_bound, "prior")` tuple (for `Real`
          dimensions),
        - as a list of categories (for `Categorical` dimensions), or
        - an instance of a `Dimension` object (`Real`, `Integer` or
          `Categorical`).

         .. note:: The upper and lower bounds are inclusive for `Integer`
            dimensions.

    base_estimator : sklearn regressor
        Should inherit from `sklearn.base.RegressorMixin`.
        In addition, should have an optional `return_std` argument,
        which returns `std(Y | x)` along with `E[Y | x]`.

    n_calls : int, default: 100
        Maximum number of calls to `func`. An objective function will
        always be evaluated this number of times; Various options to
        supply initialization points do not affect this value.

    n_random_starts : int, default: None
        Number of evaluations of `func` with random points before
        approximating it with `base_estimator`.

        .. deprecated:: 0.8
            use `n_initial_points` instead.

    n_initial_points : int, default: 10
        Number of evaluations of `func` with initialization points
        before approximating it with `base_estimator`. Initial point
        generator can be changed by setting `initial_point_generator`.

    initial_point_generator : str, InitialPointGenerator instance, \
            default: `"random"`
        Sets a initial points generator. Can be either

        - `"random"` for uniform random numbers,
        - `"sobol"` for a Sobol' sequence,
        - `"halton"` for a Halton sequence,
        - `"hammersly"` for a Hammersly sequence,
        - `"lhs"` for a latin hypercube sequence,
        - `"grid"` for a uniform grid sequence

    acq_func : string, default: `"EI"`
        Function to minimize over the posterior distribution. Can be either

        - `"LCB"` for lower confidence bound,
        - `"EI"` for negative expected improvement,
        - `"PI"` for negative probability of improvement.
        - `"EIps"` for negated expected improvement per second to take into
          account the function compute time. Then, the objective function is
          assumed to return two values, the first being the objective value and
          the second being the time taken in seconds.
        - `"PIps"` for negated probability of improvement per second. The
          return type of the objective function is assumed to be similar to
          that of `"EIps"`

    acq_optimizer : string, `"sampling"` or `"lbfgs"`, default: `"lbfgs"`
        Method to minimize the acquisition function. The fit model
        is updated with the optimal value obtained by optimizing `acq_func`
        with `acq_optimizer`.

        - If set to `"sampling"`, then `acq_func` is optimized by computing
          `acq_func` at `n_points` randomly sampled points and the smallest
          value found is used.
        - If set to `"lbfgs"`, then

          - The `n_restarts_optimizer` no. of points which the acquisition
            function is least are taken as start points.
          - `"lbfgs"` is run for 20 iterations with these points as initial
            points to find local minima.
          - The optimal of these local minima is used to update the prior.

    x0 : list, list of lists or `None`
        Initial input points.

        - If it is a list of lists, use it as a list of input points. If no
          corresponding outputs `y0` are supplied, then len(x0) of total
          calls to the objective function will be spent evaluating the points
          in `x0`. If the corresponding outputs are provided, then they will
          be used together with evaluated points during a run of the algorithm
          to construct a surrogate.
        - If it is a list, use it as a single initial input point. The
          algorithm will spend 1 call to evaluate the initial point, if the
          outputs are not provided.
        - If it is `None`, no initial input points are used.

    y0 : list, scalar or `None`
        Objective values at initial input points.

        - If it is a list, then it corresponds to evaluations of the function
          at each element of `x0` : the i-th element of `y0` corresponds
          to the function evaluated at the i-th element of `x0`.
        - If it is a scalar, then it corresponds to the evaluation of the
          function at `x0`.
        - If it is None and `x0` is provided, then the function is evaluated
          at each element of `x0`.

    random_state : int, RandomState instance, or None (default)
        Set random state to something other than None for reproducible
        results.

    verbose : boolean, default: False
        Control the verbosity. It is advised to set the verbosity to True
        for long optimization runs.

    callback : callable, list of callables, optional
        If callable then `callback(res)` is called after each call to `func`.
        If list of callables, then each callable in the list is called.

    n_points : int, default: 10000
        If `acq_optimizer` is set to `"sampling"`, then `acq_func` is
        optimized by computing `acq_func` at `n_points` randomly sampled
        points.

    n_restarts_optimizer : int, default: 5
        The number of restarts of the optimizer when `acq_optimizer`
        is `"lbfgs"`.

    xi : float, default: 0.01
        Controls how much improvement one wants over the previous best
        values. Used when the acquisition is either `"EI"` or `"PI"`.

    kappa : float, default: 1.96
        Controls how much of the variance in the predicted values should be
        taken into account. If set to be very high, then we are favouring
        exploration over exploitation and vice versa.
        Used when the acquisition is `"LCB"`.

    n_jobs : int, default: 1
        Number of cores to run in parallel while running the lbfgs
        optimizations over the acquisition function and given to
        the base_estimator. Valid only when
        `acq_optimizer` is set to "lbfgs". or when the base_estimator
        supports n_jobs as parameter and was given as string.
        Defaults to 1 core. If `n_jobs=-1`, then number of jobs is set
        to number of cores.

    model_queue_size : int or None, default: None
        Keeps list of models only as long as the argument given. In the
        case of None, the list has no capped length.

    space_constraint : callable or None, default: None
        Constraint function. Should take a single list of parameters
        (i.e. a point in space) and return True if the point satisfies
        the constraints.
        If None, the space is not conditionally constrained.

    Returns
    -------
    res : `OptimizeResult`, scipy object
        The optimization result returned as a OptimizeResult object.
        Important attributes are:

        - `x` [list]: location of the minimum.
        - `fun` [float]: function value at the minimum.
        - `models`: surrogate models used for each iteration.
        - `x_iters` [list of lists]: location of function evaluation for each
          iteration.
        - `func_vals` [array]: function value for each iteration.
        - `space` [Space]: the optimization space.
        - `specs` [dict]`: the call specifications.
        - `rng` [RandomState instance]: State of the random state
          at the end of minimization.

        For more details related to the OptimizeResult object, refer
        http://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.OptimizeResult.html
    """
    specs = {"args": locals(), "function": "base_minimize"}

    acq_optimizer_kwargs = {
        "n_points": n_points,
        "n_restarts_optimizer": n_restarts_optimizer,
        "n_jobs": n_jobs,
    }
    acq_func_kwargs = {"xi": xi, "kappa": kappa}

    # Initialize optimization
    # Suppose there are points provided (x0 and y0), record them

    # check x0: list-like, requirement of minimal points
    if x0 is None:
        x0 = []
    elif not isinstance(x0[0], (list, tuple)):
        x0 = [x0]
    if not isinstance(x0, list):
        raise ValueError("`x0` should be a list, but got %s" % type(x0))

    # Check `n_random_starts` deprecation first
    if n_random_starts is not None:
        warnings.warn(
            (
                "n_random_starts will be removed in favour of "
                "n_initial_points. It overwrites n_initial_points."
            ),
            DeprecationWarning,
        )
        n_initial_points = n_random_starts

    if n_initial_points <= 0 and not x0:
        raise ValueError("Either set `n_initial_points` > 0," " or provide `x0`")
    # check y0: list-like, requirement of maximal calls
    if isinstance(y0, Iterable):
        y0 = list(y0)
    elif isinstance(y0, numbers.Number):
        y0 = [y0]
    required_calls = n_initial_points + (len(x0) if not y0 else 0)
    if n_calls < required_calls:
        raise ValueError("Expected `n_calls` >= %d, got %d" % (required_calls, n_calls))
    # calculate the total number of initial points
    n_random = n_initial_points
    n_initial_points = n_initial_points + len(x0)

    # Build optimizer

    # create optimizer class
    optimizer = Optimizer(
        dimensions,
        base_estimator,
        n_initial_points=n_initial_points,
        initial_point_generator=initial_point_generator,
        n_jobs=n_jobs,
        acq_func=acq_func,
        acq_optimizer=acq_optimizer,
        random_state=random_state,
        model_queue_size=model_queue_size,
        space_constraint=space_constraint,
        acq_optimizer_kwargs=acq_optimizer_kwargs,
        acq_func_kwargs=acq_func_kwargs,
    )
    # check x0: element-wise data type, dimensionality
    assert all(isinstance(p, Iterable) for p in x0)
    if not all(len(p) == optimizer.space.n_dims for p in x0):
        raise RuntimeError(
            "Optimization space (%s) and initial points in x0 "
            "use inconsistent dimensions." % optimizer.space
        )
    # check callback
    callbacks = check_callback(callback)
    if verbose:
        callbacks.append(
            VerboseCallback(
                n_init=len(x0) if not y0 else 0,
                n_random=n_random,
                n_total=n_calls,
            )
        )

    # Record provided points

    # create return object
    result = None
    # evaluate y0 if only x0 is provided
    if x0 and y0 is None:
        y0 = list(map(func, x0))
        n_calls -= len(y0)
    # record through tell function
    if x0:
        if not (isinstance(y0, Iterable) or isinstance(y0, numbers.Number)):
            raise ValueError(
                "`y0` should be an iterable or a scalar, got %s" % type(y0)
            )
        if len(x0) != len(y0):
            raise ValueError("`x0` and `y0` should have the same length")
        result = optimizer.tell(x0, y0)
        result.specs = specs
        if eval_callbacks(callbacks, result):
            return result

    # Optimize
    for _ in range(n_calls):
        next_x = optimizer.ask()
        next_y = func(next_x)
        result = optimizer.tell(next_x, next_y)
        result.specs = specs
        if eval_callbacks(callbacks, result):
            break

    return result