scipy 1.16.1__cp314-cp314t-manylinux2014_x86_64.manylinux_2_17_x86_64.whl

scipy/optimize/_constraints.py

@@ -0,0 +1,598 @@
+"""Constraints definition for minimize."""
+from warnings import warn, catch_warnings, simplefilter, filterwarnings
+
+import numpy as np
+
+from ._differentiable_functions import (
+    VectorFunction, LinearVectorFunction, IdentityVectorFunction
+)
+from ._hessian_update_strategy import BFGS
+from ._optimize import OptimizeWarning
+
+from scipy._lib._sparse import issparse
+
+
+def _arr_to_scalar(x):
+    # If x is a numpy array, return x.item().  This will
+    # fail if the array has more than one element.
+    return x.item() if isinstance(x, np.ndarray) else x
+
+
+class NonlinearConstraint:
+    """Nonlinear constraint on the variables.
+
+    The constraint has the general inequality form::
+
+        lb <= fun(x) <= ub
+
+    Here the vector of independent variables x is passed as ndarray of shape
+    (n,) and ``fun`` returns a vector with m components.
+
+    It is possible to use equal bounds to represent an equality constraint or
+    infinite bounds to represent a one-sided constraint.
+
+    Parameters
+    ----------
+    fun : callable
+        The function defining the constraint.
+        The signature is ``fun(x) -> array_like, shape (m,)``.
+    lb, ub : array_like
+        Lower and upper bounds on the constraint. Each array must have the
+        shape (m,) or be a scalar, in the latter case a bound will be the same
+        for all components of the constraint. Use ``np.inf`` with an
+        appropriate sign to specify a one-sided constraint.
+        Set components of `lb` and `ub` equal to represent an equality
+        constraint. Note that you can mix constraints of different types:
+        interval, one-sided or equality, by setting different components of
+        `lb` and `ub` as  necessary.
+    jac : {callable,  '2-point', '3-point', 'cs'}, optional
+        Method of computing the Jacobian matrix (an m-by-n matrix,
+        where element (i, j) is the partial derivative of f[i] with
+        respect to x[j]).  The keywords {'2-point', '3-point',
+        'cs'} select a finite difference scheme for the numerical estimation.
+        A callable must have the following signature::
+
+            jac(x) -> {ndarray, sparse array}, shape (m, n)
+
+        Default is '2-point'.
+    hess : {callable, '2-point', '3-point', 'cs', HessianUpdateStrategy, None}, optional
+        Method for computing the Hessian matrix. The keywords
+        {'2-point', '3-point', 'cs'} select a finite difference scheme for
+        numerical  estimation.  Alternatively, objects implementing
+        `HessianUpdateStrategy` interface can be used to approximate the
+        Hessian. Currently available implementations are:
+
+        - `BFGS` (default option)
+        - `SR1`
+
+        A callable must return the Hessian matrix of ``dot(fun, v)`` and
+        must have the following signature:
+        ``hess(x, v) -> {LinearOperator, sparse array, array_like}, shape (n, n)``.
+        Here ``v`` is ndarray with shape (m,) containing Lagrange multipliers.
+    keep_feasible : array_like of bool, optional
+        Whether to keep the constraint components feasible throughout
+        iterations. A single value set this property for all components.
+        Default is False. Has no effect for equality constraints.
+    finite_diff_rel_step: None or array_like, optional
+        Relative step size for the finite difference approximation. Default is
+        None, which will select a reasonable value automatically depending
+        on a finite difference scheme.
+    finite_diff_jac_sparsity: {None, array_like, sparse array}, optional
+        Defines the sparsity structure of the Jacobian matrix for finite
+        difference estimation, its shape must be (m, n). If the Jacobian has
+        only few non-zero elements in *each* row, providing the sparsity
+        structure will greatly speed up the computations. A zero entry means
+        that a corresponding element in the Jacobian is identically zero.
+        If provided, forces the use of 'lsmr' trust-region solver.
+        If None (default) then dense differencing will be used.
+
+    Notes
+    -----
+    Finite difference schemes {'2-point', '3-point', 'cs'} may be used for
+    approximating either the Jacobian or the Hessian. We, however, do not allow
+    its use for approximating both simultaneously. Hence whenever the Jacobian
+    is estimated via finite-differences, we require the Hessian to be estimated
+    using one of the quasi-Newton strategies.
+
+    The scheme 'cs' is potentially the most accurate, but requires the function
+    to correctly handles complex inputs and be analytically continuable to the
+    complex plane. The scheme '3-point' is more accurate than '2-point' but
+    requires twice as many operations.
+
+    Examples
+    --------
+    Constrain ``x[0] < sin(x[1]) + 1.9``
+
+    >>> from scipy.optimize import NonlinearConstraint
+    >>> import numpy as np
+    >>> con = lambda x: x[0] - np.sin(x[1])
+    >>> nlc = NonlinearConstraint(con, -np.inf, 1.9)
+
+    """
+    def __init__(self, fun, lb, ub, jac='2-point', hess=None,
+                 keep_feasible=False, finite_diff_rel_step=None,
+                 finite_diff_jac_sparsity=None):
+        if hess is None:
+            hess = BFGS()
+        self.fun = fun
+        self.lb = lb
+        self.ub = ub
+        self.finite_diff_rel_step = finite_diff_rel_step
+        self.finite_diff_jac_sparsity = finite_diff_jac_sparsity
+        self.jac = jac
+        self.hess = hess
+        self.keep_feasible = keep_feasible
+
+
+class LinearConstraint:
+    """Linear constraint on the variables.
+
+    The constraint has the general inequality form::
+
+        lb <= A.dot(x) <= ub
+
+    Here the vector of independent variables x is passed as ndarray of shape
+    (n,) and the matrix A has shape (m, n).
+
+    It is possible to use equal bounds to represent an equality constraint or
+    infinite bounds to represent a one-sided constraint.
+
+    Parameters
+    ----------
+    A : {array_like, sparse array}, shape (m, n)
+        Matrix defining the constraint.
+    lb, ub : dense array_like, optional
+        Lower and upper limits on the constraint. Each array must have the
+        shape (m,) or be a scalar, in the latter case a bound will be the same
+        for all components of the constraint. Use ``np.inf`` with an
+        appropriate sign to specify a one-sided constraint.
+        Set components of `lb` and `ub` equal to represent an equality
+        constraint. Note that you can mix constraints of different types:
+        interval, one-sided or equality, by setting different components of
+        `lb` and `ub` as  necessary. Defaults to ``lb = -np.inf``
+        and ``ub = np.inf`` (no limits).
+    keep_feasible : dense array_like of bool, optional
+        Whether to keep the constraint components feasible throughout
+        iterations. A single value set this property for all components.
+        Default is False. Has no effect for equality constraints.
+    """
+    def _input_validation(self):
+        if self.A.ndim != 2:
+            message = "`A` must have exactly two dimensions."
+            raise ValueError(message)
+
+        try:
+            shape = self.A.shape[0:1]
+            self.lb = np.broadcast_to(self.lb, shape)
+            self.ub = np.broadcast_to(self.ub, shape)
+            self.keep_feasible = np.broadcast_to(self.keep_feasible, shape)
+        except ValueError:
+            message = ("`lb`, `ub`, and `keep_feasible` must be broadcastable "
+                       "to shape `A.shape[0:1]`")
+            raise ValueError(message)
+
+    def __init__(self, A, lb=-np.inf, ub=np.inf, keep_feasible=False):
+        if not issparse(A):
+            # In some cases, if the constraint is not valid, this emits a
+            # VisibleDeprecationWarning about ragged nested sequences
+            # before eventually causing an error. `scipy.optimize.milp` would
+            # prefer that this just error out immediately so it can handle it
+            # rather than concerning the user.
+            with catch_warnings():
+                simplefilter("error")
+                self.A = np.atleast_2d(A).astype(np.float64)
+        else:
+            self.A = A
+        if issparse(lb) or issparse(ub):
+            raise ValueError("Constraint limits must be dense arrays.")
+        self.lb = np.atleast_1d(lb).astype(np.float64)
+        self.ub = np.atleast_1d(ub).astype(np.float64)
+
+        if issparse(keep_feasible):
+            raise ValueError("`keep_feasible` must be a dense array.")
+        self.keep_feasible = np.atleast_1d(keep_feasible).astype(bool)
+        self._input_validation()
+
+    def residual(self, x):
+        """
+        Calculate the residual between the constraint function and the limits
+
+        For a linear constraint of the form::
+
+            lb <= A@x <= ub
+
+        the lower and upper residuals between ``A@x`` and the limits are values
+        ``sl`` and ``sb`` such that::
+
+            lb + sl == A@x == ub - sb
+
+        When all elements of ``sl`` and ``sb`` are positive, all elements of
+        the constraint are satisfied; a negative element in ``sl`` or ``sb``
+        indicates that the corresponding element of the constraint is not
+        satisfied.
+
+        Parameters
+        ----------
+        x: array_like
+            Vector of independent variables
+
+        Returns
+        -------
+        sl, sb : array-like
+            The lower and upper residuals
+        """
+        return self.A@x - self.lb, self.ub - self.A@x
+
+
+class Bounds:
+    """Bounds constraint on the variables.
+
+    The constraint has the general inequality form::
+
+        lb <= x <= ub
+
+    It is possible to use equal bounds to represent an equality constraint or
+    infinite bounds to represent a one-sided constraint.
+
+    Parameters
+    ----------
+    lb, ub : dense array_like, optional
+        Lower and upper bounds on independent variables. `lb`, `ub`, and
+        `keep_feasible` must be the same shape or broadcastable.
+        Set components of `lb` and `ub` equal
+        to fix a variable. Use ``np.inf`` with an appropriate sign to disable
+        bounds on all or some variables. Note that you can mix constraints of
+        different types: interval, one-sided or equality, by setting different
+        components of `lb` and `ub` as necessary. Defaults to ``lb = -np.inf``
+        and ``ub = np.inf`` (no bounds).
+    keep_feasible : dense array_like of bool, optional
+        Whether to keep the constraint components feasible throughout
+        iterations. Must be broadcastable with `lb` and `ub`.
+        Default is False. Has no effect for equality constraints.
+    """
+    def _input_validation(self):
+        try:
+            res = np.broadcast_arrays(self.lb, self.ub, self.keep_feasible)
+            self.lb, self.ub, self.keep_feasible = res
+        except ValueError:
+            message = "`lb`, `ub`, and `keep_feasible` must be broadcastable."
+            raise ValueError(message)
+
+    def __init__(self, lb=-np.inf, ub=np.inf, keep_feasible=False):
+        if issparse(lb) or issparse(ub):
+            raise ValueError("Lower and upper bounds must be dense arrays.")
+        self.lb = np.atleast_1d(lb)
+        self.ub = np.atleast_1d(ub)
+
+        if issparse(keep_feasible):
+            raise ValueError("`keep_feasible` must be a dense array.")
+        self.keep_feasible = np.atleast_1d(keep_feasible).astype(bool)
+        self._input_validation()
+
+    def __repr__(self):
+        start = f"{type(self).__name__}({self.lb!r}, {self.ub!r}"
+        if np.any(self.keep_feasible):
+            end = f", keep_feasible={self.keep_feasible!r})"
+        else:
+            end = ")"
+        return start + end
+
+    def residual(self, x):
+        """Calculate the residual (slack) between the input and the bounds
+
+        For a bound constraint of the form::
+
+            lb <= x <= ub
+
+        the lower and upper residuals between `x` and the bounds are values
+        ``sl`` and ``sb`` such that::
+
+            lb + sl == x == ub - sb
+
+        When all elements of ``sl`` and ``sb`` are positive, all elements of
+        ``x`` lie within the bounds; a negative element in ``sl`` or ``sb``
+        indicates that the corresponding element of ``x`` is out of bounds.
+
+        Parameters
+        ----------
+        x: array_like
+            Vector of independent variables
+
+        Returns
+        -------
+        sl, sb : array-like
+            The lower and upper residuals
+        """
+        return x - self.lb, self.ub - x
+
+
+class PreparedConstraint:
+    """Constraint prepared from a user defined constraint.
+
+    On creation it will check whether a constraint definition is valid and
+    the initial point is feasible. If created successfully, it will contain
+    the attributes listed below.
+
+    Parameters
+    ----------
+    constraint : {NonlinearConstraint, LinearConstraint`, Bounds}
+        Constraint to check and prepare.
+    x0 : array_like
+        Initial vector of independent variables.
+    sparse_jacobian : bool or None, optional
+        If bool, then the Jacobian of the constraint will be converted
+        to the corresponded format if necessary. If None (default), such
+        conversion is not made.
+    finite_diff_bounds : 2-tuple, optional
+        Lower and upper bounds on the independent variables for the finite
+        difference approximation, if applicable. Defaults to no bounds.
+
+    Attributes
+    ----------
+    fun : {VectorFunction, LinearVectorFunction, IdentityVectorFunction}
+        Function defining the constraint wrapped by one of the convenience
+        classes.
+    bounds : 2-tuple
+        Contains lower and upper bounds for the constraints --- lb and ub.
+        These are converted to ndarray and have a size equal to the number of
+        the constraints.
+    keep_feasible : ndarray
+         Array indicating which components must be kept feasible with a size
+         equal to the number of the constraints.
+    """
+    def __init__(self, constraint, x0, sparse_jacobian=None,
+                 finite_diff_bounds=(-np.inf, np.inf)):
+        if isinstance(constraint, NonlinearConstraint):
+            fun = VectorFunction(constraint.fun, x0,
+                                 constraint.jac, constraint.hess,
+                                 constraint.finite_diff_rel_step,
+                                 constraint.finite_diff_jac_sparsity,
+                                 finite_diff_bounds, sparse_jacobian)
+        elif isinstance(constraint, LinearConstraint):
+            fun = LinearVectorFunction(constraint.A, x0, sparse_jacobian)
+        elif isinstance(constraint, Bounds):
+            fun = IdentityVectorFunction(x0, sparse_jacobian)
+        else:
+            raise ValueError("`constraint` of an unknown type is passed.")
+
+        m = fun.m
+
+        lb = np.asarray(constraint.lb, dtype=float)
+        ub = np.asarray(constraint.ub, dtype=float)
+        keep_feasible = np.asarray(constraint.keep_feasible, dtype=bool)
+
+        lb = np.broadcast_to(lb, m)
+        ub = np.broadcast_to(ub, m)
+        keep_feasible = np.broadcast_to(keep_feasible, m)
+
+        if keep_feasible.shape != (m,):
+            raise ValueError("`keep_feasible` has a wrong shape.")
+
+        mask = keep_feasible & (lb != ub)
+        f0 = fun.f
+        if np.any(f0[mask] < lb[mask]) or np.any(f0[mask] > ub[mask]):
+            raise ValueError("`x0` is infeasible with respect to some "
+                             "inequality constraint with `keep_feasible` "
+                             "set to True.")
+
+        self.fun = fun
+        self.bounds = (lb, ub)
+        self.keep_feasible = keep_feasible
+
+    def violation(self, x):
+        """How much the constraint is exceeded by.
+
+        Parameters
+        ----------
+        x : array-like
+            Vector of independent variables
+
+        Returns
+        -------
+        excess : array-like
+            How much the constraint is exceeded by, for each of the
+            constraints specified by `PreparedConstraint.fun`.
+        """
+        with catch_warnings():
+            # Ignore the following warning, it's not important when
+            # figuring out total violation
+            # UserWarning: delta_grad == 0.0. Check if the approximated
+            # function is linear
+            filterwarnings("ignore", "delta_grad", UserWarning)
+            ev = self.fun.fun(np.asarray(x))
+
+        excess_lb = np.maximum(self.bounds[0] - ev, 0)
+        excess_ub = np.maximum(ev - self.bounds[1], 0)
+
+        return excess_lb + excess_ub
+
+
+def new_bounds_to_old(lb, ub, n):
+    """Convert the new bounds representation to the old one.
+
+    The new representation is a tuple (lb, ub) and the old one is a list
+    containing n tuples, ith containing lower and upper bound on a ith
+    variable.
+    If any of the entries in lb/ub are -np.inf/np.inf they are replaced by
+    None.
+    """
+    lb = np.broadcast_to(lb, n)
+    ub = np.broadcast_to(ub, n)
+
+    lb = [float(x) if x > -np.inf else None for x in lb]
+    ub = [float(x) if x < np.inf else None for x in ub]
+
+    return list(zip(lb, ub))
+
+
+def old_bound_to_new(bounds):
+    """Convert the old bounds representation to the new one.
+
+    The new representation is a tuple (lb, ub) and the old one is a list
+    containing n tuples, ith containing lower and upper bound on a ith
+    variable.
+    If any of the entries in lb/ub are None they are replaced by
+    -np.inf/np.inf.
+    """
+    lb, ub = zip(*bounds)
+
+    # Convert occurrences of None to -inf or inf, and replace occurrences of
+    # any numpy array x with x.item(). Then wrap the results in numpy arrays.
+    lb = np.array([float(_arr_to_scalar(x)) if x is not None else -np.inf
+                   for x in lb])
+    ub = np.array([float(_arr_to_scalar(x)) if x is not None else np.inf
+                   for x in ub])
+
+    return lb, ub
+
+
+def strict_bounds(lb, ub, keep_feasible, n_vars):
+    """Remove bounds which are not asked to be kept feasible."""
+    strict_lb = np.resize(lb, n_vars).astype(float)
+    strict_ub = np.resize(ub, n_vars).astype(float)
+    keep_feasible = np.resize(keep_feasible, n_vars)
+    strict_lb[~keep_feasible] = -np.inf
+    strict_ub[~keep_feasible] = np.inf
+    return strict_lb, strict_ub
+
+
+def new_constraint_to_old(con, x0):
+    """
+    Converts new-style constraint objects to old-style constraint dictionaries.
+    """
+    if isinstance(con, NonlinearConstraint):
+        if (con.finite_diff_jac_sparsity is not None or
+                con.finite_diff_rel_step is not None or
+                not isinstance(con.hess, BFGS) or  # misses user specified BFGS
+                con.keep_feasible):
+            warn("Constraint options `finite_diff_jac_sparsity`, "
+                 "`finite_diff_rel_step`, `keep_feasible`, and `hess`"
+                 "are ignored by this method.",
+                 OptimizeWarning, stacklevel=3)
+
+        fun = con.fun
+        if callable(con.jac):
+            jac = con.jac
+        else:
+            jac = None
+
+    else:  # LinearConstraint
+        if np.any(con.keep_feasible):
+            warn("Constraint option `keep_feasible` is ignored by this method.",
+                 OptimizeWarning, stacklevel=3)
+
+        A = con.A
+        if issparse(A):
+            A = A.toarray()
+        def fun(x):
+            return np.dot(A, x)
+        def jac(x):
+            return A
+
+    # FIXME: when bugs in VectorFunction/LinearVectorFunction are worked out,
+    # use pcon.fun.fun and pcon.fun.jac. Until then, get fun/jac above.
+    pcon = PreparedConstraint(con, x0)
+    lb, ub = pcon.bounds
+
+    i_eq = lb == ub
+    i_bound_below = np.logical_xor(lb != -np.inf, i_eq)
+    i_bound_above = np.logical_xor(ub != np.inf, i_eq)
+    i_unbounded = np.logical_and(lb == -np.inf, ub == np.inf)
+
+    if np.any(i_unbounded):
+        warn("At least one constraint is unbounded above and below. Such "
+             "constraints are ignored.",
+             OptimizeWarning, stacklevel=3)
+
+    ceq = []
+    if np.any(i_eq):
+        def f_eq(x):
+            y = np.array(fun(x)).flatten()
+            return y[i_eq] - lb[i_eq]
+        ceq = [{"type": "eq", "fun": f_eq}]
+
+        if jac is not None:
+            def j_eq(x):
+                dy = jac(x)
+                if issparse(dy):
+                    dy = dy.toarray()
+                dy = np.atleast_2d(dy)
+                return dy[i_eq, :]
+            ceq[0]["jac"] = j_eq
+
+    cineq = []
+    n_bound_below = np.sum(i_bound_below)
+    n_bound_above = np.sum(i_bound_above)
+    if n_bound_below + n_bound_above:
+        def f_ineq(x):
+            y = np.zeros(n_bound_below + n_bound_above)
+            y_all = np.array(fun(x)).flatten()
+            y[:n_bound_below] = y_all[i_bound_below] - lb[i_bound_below]
+            y[n_bound_below:] = -(y_all[i_bound_above] - ub[i_bound_above])
+            return y
+        cineq = [{"type": "ineq", "fun": f_ineq}]
+
+        if jac is not None:
+            def j_ineq(x):
+                dy = np.zeros((n_bound_below + n_bound_above, len(x0)))
+                dy_all = jac(x)
+                if issparse(dy_all):
+                    dy_all = dy_all.toarray()
+                dy_all = np.atleast_2d(dy_all)
+                dy[:n_bound_below, :] = dy_all[i_bound_below]
+                dy[n_bound_below:, :] = -dy_all[i_bound_above]
+                return dy
+            cineq[0]["jac"] = j_ineq
+
+    old_constraints = ceq + cineq
+
+    if len(old_constraints) > 1:
+        warn("Equality and inequality constraints are specified in the same "
+             "element of the constraint list. For efficient use with this "
+             "method, equality and inequality constraints should be specified "
+             "in separate elements of the constraint list. ",
+             OptimizeWarning, stacklevel=3)
+    return old_constraints
+
+
+def old_constraint_to_new(ic, con):
+    """
+    Converts old-style constraint dictionaries to new-style constraint objects.
+    """
+    # check type
+    try:
+        ctype = con['type'].lower()
+    except KeyError as e:
+        raise KeyError(f'Constraint {ic} has no type defined.') from e
+    except TypeError as e:
+        raise TypeError(
+            'Constraints must be a sequence of dictionaries.'
+        ) from e
+    except AttributeError as e:
+        raise TypeError("Constraint's type must be a string.") from e
+    else:
+        if ctype not in ['eq', 'ineq']:
+            raise ValueError(f"Unknown constraint type '{con['type']}'.")
+    if 'fun' not in con:
+        raise ValueError(f'Constraint {ic} has no function defined.')
+
+    lb = 0
+    if ctype == 'eq':
+        ub = 0
+    else:
+        ub = np.inf
+
+    jac = '2-point'
+    if 'args' in con:
+        args = con['args']
+        def fun(x):
+            return con["fun"](x, *args)
+        if 'jac' in con:
+            def jac(x):
+                return con["jac"](x, *args)
+    else:
+        fun = con['fun']
+        if 'jac' in con:
+            jac = con['jac']
+
+    return NonlinearConstraint(fun, lb, ub, jac)