Inzynierka/Lib/site-packages/scipy/optimize/_trustregion_constr/qp_subproblem.py
2023-06-02 12:51:02 +02:00

638 lines
22 KiB
Python

"""Equality-constrained quadratic programming solvers."""
from scipy.sparse import (linalg, bmat, csc_matrix)
from math import copysign
import numpy as np
from numpy.linalg import norm
__all__ = [
'eqp_kktfact',
'sphere_intersections',
'box_intersections',
'box_sphere_intersections',
'inside_box_boundaries',
'modified_dogleg',
'projected_cg'
]
# For comparison with the projected CG
def eqp_kktfact(H, c, A, b):
"""Solve equality-constrained quadratic programming (EQP) problem.
Solve ``min 1/2 x.T H x + x.t c`` subject to ``A x + b = 0``
using direct factorization of the KKT system.
Parameters
----------
H : sparse matrix, shape (n, n)
Hessian matrix of the EQP problem.
c : array_like, shape (n,)
Gradient of the quadratic objective function.
A : sparse matrix
Jacobian matrix of the EQP problem.
b : array_like, shape (m,)
Right-hand side of the constraint equation.
Returns
-------
x : array_like, shape (n,)
Solution of the KKT problem.
lagrange_multipliers : ndarray, shape (m,)
Lagrange multipliers of the KKT problem.
"""
n, = np.shape(c) # Number of parameters
m, = np.shape(b) # Number of constraints
# Karush-Kuhn-Tucker matrix of coefficients.
# Defined as in Nocedal/Wright "Numerical
# Optimization" p.452 in Eq. (16.4).
kkt_matrix = csc_matrix(bmat([[H, A.T], [A, None]]))
# Vector of coefficients.
kkt_vec = np.hstack([-c, -b])
# TODO: Use a symmetric indefinite factorization
# to solve the system twice as fast (because
# of the symmetry).
lu = linalg.splu(kkt_matrix)
kkt_sol = lu.solve(kkt_vec)
x = kkt_sol[:n]
lagrange_multipliers = -kkt_sol[n:n+m]
return x, lagrange_multipliers
def sphere_intersections(z, d, trust_radius,
entire_line=False):
"""Find the intersection between segment (or line) and spherical constraints.
Find the intersection between the segment (or line) defined by the
parametric equation ``x(t) = z + t*d`` and the ball
``||x|| <= trust_radius``.
Parameters
----------
z : array_like, shape (n,)
Initial point.
d : array_like, shape (n,)
Direction.
trust_radius : float
Ball radius.
entire_line : bool, optional
When ``True``, the function returns the intersection between the line
``x(t) = z + t*d`` (``t`` can assume any value) and the ball
``||x|| <= trust_radius``. When ``False``, the function returns the intersection
between the segment ``x(t) = z + t*d``, ``0 <= t <= 1``, and the ball.
Returns
-------
ta, tb : float
The line/segment ``x(t) = z + t*d`` is inside the ball for
for ``ta <= t <= tb``.
intersect : bool
When ``True``, there is a intersection between the line/segment
and the sphere. On the other hand, when ``False``, there is no
intersection.
"""
# Special case when d=0
if norm(d) == 0:
return 0, 0, False
# Check for inf trust_radius
if np.isinf(trust_radius):
if entire_line:
ta = -np.inf
tb = np.inf
else:
ta = 0
tb = 1
intersect = True
return ta, tb, intersect
a = np.dot(d, d)
b = 2 * np.dot(z, d)
c = np.dot(z, z) - trust_radius**2
discriminant = b*b - 4*a*c
if discriminant < 0:
intersect = False
return 0, 0, intersect
sqrt_discriminant = np.sqrt(discriminant)
# The following calculation is mathematically
# equivalent to:
# ta = (-b - sqrt_discriminant) / (2*a)
# tb = (-b + sqrt_discriminant) / (2*a)
# but produce smaller round off errors.
# Look at Matrix Computation p.97
# for a better justification.
aux = b + copysign(sqrt_discriminant, b)
ta = -aux / (2*a)
tb = -2*c / aux
ta, tb = sorted([ta, tb])
if entire_line:
intersect = True
else:
# Checks to see if intersection happens
# within vectors length.
if tb < 0 or ta > 1:
intersect = False
ta = 0
tb = 0
else:
intersect = True
# Restrict intersection interval
# between 0 and 1.
ta = max(0, ta)
tb = min(1, tb)
return ta, tb, intersect
def box_intersections(z, d, lb, ub,
entire_line=False):
"""Find the intersection between segment (or line) and box constraints.
Find the intersection between the segment (or line) defined by the
parametric equation ``x(t) = z + t*d`` and the rectangular box
``lb <= x <= ub``.
Parameters
----------
z : array_like, shape (n,)
Initial point.
d : array_like, shape (n,)
Direction.
lb : array_like, shape (n,)
Lower bounds to each one of the components of ``x``. Used
to delimit the rectangular box.
ub : array_like, shape (n, )
Upper bounds to each one of the components of ``x``. Used
to delimit the rectangular box.
entire_line : bool, optional
When ``True``, the function returns the intersection between the line
``x(t) = z + t*d`` (``t`` can assume any value) and the rectangular
box. When ``False``, the function returns the intersection between the segment
``x(t) = z + t*d``, ``0 <= t <= 1``, and the rectangular box.
Returns
-------
ta, tb : float
The line/segment ``x(t) = z + t*d`` is inside the box for
for ``ta <= t <= tb``.
intersect : bool
When ``True``, there is a intersection between the line (or segment)
and the rectangular box. On the other hand, when ``False``, there is no
intersection.
"""
# Make sure it is a numpy array
z = np.asarray(z)
d = np.asarray(d)
lb = np.asarray(lb)
ub = np.asarray(ub)
# Special case when d=0
if norm(d) == 0:
return 0, 0, False
# Get values for which d==0
zero_d = (d == 0)
# If the boundaries are not satisfied for some coordinate
# for which "d" is zero, there is no box-line intersection.
if (z[zero_d] < lb[zero_d]).any() or (z[zero_d] > ub[zero_d]).any():
intersect = False
return 0, 0, intersect
# Remove values for which d is zero
not_zero_d = np.logical_not(zero_d)
z = z[not_zero_d]
d = d[not_zero_d]
lb = lb[not_zero_d]
ub = ub[not_zero_d]
# Find a series of intervals (t_lb[i], t_ub[i]).
t_lb = (lb-z) / d
t_ub = (ub-z) / d
# Get the intersection of all those intervals.
ta = max(np.minimum(t_lb, t_ub))
tb = min(np.maximum(t_lb, t_ub))
# Check if intersection is feasible
if ta <= tb:
intersect = True
else:
intersect = False
# Checks to see if intersection happens within vectors length.
if not entire_line:
if tb < 0 or ta > 1:
intersect = False
ta = 0
tb = 0
else:
# Restrict intersection interval between 0 and 1.
ta = max(0, ta)
tb = min(1, tb)
return ta, tb, intersect
def box_sphere_intersections(z, d, lb, ub, trust_radius,
entire_line=False,
extra_info=False):
"""Find the intersection between segment (or line) and box/sphere constraints.
Find the intersection between the segment (or line) defined by the
parametric equation ``x(t) = z + t*d``, the rectangular box
``lb <= x <= ub`` and the ball ``||x|| <= trust_radius``.
Parameters
----------
z : array_like, shape (n,)
Initial point.
d : array_like, shape (n,)
Direction.
lb : array_like, shape (n,)
Lower bounds to each one of the components of ``x``. Used
to delimit the rectangular box.
ub : array_like, shape (n, )
Upper bounds to each one of the components of ``x``. Used
to delimit the rectangular box.
trust_radius : float
Ball radius.
entire_line : bool, optional
When ``True``, the function returns the intersection between the line
``x(t) = z + t*d`` (``t`` can assume any value) and the constraints.
When ``False``, the function returns the intersection between the segment
``x(t) = z + t*d``, ``0 <= t <= 1`` and the constraints.
extra_info : bool, optional
When ``True``, the function returns ``intersect_sphere`` and ``intersect_box``.
Returns
-------
ta, tb : float
The line/segment ``x(t) = z + t*d`` is inside the rectangular box and
inside the ball for ``ta <= t <= tb``.
intersect : bool
When ``True``, there is a intersection between the line (or segment)
and both constraints. On the other hand, when ``False``, there is no
intersection.
sphere_info : dict, optional
Dictionary ``{ta, tb, intersect}`` containing the interval ``[ta, tb]``
for which the line intercepts the ball. And a boolean value indicating
whether the sphere is intersected by the line.
box_info : dict, optional
Dictionary ``{ta, tb, intersect}`` containing the interval ``[ta, tb]``
for which the line intercepts the box. And a boolean value indicating
whether the box is intersected by the line.
"""
ta_b, tb_b, intersect_b = box_intersections(z, d, lb, ub,
entire_line)
ta_s, tb_s, intersect_s = sphere_intersections(z, d,
trust_radius,
entire_line)
ta = np.maximum(ta_b, ta_s)
tb = np.minimum(tb_b, tb_s)
if intersect_b and intersect_s and ta <= tb:
intersect = True
else:
intersect = False
if extra_info:
sphere_info = {'ta': ta_s, 'tb': tb_s, 'intersect': intersect_s}
box_info = {'ta': ta_b, 'tb': tb_b, 'intersect': intersect_b}
return ta, tb, intersect, sphere_info, box_info
else:
return ta, tb, intersect
def inside_box_boundaries(x, lb, ub):
"""Check if lb <= x <= ub."""
return (lb <= x).all() and (x <= ub).all()
def reinforce_box_boundaries(x, lb, ub):
"""Return clipped value of x"""
return np.minimum(np.maximum(x, lb), ub)
def modified_dogleg(A, Y, b, trust_radius, lb, ub):
"""Approximately minimize ``1/2*|| A x + b ||^2`` inside trust-region.
Approximately solve the problem of minimizing ``1/2*|| A x + b ||^2``
subject to ``||x|| < Delta`` and ``lb <= x <= ub`` using a modification
of the classical dogleg approach.
Parameters
----------
A : LinearOperator (or sparse matrix or ndarray), shape (m, n)
Matrix ``A`` in the minimization problem. It should have
dimension ``(m, n)`` such that ``m < n``.
Y : LinearOperator (or sparse matrix or ndarray), shape (n, m)
LinearOperator that apply the projection matrix
``Q = A.T inv(A A.T)`` to the vector. The obtained vector
``y = Q x`` being the minimum norm solution of ``A y = x``.
b : array_like, shape (m,)
Vector ``b``in the minimization problem.
trust_radius: float
Trust radius to be considered. Delimits a sphere boundary
to the problem.
lb : array_like, shape (n,)
Lower bounds to each one of the components of ``x``.
It is expected that ``lb <= 0``, otherwise the algorithm
may fail. If ``lb[i] = -Inf``, the lower
bound for the ith component is just ignored.
ub : array_like, shape (n, )
Upper bounds to each one of the components of ``x``.
It is expected that ``ub >= 0``, otherwise the algorithm
may fail. If ``ub[i] = Inf``, the upper bound for the ith
component is just ignored.
Returns
-------
x : array_like, shape (n,)
Solution to the problem.
Notes
-----
Based on implementations described in pp. 885-886 from [1]_.
References
----------
.. [1] Byrd, Richard H., Mary E. Hribar, and Jorge Nocedal.
"An interior point algorithm for large-scale nonlinear
programming." SIAM Journal on Optimization 9.4 (1999): 877-900.
"""
# Compute minimum norm minimizer of 1/2*|| A x + b ||^2.
newton_point = -Y.dot(b)
# Check for interior point
if inside_box_boundaries(newton_point, lb, ub) \
and norm(newton_point) <= trust_radius:
x = newton_point
return x
# Compute gradient vector ``g = A.T b``
g = A.T.dot(b)
# Compute Cauchy point
# `cauchy_point = g.T g / (g.T A.T A g)``.
A_g = A.dot(g)
cauchy_point = -np.dot(g, g) / np.dot(A_g, A_g) * g
# Origin
origin_point = np.zeros_like(cauchy_point)
# Check the segment between cauchy_point and newton_point
# for a possible solution.
z = cauchy_point
p = newton_point - cauchy_point
_, alpha, intersect = box_sphere_intersections(z, p, lb, ub,
trust_radius)
if intersect:
x1 = z + alpha*p
else:
# Check the segment between the origin and cauchy_point
# for a possible solution.
z = origin_point
p = cauchy_point
_, alpha, _ = box_sphere_intersections(z, p, lb, ub,
trust_radius)
x1 = z + alpha*p
# Check the segment between origin and newton_point
# for a possible solution.
z = origin_point
p = newton_point
_, alpha, _ = box_sphere_intersections(z, p, lb, ub,
trust_radius)
x2 = z + alpha*p
# Return the best solution among x1 and x2.
if norm(A.dot(x1) + b) < norm(A.dot(x2) + b):
return x1
else:
return x2
def projected_cg(H, c, Z, Y, b, trust_radius=np.inf,
lb=None, ub=None, tol=None,
max_iter=None, max_infeasible_iter=None,
return_all=False):
"""Solve EQP problem with projected CG method.
Solve equality-constrained quadratic programming problem
``min 1/2 x.T H x + x.t c`` subject to ``A x + b = 0`` and,
possibly, to trust region constraints ``||x|| < trust_radius``
and box constraints ``lb <= x <= ub``.
Parameters
----------
H : LinearOperator (or sparse matrix or ndarray), shape (n, n)
Operator for computing ``H v``.
c : array_like, shape (n,)
Gradient of the quadratic objective function.
Z : LinearOperator (or sparse matrix or ndarray), shape (n, n)
Operator for projecting ``x`` into the null space of A.
Y : LinearOperator, sparse matrix, ndarray, shape (n, m)
Operator that, for a given a vector ``b``, compute smallest
norm solution of ``A x + b = 0``.
b : array_like, shape (m,)
Right-hand side of the constraint equation.
trust_radius : float, optional
Trust radius to be considered. By default, uses ``trust_radius=inf``,
which means no trust radius at all.
lb : array_like, shape (n,), optional
Lower bounds to each one of the components of ``x``.
If ``lb[i] = -Inf`` the lower bound for the i-th
component is just ignored (default).
ub : array_like, shape (n, ), optional
Upper bounds to each one of the components of ``x``.
If ``ub[i] = Inf`` the upper bound for the i-th
component is just ignored (default).
tol : float, optional
Tolerance used to interrupt the algorithm.
max_iter : int, optional
Maximum algorithm iterations. Where ``max_inter <= n-m``.
By default, uses ``max_iter = n-m``.
max_infeasible_iter : int, optional
Maximum infeasible (regarding box constraints) iterations the
algorithm is allowed to take.
By default, uses ``max_infeasible_iter = n-m``.
return_all : bool, optional
When ``true``, return the list of all vectors through the iterations.
Returns
-------
x : array_like, shape (n,)
Solution of the EQP problem.
info : Dict
Dictionary containing the following:
- niter : Number of iterations.
- stop_cond : Reason for algorithm termination:
1. Iteration limit was reached;
2. Reached the trust-region boundary;
3. Negative curvature detected;
4. Tolerance was satisfied.
- allvecs : List containing all intermediary vectors (optional).
- hits_boundary : True if the proposed step is on the boundary
of the trust region.
Notes
-----
Implementation of Algorithm 6.2 on [1]_.
In the absence of spherical and box constraints, for sufficient
iterations, the method returns a truly optimal result.
In the presence of those constraints, the value returned is only
a inexpensive approximation of the optimal value.
References
----------
.. [1] Gould, Nicholas IM, Mary E. Hribar, and Jorge Nocedal.
"On the solution of equality constrained quadratic
programming problems arising in optimization."
SIAM Journal on Scientific Computing 23.4 (2001): 1376-1395.
"""
CLOSE_TO_ZERO = 1e-25
n, = np.shape(c) # Number of parameters
m, = np.shape(b) # Number of constraints
# Initial Values
x = Y.dot(-b)
r = Z.dot(H.dot(x) + c)
g = Z.dot(r)
p = -g
# Store ``x`` value
if return_all:
allvecs = [x]
# Values for the first iteration
H_p = H.dot(p)
rt_g = norm(g)**2 # g.T g = r.T Z g = r.T g (ref [1]_ p.1389)
# If x > trust-region the problem does not have a solution.
tr_distance = trust_radius - norm(x)
if tr_distance < 0:
raise ValueError("Trust region problem does not have a solution.")
# If x == trust_radius, then x is the solution
# to the optimization problem, since x is the
# minimum norm solution to Ax=b.
elif tr_distance < CLOSE_TO_ZERO:
info = {'niter': 0, 'stop_cond': 2, 'hits_boundary': True}
if return_all:
allvecs.append(x)
info['allvecs'] = allvecs
return x, info
# Set default tolerance
if tol is None:
tol = max(min(0.01 * np.sqrt(rt_g), 0.1 * rt_g), CLOSE_TO_ZERO)
# Set default lower and upper bounds
if lb is None:
lb = np.full(n, -np.inf)
if ub is None:
ub = np.full(n, np.inf)
# Set maximum iterations
if max_iter is None:
max_iter = n-m
max_iter = min(max_iter, n-m)
# Set maximum infeasible iterations
if max_infeasible_iter is None:
max_infeasible_iter = n-m
hits_boundary = False
stop_cond = 1
counter = 0
last_feasible_x = np.zeros_like(x)
k = 0
for i in range(max_iter):
# Stop criteria - Tolerance : r.T g < tol
if rt_g < tol:
stop_cond = 4
break
k += 1
# Compute curvature
pt_H_p = H_p.dot(p)
# Stop criteria - Negative curvature
if pt_H_p <= 0:
if np.isinf(trust_radius):
raise ValueError("Negative curvature not allowed "
"for unrestricted problems.")
else:
# Find intersection with constraints
_, alpha, intersect = box_sphere_intersections(
x, p, lb, ub, trust_radius, entire_line=True)
# Update solution
if intersect:
x = x + alpha*p
# Reinforce variables are inside box constraints.
# This is only necessary because of roundoff errors.
x = reinforce_box_boundaries(x, lb, ub)
# Attribute information
stop_cond = 3
hits_boundary = True
break
# Get next step
alpha = rt_g / pt_H_p
x_next = x + alpha*p
# Stop criteria - Hits boundary
if np.linalg.norm(x_next) >= trust_radius:
# Find intersection with box constraints
_, theta, intersect = box_sphere_intersections(x, alpha*p, lb, ub,
trust_radius)
# Update solution
if intersect:
x = x + theta*alpha*p
# Reinforce variables are inside box constraints.
# This is only necessary because of roundoff errors.
x = reinforce_box_boundaries(x, lb, ub)
# Attribute information
stop_cond = 2
hits_boundary = True
break
# Check if ``x`` is inside the box and start counter if it is not.
if inside_box_boundaries(x_next, lb, ub):
counter = 0
else:
counter += 1
# Whenever outside box constraints keep looking for intersections.
if counter > 0:
_, theta, intersect = box_sphere_intersections(x, alpha*p, lb, ub,
trust_radius)
if intersect:
last_feasible_x = x + theta*alpha*p
# Reinforce variables are inside box constraints.
# This is only necessary because of roundoff errors.
last_feasible_x = reinforce_box_boundaries(last_feasible_x,
lb, ub)
counter = 0
# Stop after too many infeasible (regarding box constraints) iteration.
if counter > max_infeasible_iter:
break
# Store ``x_next`` value
if return_all:
allvecs.append(x_next)
# Update residual
r_next = r + alpha*H_p
# Project residual g+ = Z r+
g_next = Z.dot(r_next)
# Compute conjugate direction step d
rt_g_next = norm(g_next)**2 # g.T g = r.T g (ref [1]_ p.1389)
beta = rt_g_next / rt_g
p = - g_next + beta*p
# Prepare for next iteration
x = x_next
g = g_next
r = g_next
rt_g = norm(g)**2 # g.T g = r.T Z g = r.T g (ref [1]_ p.1389)
H_p = H.dot(p)
if not inside_box_boundaries(x, lb, ub):
x = last_feasible_x
hits_boundary = True
info = {'niter': k, 'stop_cond': stop_cond,
'hits_boundary': hits_boundary}
if return_all:
info['allvecs'] = allvecs
return x, info