peacock-data-public-datasets-idc-cronscript
/
venv
/lib
/python3.10
/site-packages
/scipy
/integrate
/_bvp.py
"""Boundary value problem solver.""" | |
from warnings import warn | |
import numpy as np | |
from numpy.linalg import pinv | |
from scipy.sparse import coo_matrix, csc_matrix | |
from scipy.sparse.linalg import splu | |
from scipy.optimize import OptimizeResult | |
EPS = np.finfo(float).eps | |
def estimate_fun_jac(fun, x, y, p, f0=None): | |
"""Estimate derivatives of an ODE system rhs with forward differences. | |
Returns | |
------- | |
df_dy : ndarray, shape (n, n, m) | |
Derivatives with respect to y. An element (i, j, q) corresponds to | |
d f_i(x_q, y_q) / d (y_q)_j. | |
df_dp : ndarray with shape (n, k, m) or None | |
Derivatives with respect to p. An element (i, j, q) corresponds to | |
d f_i(x_q, y_q, p) / d p_j. If `p` is empty, None is returned. | |
""" | |
n, m = y.shape | |
if f0 is None: | |
f0 = fun(x, y, p) | |
dtype = y.dtype | |
df_dy = np.empty((n, n, m), dtype=dtype) | |
h = EPS**0.5 * (1 + np.abs(y)) | |
for i in range(n): | |
y_new = y.copy() | |
y_new[i] += h[i] | |
hi = y_new[i] - y[i] | |
f_new = fun(x, y_new, p) | |
df_dy[:, i, :] = (f_new - f0) / hi | |
k = p.shape[0] | |
if k == 0: | |
df_dp = None | |
else: | |
df_dp = np.empty((n, k, m), dtype=dtype) | |
h = EPS**0.5 * (1 + np.abs(p)) | |
for i in range(k): | |
p_new = p.copy() | |
p_new[i] += h[i] | |
hi = p_new[i] - p[i] | |
f_new = fun(x, y, p_new) | |
df_dp[:, i, :] = (f_new - f0) / hi | |
return df_dy, df_dp | |
def estimate_bc_jac(bc, ya, yb, p, bc0=None): | |
"""Estimate derivatives of boundary conditions with forward differences. | |
Returns | |
------- | |
dbc_dya : ndarray, shape (n + k, n) | |
Derivatives with respect to ya. An element (i, j) corresponds to | |
d bc_i / d ya_j. | |
dbc_dyb : ndarray, shape (n + k, n) | |
Derivatives with respect to yb. An element (i, j) corresponds to | |
d bc_i / d ya_j. | |
dbc_dp : ndarray with shape (n + k, k) or None | |
Derivatives with respect to p. An element (i, j) corresponds to | |
d bc_i / d p_j. If `p` is empty, None is returned. | |
""" | |
n = ya.shape[0] | |
k = p.shape[0] | |
if bc0 is None: | |
bc0 = bc(ya, yb, p) | |
dtype = ya.dtype | |
dbc_dya = np.empty((n, n + k), dtype=dtype) | |
h = EPS**0.5 * (1 + np.abs(ya)) | |
for i in range(n): | |
ya_new = ya.copy() | |
ya_new[i] += h[i] | |
hi = ya_new[i] - ya[i] | |
bc_new = bc(ya_new, yb, p) | |
dbc_dya[i] = (bc_new - bc0) / hi | |
dbc_dya = dbc_dya.T | |
h = EPS**0.5 * (1 + np.abs(yb)) | |
dbc_dyb = np.empty((n, n + k), dtype=dtype) | |
for i in range(n): | |
yb_new = yb.copy() | |
yb_new[i] += h[i] | |
hi = yb_new[i] - yb[i] | |
bc_new = bc(ya, yb_new, p) | |
dbc_dyb[i] = (bc_new - bc0) / hi | |
dbc_dyb = dbc_dyb.T | |
if k == 0: | |
dbc_dp = None | |
else: | |
h = EPS**0.5 * (1 + np.abs(p)) | |
dbc_dp = np.empty((k, n + k), dtype=dtype) | |
for i in range(k): | |
p_new = p.copy() | |
p_new[i] += h[i] | |
hi = p_new[i] - p[i] | |
bc_new = bc(ya, yb, p_new) | |
dbc_dp[i] = (bc_new - bc0) / hi | |
dbc_dp = dbc_dp.T | |
return dbc_dya, dbc_dyb, dbc_dp | |
def compute_jac_indices(n, m, k): | |
"""Compute indices for the collocation system Jacobian construction. | |
See `construct_global_jac` for the explanation. | |
""" | |
i_col = np.repeat(np.arange((m - 1) * n), n) | |
j_col = (np.tile(np.arange(n), n * (m - 1)) + | |
np.repeat(np.arange(m - 1) * n, n**2)) | |
i_bc = np.repeat(np.arange((m - 1) * n, m * n + k), n) | |
j_bc = np.tile(np.arange(n), n + k) | |
i_p_col = np.repeat(np.arange((m - 1) * n), k) | |
j_p_col = np.tile(np.arange(m * n, m * n + k), (m - 1) * n) | |
i_p_bc = np.repeat(np.arange((m - 1) * n, m * n + k), k) | |
j_p_bc = np.tile(np.arange(m * n, m * n + k), n + k) | |
i = np.hstack((i_col, i_col, i_bc, i_bc, i_p_col, i_p_bc)) | |
j = np.hstack((j_col, j_col + n, | |
j_bc, j_bc + (m - 1) * n, | |
j_p_col, j_p_bc)) | |
return i, j | |
def stacked_matmul(a, b): | |
"""Stacked matrix multiply: out[i,:,:] = np.dot(a[i,:,:], b[i,:,:]). | |
Empirical optimization. Use outer Python loop and BLAS for large | |
matrices, otherwise use a single einsum call. | |
""" | |
if a.shape[1] > 50: | |
out = np.empty((a.shape[0], a.shape[1], b.shape[2])) | |
for i in range(a.shape[0]): | |
out[i] = np.dot(a[i], b[i]) | |
return out | |
else: | |
return np.einsum('...ij,...jk->...ik', a, b) | |
def construct_global_jac(n, m, k, i_jac, j_jac, h, df_dy, df_dy_middle, df_dp, | |
df_dp_middle, dbc_dya, dbc_dyb, dbc_dp): | |
"""Construct the Jacobian of the collocation system. | |
There are n * m + k functions: m - 1 collocations residuals, each | |
containing n components, followed by n + k boundary condition residuals. | |
There are n * m + k variables: m vectors of y, each containing n | |
components, followed by k values of vector p. | |
For example, let m = 4, n = 2 and k = 1, then the Jacobian will have | |
the following sparsity structure: | |
1 1 2 2 0 0 0 0 5 | |
1 1 2 2 0 0 0 0 5 | |
0 0 1 1 2 2 0 0 5 | |
0 0 1 1 2 2 0 0 5 | |
0 0 0 0 1 1 2 2 5 | |
0 0 0 0 1 1 2 2 5 | |
3 3 0 0 0 0 4 4 6 | |
3 3 0 0 0 0 4 4 6 | |
3 3 0 0 0 0 4 4 6 | |
Zeros denote identically zero values, other values denote different kinds | |
of blocks in the matrix (see below). The blank row indicates the separation | |
of collocation residuals from boundary conditions. And the blank column | |
indicates the separation of y values from p values. | |
Refer to [1]_ (p. 306) for the formula of n x n blocks for derivatives | |
of collocation residuals with respect to y. | |
Parameters | |
---------- | |
n : int | |
Number of equations in the ODE system. | |
m : int | |
Number of nodes in the mesh. | |
k : int | |
Number of the unknown parameters. | |
i_jac, j_jac : ndarray | |
Row and column indices returned by `compute_jac_indices`. They | |
represent different blocks in the Jacobian matrix in the following | |
order (see the scheme above): | |
* 1: m - 1 diagonal n x n blocks for the collocation residuals. | |
* 2: m - 1 off-diagonal n x n blocks for the collocation residuals. | |
* 3 : (n + k) x n block for the dependency of the boundary | |
conditions on ya. | |
* 4: (n + k) x n block for the dependency of the boundary | |
conditions on yb. | |
* 5: (m - 1) * n x k block for the dependency of the collocation | |
residuals on p. | |
* 6: (n + k) x k block for the dependency of the boundary | |
conditions on p. | |
df_dy : ndarray, shape (n, n, m) | |
Jacobian of f with respect to y computed at the mesh nodes. | |
df_dy_middle : ndarray, shape (n, n, m - 1) | |
Jacobian of f with respect to y computed at the middle between the | |
mesh nodes. | |
df_dp : ndarray with shape (n, k, m) or None | |
Jacobian of f with respect to p computed at the mesh nodes. | |
df_dp_middle : ndarray with shape (n, k, m - 1) or None | |
Jacobian of f with respect to p computed at the middle between the | |
mesh nodes. | |
dbc_dya, dbc_dyb : ndarray, shape (n, n) | |
Jacobian of bc with respect to ya and yb. | |
dbc_dp : ndarray with shape (n, k) or None | |
Jacobian of bc with respect to p. | |
Returns | |
------- | |
J : csc_matrix, shape (n * m + k, n * m + k) | |
Jacobian of the collocation system in a sparse form. | |
References | |
---------- | |
.. [1] J. Kierzenka, L. F. Shampine, "A BVP Solver Based on Residual | |
Control and the Maltab PSE", ACM Trans. Math. Softw., Vol. 27, | |
Number 3, pp. 299-316, 2001. | |
""" | |
df_dy = np.transpose(df_dy, (2, 0, 1)) | |
df_dy_middle = np.transpose(df_dy_middle, (2, 0, 1)) | |
h = h[:, np.newaxis, np.newaxis] | |
dtype = df_dy.dtype | |
# Computing diagonal n x n blocks. | |
dPhi_dy_0 = np.empty((m - 1, n, n), dtype=dtype) | |
dPhi_dy_0[:] = -np.identity(n) | |
dPhi_dy_0 -= h / 6 * (df_dy[:-1] + 2 * df_dy_middle) | |
T = stacked_matmul(df_dy_middle, df_dy[:-1]) | |
dPhi_dy_0 -= h**2 / 12 * T | |
# Computing off-diagonal n x n blocks. | |
dPhi_dy_1 = np.empty((m - 1, n, n), dtype=dtype) | |
dPhi_dy_1[:] = np.identity(n) | |
dPhi_dy_1 -= h / 6 * (df_dy[1:] + 2 * df_dy_middle) | |
T = stacked_matmul(df_dy_middle, df_dy[1:]) | |
dPhi_dy_1 += h**2 / 12 * T | |
values = np.hstack((dPhi_dy_0.ravel(), dPhi_dy_1.ravel(), dbc_dya.ravel(), | |
dbc_dyb.ravel())) | |
if k > 0: | |
df_dp = np.transpose(df_dp, (2, 0, 1)) | |
df_dp_middle = np.transpose(df_dp_middle, (2, 0, 1)) | |
T = stacked_matmul(df_dy_middle, df_dp[:-1] - df_dp[1:]) | |
df_dp_middle += 0.125 * h * T | |
dPhi_dp = -h/6 * (df_dp[:-1] + df_dp[1:] + 4 * df_dp_middle) | |
values = np.hstack((values, dPhi_dp.ravel(), dbc_dp.ravel())) | |
J = coo_matrix((values, (i_jac, j_jac))) | |
return csc_matrix(J) | |
def collocation_fun(fun, y, p, x, h): | |
"""Evaluate collocation residuals. | |
This function lies in the core of the method. The solution is sought | |
as a cubic C1 continuous spline with derivatives matching the ODE rhs | |
at given nodes `x`. Collocation conditions are formed from the equality | |
of the spline derivatives and rhs of the ODE system in the middle points | |
between nodes. | |
Such method is classified to Lobbato IIIA family in ODE literature. | |
Refer to [1]_ for the formula and some discussion. | |
Returns | |
------- | |
col_res : ndarray, shape (n, m - 1) | |
Collocation residuals at the middle points of the mesh intervals. | |
y_middle : ndarray, shape (n, m - 1) | |
Values of the cubic spline evaluated at the middle points of the mesh | |
intervals. | |
f : ndarray, shape (n, m) | |
RHS of the ODE system evaluated at the mesh nodes. | |
f_middle : ndarray, shape (n, m - 1) | |
RHS of the ODE system evaluated at the middle points of the mesh | |
intervals (and using `y_middle`). | |
References | |
---------- | |
.. [1] J. Kierzenka, L. F. Shampine, "A BVP Solver Based on Residual | |
Control and the Maltab PSE", ACM Trans. Math. Softw., Vol. 27, | |
Number 3, pp. 299-316, 2001. | |
""" | |
f = fun(x, y, p) | |
y_middle = (0.5 * (y[:, 1:] + y[:, :-1]) - | |
0.125 * h * (f[:, 1:] - f[:, :-1])) | |
f_middle = fun(x[:-1] + 0.5 * h, y_middle, p) | |
col_res = y[:, 1:] - y[:, :-1] - h / 6 * (f[:, :-1] + f[:, 1:] + | |
4 * f_middle) | |
return col_res, y_middle, f, f_middle | |
def prepare_sys(n, m, k, fun, bc, fun_jac, bc_jac, x, h): | |
"""Create the function and the Jacobian for the collocation system.""" | |
x_middle = x[:-1] + 0.5 * h | |
i_jac, j_jac = compute_jac_indices(n, m, k) | |
def col_fun(y, p): | |
return collocation_fun(fun, y, p, x, h) | |
def sys_jac(y, p, y_middle, f, f_middle, bc0): | |
if fun_jac is None: | |
df_dy, df_dp = estimate_fun_jac(fun, x, y, p, f) | |
df_dy_middle, df_dp_middle = estimate_fun_jac( | |
fun, x_middle, y_middle, p, f_middle) | |
else: | |
df_dy, df_dp = fun_jac(x, y, p) | |
df_dy_middle, df_dp_middle = fun_jac(x_middle, y_middle, p) | |
if bc_jac is None: | |
dbc_dya, dbc_dyb, dbc_dp = estimate_bc_jac(bc, y[:, 0], y[:, -1], | |
p, bc0) | |
else: | |
dbc_dya, dbc_dyb, dbc_dp = bc_jac(y[:, 0], y[:, -1], p) | |
return construct_global_jac(n, m, k, i_jac, j_jac, h, df_dy, | |
df_dy_middle, df_dp, df_dp_middle, dbc_dya, | |
dbc_dyb, dbc_dp) | |
return col_fun, sys_jac | |
def solve_newton(n, m, h, col_fun, bc, jac, y, p, B, bvp_tol, bc_tol): | |
"""Solve the nonlinear collocation system by a Newton method. | |
This is a simple Newton method with a backtracking line search. As | |
advised in [1]_, an affine-invariant criterion function F = ||J^-1 r||^2 | |
is used, where J is the Jacobian matrix at the current iteration and r is | |
the vector or collocation residuals (values of the system lhs). | |
The method alters between full Newton iterations and the fixed-Jacobian | |
iterations based | |
There are other tricks proposed in [1]_, but they are not used as they | |
don't seem to improve anything significantly, and even break the | |
convergence on some test problems I tried. | |
All important parameters of the algorithm are defined inside the function. | |
Parameters | |
---------- | |
n : int | |
Number of equations in the ODE system. | |
m : int | |
Number of nodes in the mesh. | |
h : ndarray, shape (m-1,) | |
Mesh intervals. | |
col_fun : callable | |
Function computing collocation residuals. | |
bc : callable | |
Function computing boundary condition residuals. | |
jac : callable | |
Function computing the Jacobian of the whole system (including | |
collocation and boundary condition residuals). It is supposed to | |
return csc_matrix. | |
y : ndarray, shape (n, m) | |
Initial guess for the function values at the mesh nodes. | |
p : ndarray, shape (k,) | |
Initial guess for the unknown parameters. | |
B : ndarray with shape (n, n) or None | |
Matrix to force the S y(a) = 0 condition for a problems with the | |
singular term. If None, the singular term is assumed to be absent. | |
bvp_tol : float | |
Tolerance to which we want to solve a BVP. | |
bc_tol : float | |
Tolerance to which we want to satisfy the boundary conditions. | |
Returns | |
------- | |
y : ndarray, shape (n, m) | |
Final iterate for the function values at the mesh nodes. | |
p : ndarray, shape (k,) | |
Final iterate for the unknown parameters. | |
singular : bool | |
True, if the LU decomposition failed because Jacobian turned out | |
to be singular. | |
References | |
---------- | |
.. [1] U. Ascher, R. Mattheij and R. Russell "Numerical Solution of | |
Boundary Value Problems for Ordinary Differential Equations" | |
""" | |
# We know that the solution residuals at the middle points of the mesh | |
# are connected with collocation residuals r_middle = 1.5 * col_res / h. | |
# As our BVP solver tries to decrease relative residuals below a certain | |
# tolerance, it seems reasonable to terminated Newton iterations by | |
# comparison of r_middle / (1 + np.abs(f_middle)) with a certain threshold, | |
# which we choose to be 1.5 orders lower than the BVP tolerance. We rewrite | |
# the condition as col_res < tol_r * (1 + np.abs(f_middle)), then tol_r | |
# should be computed as follows: | |
tol_r = 2/3 * h * 5e-2 * bvp_tol | |
# Maximum allowed number of Jacobian evaluation and factorization, in | |
# other words, the maximum number of full Newton iterations. A small value | |
# is recommended in the literature. | |
max_njev = 4 | |
# Maximum number of iterations, considering that some of them can be | |
# performed with the fixed Jacobian. In theory, such iterations are cheap, | |
# but it's not that simple in Python. | |
max_iter = 8 | |
# Minimum relative improvement of the criterion function to accept the | |
# step (Armijo constant). | |
sigma = 0.2 | |
# Step size decrease factor for backtracking. | |
tau = 0.5 | |
# Maximum number of backtracking steps, the minimum step is then | |
# tau ** n_trial. | |
n_trial = 4 | |
col_res, y_middle, f, f_middle = col_fun(y, p) | |
bc_res = bc(y[:, 0], y[:, -1], p) | |
res = np.hstack((col_res.ravel(order='F'), bc_res)) | |
njev = 0 | |
singular = False | |
recompute_jac = True | |
for iteration in range(max_iter): | |
if recompute_jac: | |
J = jac(y, p, y_middle, f, f_middle, bc_res) | |
njev += 1 | |
try: | |
LU = splu(J) | |
except RuntimeError: | |
singular = True | |
break | |
step = LU.solve(res) | |
cost = np.dot(step, step) | |
y_step = step[:m * n].reshape((n, m), order='F') | |
p_step = step[m * n:] | |
alpha = 1 | |
for trial in range(n_trial + 1): | |
y_new = y - alpha * y_step | |
if B is not None: | |
y_new[:, 0] = np.dot(B, y_new[:, 0]) | |
p_new = p - alpha * p_step | |
col_res, y_middle, f, f_middle = col_fun(y_new, p_new) | |
bc_res = bc(y_new[:, 0], y_new[:, -1], p_new) | |
res = np.hstack((col_res.ravel(order='F'), bc_res)) | |
step_new = LU.solve(res) | |
cost_new = np.dot(step_new, step_new) | |
if cost_new < (1 - 2 * alpha * sigma) * cost: | |
break | |
if trial < n_trial: | |
alpha *= tau | |
y = y_new | |
p = p_new | |
if njev == max_njev: | |
break | |
if (np.all(np.abs(col_res) < tol_r * (1 + np.abs(f_middle))) and | |
np.all(np.abs(bc_res) < bc_tol)): | |
break | |
# If the full step was taken, then we are going to continue with | |
# the same Jacobian. This is the approach of BVP_SOLVER. | |
if alpha == 1: | |
step = step_new | |
cost = cost_new | |
recompute_jac = False | |
else: | |
recompute_jac = True | |
return y, p, singular | |
def print_iteration_header(): | |
print("{:^15}{:^15}{:^15}{:^15}{:^15}".format( | |
"Iteration", "Max residual", "Max BC residual", "Total nodes", | |
"Nodes added")) | |
def print_iteration_progress(iteration, residual, bc_residual, total_nodes, | |
nodes_added): | |
print("{:^15}{:^15.2e}{:^15.2e}{:^15}{:^15}".format( | |
iteration, residual, bc_residual, total_nodes, nodes_added)) | |
class BVPResult(OptimizeResult): | |
pass | |
TERMINATION_MESSAGES = { | |
0: "The algorithm converged to the desired accuracy.", | |
1: "The maximum number of mesh nodes is exceeded.", | |
2: "A singular Jacobian encountered when solving the collocation system.", | |
3: "The solver was unable to satisfy boundary conditions tolerance on iteration 10." | |
} | |
def estimate_rms_residuals(fun, sol, x, h, p, r_middle, f_middle): | |
"""Estimate rms values of collocation residuals using Lobatto quadrature. | |
The residuals are defined as the difference between the derivatives of | |
our solution and rhs of the ODE system. We use relative residuals, i.e., | |
normalized by 1 + np.abs(f). RMS values are computed as sqrt from the | |
normalized integrals of the squared relative residuals over each interval. | |
Integrals are estimated using 5-point Lobatto quadrature [1]_, we use the | |
fact that residuals at the mesh nodes are identically zero. | |
In [2] they don't normalize integrals by interval lengths, which gives | |
a higher rate of convergence of the residuals by the factor of h**0.5. | |
I chose to do such normalization for an ease of interpretation of return | |
values as RMS estimates. | |
Returns | |
------- | |
rms_res : ndarray, shape (m - 1,) | |
Estimated rms values of the relative residuals over each interval. | |
References | |
---------- | |
.. [1] http://mathworld.wolfram.com/LobattoQuadrature.html | |
.. [2] J. Kierzenka, L. F. Shampine, "A BVP Solver Based on Residual | |
Control and the Maltab PSE", ACM Trans. Math. Softw., Vol. 27, | |
Number 3, pp. 299-316, 2001. | |
""" | |
x_middle = x[:-1] + 0.5 * h | |
s = 0.5 * h * (3/7)**0.5 | |
x1 = x_middle + s | |
x2 = x_middle - s | |
y1 = sol(x1) | |
y2 = sol(x2) | |
y1_prime = sol(x1, 1) | |
y2_prime = sol(x2, 1) | |
f1 = fun(x1, y1, p) | |
f2 = fun(x2, y2, p) | |
r1 = y1_prime - f1 | |
r2 = y2_prime - f2 | |
r_middle /= 1 + np.abs(f_middle) | |
r1 /= 1 + np.abs(f1) | |
r2 /= 1 + np.abs(f2) | |
r1 = np.sum(np.real(r1 * np.conj(r1)), axis=0) | |
r2 = np.sum(np.real(r2 * np.conj(r2)), axis=0) | |
r_middle = np.sum(np.real(r_middle * np.conj(r_middle)), axis=0) | |
return (0.5 * (32 / 45 * r_middle + 49 / 90 * (r1 + r2))) ** 0.5 | |
def create_spline(y, yp, x, h): | |
"""Create a cubic spline given values and derivatives. | |
Formulas for the coefficients are taken from interpolate.CubicSpline. | |
Returns | |
------- | |
sol : PPoly | |
Constructed spline as a PPoly instance. | |
""" | |
from scipy.interpolate import PPoly | |
n, m = y.shape | |
c = np.empty((4, n, m - 1), dtype=y.dtype) | |
slope = (y[:, 1:] - y[:, :-1]) / h | |
t = (yp[:, :-1] + yp[:, 1:] - 2 * slope) / h | |
c[0] = t / h | |
c[1] = (slope - yp[:, :-1]) / h - t | |
c[2] = yp[:, :-1] | |
c[3] = y[:, :-1] | |
c = np.moveaxis(c, 1, 0) | |
return PPoly(c, x, extrapolate=True, axis=1) | |
def modify_mesh(x, insert_1, insert_2): | |
"""Insert nodes into a mesh. | |
Nodes removal logic is not established, its impact on the solver is | |
presumably negligible. So, only insertion is done in this function. | |
Parameters | |
---------- | |
x : ndarray, shape (m,) | |
Mesh nodes. | |
insert_1 : ndarray | |
Intervals to each insert 1 new node in the middle. | |
insert_2 : ndarray | |
Intervals to each insert 2 new nodes, such that divide an interval | |
into 3 equal parts. | |
Returns | |
------- | |
x_new : ndarray | |
New mesh nodes. | |
Notes | |
----- | |
`insert_1` and `insert_2` should not have common values. | |
""" | |
# Because np.insert implementation apparently varies with a version of | |
# NumPy, we use a simple and reliable approach with sorting. | |
return np.sort(np.hstack(( | |
x, | |
0.5 * (x[insert_1] + x[insert_1 + 1]), | |
(2 * x[insert_2] + x[insert_2 + 1]) / 3, | |
(x[insert_2] + 2 * x[insert_2 + 1]) / 3 | |
))) | |
def wrap_functions(fun, bc, fun_jac, bc_jac, k, a, S, D, dtype): | |
"""Wrap functions for unified usage in the solver.""" | |
if fun_jac is None: | |
fun_jac_wrapped = None | |
if bc_jac is None: | |
bc_jac_wrapped = None | |
if k == 0: | |
def fun_p(x, y, _): | |
return np.asarray(fun(x, y), dtype) | |
def bc_wrapped(ya, yb, _): | |
return np.asarray(bc(ya, yb), dtype) | |
if fun_jac is not None: | |
def fun_jac_p(x, y, _): | |
return np.asarray(fun_jac(x, y), dtype), None | |
if bc_jac is not None: | |
def bc_jac_wrapped(ya, yb, _): | |
dbc_dya, dbc_dyb = bc_jac(ya, yb) | |
return (np.asarray(dbc_dya, dtype), | |
np.asarray(dbc_dyb, dtype), None) | |
else: | |
def fun_p(x, y, p): | |
return np.asarray(fun(x, y, p), dtype) | |
def bc_wrapped(x, y, p): | |
return np.asarray(bc(x, y, p), dtype) | |
if fun_jac is not None: | |
def fun_jac_p(x, y, p): | |
df_dy, df_dp = fun_jac(x, y, p) | |
return np.asarray(df_dy, dtype), np.asarray(df_dp, dtype) | |
if bc_jac is not None: | |
def bc_jac_wrapped(ya, yb, p): | |
dbc_dya, dbc_dyb, dbc_dp = bc_jac(ya, yb, p) | |
return (np.asarray(dbc_dya, dtype), np.asarray(dbc_dyb, dtype), | |
np.asarray(dbc_dp, dtype)) | |
if S is None: | |
fun_wrapped = fun_p | |
else: | |
def fun_wrapped(x, y, p): | |
f = fun_p(x, y, p) | |
if x[0] == a: | |
f[:, 0] = np.dot(D, f[:, 0]) | |
f[:, 1:] += np.dot(S, y[:, 1:]) / (x[1:] - a) | |
else: | |
f += np.dot(S, y) / (x - a) | |
return f | |
if fun_jac is not None: | |
if S is None: | |
fun_jac_wrapped = fun_jac_p | |
else: | |
Sr = S[:, :, np.newaxis] | |
def fun_jac_wrapped(x, y, p): | |
df_dy, df_dp = fun_jac_p(x, y, p) | |
if x[0] == a: | |
df_dy[:, :, 0] = np.dot(D, df_dy[:, :, 0]) | |
df_dy[:, :, 1:] += Sr / (x[1:] - a) | |
else: | |
df_dy += Sr / (x - a) | |
return df_dy, df_dp | |
return fun_wrapped, bc_wrapped, fun_jac_wrapped, bc_jac_wrapped | |
def solve_bvp(fun, bc, x, y, p=None, S=None, fun_jac=None, bc_jac=None, | |
tol=1e-3, max_nodes=1000, verbose=0, bc_tol=None): | |
"""Solve a boundary value problem for a system of ODEs. | |
This function numerically solves a first order system of ODEs subject to | |
two-point boundary conditions:: | |
dy / dx = f(x, y, p) + S * y / (x - a), a <= x <= b | |
bc(y(a), y(b), p) = 0 | |
Here x is a 1-D independent variable, y(x) is an N-D | |
vector-valued function and p is a k-D vector of unknown | |
parameters which is to be found along with y(x). For the problem to be | |
determined, there must be n + k boundary conditions, i.e., bc must be an | |
(n + k)-D function. | |
The last singular term on the right-hand side of the system is optional. | |
It is defined by an n-by-n matrix S, such that the solution must satisfy | |
S y(a) = 0. This condition will be forced during iterations, so it must not | |
contradict boundary conditions. See [2]_ for the explanation how this term | |
is handled when solving BVPs numerically. | |
Problems in a complex domain can be solved as well. In this case, y and p | |
are considered to be complex, and f and bc are assumed to be complex-valued | |
functions, but x stays real. Note that f and bc must be complex | |
differentiable (satisfy Cauchy-Riemann equations [4]_), otherwise you | |
should rewrite your problem for real and imaginary parts separately. To | |
solve a problem in a complex domain, pass an initial guess for y with a | |
complex data type (see below). | |
Parameters | |
---------- | |
fun : callable | |
Right-hand side of the system. The calling signature is ``fun(x, y)``, | |
or ``fun(x, y, p)`` if parameters are present. All arguments are | |
ndarray: ``x`` with shape (m,), ``y`` with shape (n, m), meaning that | |
``y[:, i]`` corresponds to ``x[i]``, and ``p`` with shape (k,). The | |
return value must be an array with shape (n, m) and with the same | |
layout as ``y``. | |
bc : callable | |
Function evaluating residuals of the boundary conditions. The calling | |
signature is ``bc(ya, yb)``, or ``bc(ya, yb, p)`` if parameters are | |
present. All arguments are ndarray: ``ya`` and ``yb`` with shape (n,), | |
and ``p`` with shape (k,). The return value must be an array with | |
shape (n + k,). | |
x : array_like, shape (m,) | |
Initial mesh. Must be a strictly increasing sequence of real numbers | |
with ``x[0]=a`` and ``x[-1]=b``. | |
y : array_like, shape (n, m) | |
Initial guess for the function values at the mesh nodes, ith column | |
corresponds to ``x[i]``. For problems in a complex domain pass `y` | |
with a complex data type (even if the initial guess is purely real). | |
p : array_like with shape (k,) or None, optional | |
Initial guess for the unknown parameters. If None (default), it is | |
assumed that the problem doesn't depend on any parameters. | |
S : array_like with shape (n, n) or None | |
Matrix defining the singular term. If None (default), the problem is | |
solved without the singular term. | |
fun_jac : callable or None, optional | |
Function computing derivatives of f with respect to y and p. The | |
calling signature is ``fun_jac(x, y)``, or ``fun_jac(x, y, p)`` if | |
parameters are present. The return must contain 1 or 2 elements in the | |
following order: | |
* df_dy : array_like with shape (n, n, m), where an element | |
(i, j, q) equals to d f_i(x_q, y_q, p) / d (y_q)_j. | |
* df_dp : array_like with shape (n, k, m), where an element | |
(i, j, q) equals to d f_i(x_q, y_q, p) / d p_j. | |
Here q numbers nodes at which x and y are defined, whereas i and j | |
number vector components. If the problem is solved without unknown | |
parameters, df_dp should not be returned. | |
If `fun_jac` is None (default), the derivatives will be estimated | |
by the forward finite differences. | |
bc_jac : callable or None, optional | |
Function computing derivatives of bc with respect to ya, yb, and p. | |
The calling signature is ``bc_jac(ya, yb)``, or ``bc_jac(ya, yb, p)`` | |
if parameters are present. The return must contain 2 or 3 elements in | |
the following order: | |
* dbc_dya : array_like with shape (n, n), where an element (i, j) | |
equals to d bc_i(ya, yb, p) / d ya_j. | |
* dbc_dyb : array_like with shape (n, n), where an element (i, j) | |
equals to d bc_i(ya, yb, p) / d yb_j. | |
* dbc_dp : array_like with shape (n, k), where an element (i, j) | |
equals to d bc_i(ya, yb, p) / d p_j. | |
If the problem is solved without unknown parameters, dbc_dp should not | |
be returned. | |
If `bc_jac` is None (default), the derivatives will be estimated by | |
the forward finite differences. | |
tol : float, optional | |
Desired tolerance of the solution. If we define ``r = y' - f(x, y)``, | |
where y is the found solution, then the solver tries to achieve on each | |
mesh interval ``norm(r / (1 + abs(f)) < tol``, where ``norm`` is | |
estimated in a root mean squared sense (using a numerical quadrature | |
formula). Default is 1e-3. | |
max_nodes : int, optional | |
Maximum allowed number of the mesh nodes. If exceeded, the algorithm | |
terminates. Default is 1000. | |
verbose : {0, 1, 2}, optional | |
Level of algorithm's verbosity: | |
* 0 (default) : work silently. | |
* 1 : display a termination report. | |
* 2 : display progress during iterations. | |
bc_tol : float, optional | |
Desired absolute tolerance for the boundary condition residuals: `bc` | |
value should satisfy ``abs(bc) < bc_tol`` component-wise. | |
Equals to `tol` by default. Up to 10 iterations are allowed to achieve this | |
tolerance. | |
Returns | |
------- | |
Bunch object with the following fields defined: | |
sol : PPoly | |
Found solution for y as `scipy.interpolate.PPoly` instance, a C1 | |
continuous cubic spline. | |
p : ndarray or None, shape (k,) | |
Found parameters. None, if the parameters were not present in the | |
problem. | |
x : ndarray, shape (m,) | |
Nodes of the final mesh. | |
y : ndarray, shape (n, m) | |
Solution values at the mesh nodes. | |
yp : ndarray, shape (n, m) | |
Solution derivatives at the mesh nodes. | |
rms_residuals : ndarray, shape (m - 1,) | |
RMS values of the relative residuals over each mesh interval (see the | |
description of `tol` parameter). | |
niter : int | |
Number of completed iterations. | |
status : int | |
Reason for algorithm termination: | |
* 0: The algorithm converged to the desired accuracy. | |
* 1: The maximum number of mesh nodes is exceeded. | |
* 2: A singular Jacobian encountered when solving the collocation | |
system. | |
message : string | |
Verbal description of the termination reason. | |
success : bool | |
True if the algorithm converged to the desired accuracy (``status=0``). | |
Notes | |
----- | |
This function implements a 4th order collocation algorithm with the | |
control of residuals similar to [1]_. A collocation system is solved | |
by a damped Newton method with an affine-invariant criterion function as | |
described in [3]_. | |
Note that in [1]_ integral residuals are defined without normalization | |
by interval lengths. So, their definition is different by a multiplier of | |
h**0.5 (h is an interval length) from the definition used here. | |
.. versionadded:: 0.18.0 | |
References | |
---------- | |
.. [1] J. Kierzenka, L. F. Shampine, "A BVP Solver Based on Residual | |
Control and the Maltab PSE", ACM Trans. Math. Softw., Vol. 27, | |
Number 3, pp. 299-316, 2001. | |
.. [2] L.F. Shampine, P. H. Muir and H. Xu, "A User-Friendly Fortran BVP | |
Solver". | |
.. [3] U. Ascher, R. Mattheij and R. Russell "Numerical Solution of | |
Boundary Value Problems for Ordinary Differential Equations". | |
.. [4] `Cauchy-Riemann equations | |
<https://en.wikipedia.org/wiki/Cauchy-Riemann_equations>`_ on | |
Wikipedia. | |
Examples | |
-------- | |
In the first example, we solve Bratu's problem:: | |
y'' + k * exp(y) = 0 | |
y(0) = y(1) = 0 | |
for k = 1. | |
We rewrite the equation as a first-order system and implement its | |
right-hand side evaluation:: | |
y1' = y2 | |
y2' = -exp(y1) | |
>>> import numpy as np | |
>>> def fun(x, y): | |
... return np.vstack((y[1], -np.exp(y[0]))) | |
Implement evaluation of the boundary condition residuals: | |
>>> def bc(ya, yb): | |
... return np.array([ya[0], yb[0]]) | |
Define the initial mesh with 5 nodes: | |
>>> x = np.linspace(0, 1, 5) | |
This problem is known to have two solutions. To obtain both of them, we | |
use two different initial guesses for y. We denote them by subscripts | |
a and b. | |
>>> y_a = np.zeros((2, x.size)) | |
>>> y_b = np.zeros((2, x.size)) | |
>>> y_b[0] = 3 | |
Now we are ready to run the solver. | |
>>> from scipy.integrate import solve_bvp | |
>>> res_a = solve_bvp(fun, bc, x, y_a) | |
>>> res_b = solve_bvp(fun, bc, x, y_b) | |
Let's plot the two found solutions. We take an advantage of having the | |
solution in a spline form to produce a smooth plot. | |
>>> x_plot = np.linspace(0, 1, 100) | |
>>> y_plot_a = res_a.sol(x_plot)[0] | |
>>> y_plot_b = res_b.sol(x_plot)[0] | |
>>> import matplotlib.pyplot as plt | |
>>> plt.plot(x_plot, y_plot_a, label='y_a') | |
>>> plt.plot(x_plot, y_plot_b, label='y_b') | |
>>> plt.legend() | |
>>> plt.xlabel("x") | |
>>> plt.ylabel("y") | |
>>> plt.show() | |
We see that the two solutions have similar shape, but differ in scale | |
significantly. | |
In the second example, we solve a simple Sturm-Liouville problem:: | |
y'' + k**2 * y = 0 | |
y(0) = y(1) = 0 | |
It is known that a non-trivial solution y = A * sin(k * x) is possible for | |
k = pi * n, where n is an integer. To establish the normalization constant | |
A = 1 we add a boundary condition:: | |
y'(0) = k | |
Again, we rewrite our equation as a first-order system and implement its | |
right-hand side evaluation:: | |
y1' = y2 | |
y2' = -k**2 * y1 | |
>>> def fun(x, y, p): | |
... k = p[0] | |
... return np.vstack((y[1], -k**2 * y[0])) | |
Note that parameters p are passed as a vector (with one element in our | |
case). | |
Implement the boundary conditions: | |
>>> def bc(ya, yb, p): | |
... k = p[0] | |
... return np.array([ya[0], yb[0], ya[1] - k]) | |
Set up the initial mesh and guess for y. We aim to find the solution for | |
k = 2 * pi, to achieve that we set values of y to approximately follow | |
sin(2 * pi * x): | |
>>> x = np.linspace(0, 1, 5) | |
>>> y = np.zeros((2, x.size)) | |
>>> y[0, 1] = 1 | |
>>> y[0, 3] = -1 | |
Run the solver with 6 as an initial guess for k. | |
>>> sol = solve_bvp(fun, bc, x, y, p=[6]) | |
We see that the found k is approximately correct: | |
>>> sol.p[0] | |
6.28329460046 | |
And, finally, plot the solution to see the anticipated sinusoid: | |
>>> x_plot = np.linspace(0, 1, 100) | |
>>> y_plot = sol.sol(x_plot)[0] | |
>>> plt.plot(x_plot, y_plot) | |
>>> plt.xlabel("x") | |
>>> plt.ylabel("y") | |
>>> plt.show() | |
""" | |
x = np.asarray(x, dtype=float) | |
if x.ndim != 1: | |
raise ValueError("`x` must be 1 dimensional.") | |
h = np.diff(x) | |
if np.any(h <= 0): | |
raise ValueError("`x` must be strictly increasing.") | |
a = x[0] | |
y = np.asarray(y) | |
if np.issubdtype(y.dtype, np.complexfloating): | |
dtype = complex | |
else: | |
dtype = float | |
y = y.astype(dtype, copy=False) | |
if y.ndim != 2: | |
raise ValueError("`y` must be 2 dimensional.") | |
if y.shape[1] != x.shape[0]: | |
raise ValueError(f"`y` is expected to have {x.shape[0]} columns, but actually " | |
f"has {y.shape[1]}.") | |
if p is None: | |
p = np.array([]) | |
else: | |
p = np.asarray(p, dtype=dtype) | |
if p.ndim != 1: | |
raise ValueError("`p` must be 1 dimensional.") | |
if tol < 100 * EPS: | |
warn(f"`tol` is too low, setting to {100 * EPS:.2e}", stacklevel=2) | |
tol = 100 * EPS | |
if verbose not in [0, 1, 2]: | |
raise ValueError("`verbose` must be in [0, 1, 2].") | |
n = y.shape[0] | |
k = p.shape[0] | |
if S is not None: | |
S = np.asarray(S, dtype=dtype) | |
if S.shape != (n, n): | |
raise ValueError(f"`S` is expected to have shape {(n, n)}, " | |
f"but actually has {S.shape}") | |
# Compute I - S^+ S to impose necessary boundary conditions. | |
B = np.identity(n) - np.dot(pinv(S), S) | |
y[:, 0] = np.dot(B, y[:, 0]) | |
# Compute (I - S)^+ to correct derivatives at x=a. | |
D = pinv(np.identity(n) - S) | |
else: | |
B = None | |
D = None | |
if bc_tol is None: | |
bc_tol = tol | |
# Maximum number of iterations | |
max_iteration = 10 | |
fun_wrapped, bc_wrapped, fun_jac_wrapped, bc_jac_wrapped = wrap_functions( | |
fun, bc, fun_jac, bc_jac, k, a, S, D, dtype) | |
f = fun_wrapped(x, y, p) | |
if f.shape != y.shape: | |
raise ValueError(f"`fun` return is expected to have shape {y.shape}, " | |
f"but actually has {f.shape}.") | |
bc_res = bc_wrapped(y[:, 0], y[:, -1], p) | |
if bc_res.shape != (n + k,): | |
raise ValueError(f"`bc` return is expected to have shape {(n + k,)}, " | |
f"but actually has {bc_res.shape}.") | |
status = 0 | |
iteration = 0 | |
if verbose == 2: | |
print_iteration_header() | |
while True: | |
m = x.shape[0] | |
col_fun, jac_sys = prepare_sys(n, m, k, fun_wrapped, bc_wrapped, | |
fun_jac_wrapped, bc_jac_wrapped, x, h) | |
y, p, singular = solve_newton(n, m, h, col_fun, bc_wrapped, jac_sys, | |
y, p, B, tol, bc_tol) | |
iteration += 1 | |
col_res, y_middle, f, f_middle = collocation_fun(fun_wrapped, y, | |
p, x, h) | |
bc_res = bc_wrapped(y[:, 0], y[:, -1], p) | |
max_bc_res = np.max(abs(bc_res)) | |
# This relation is not trivial, but can be verified. | |
r_middle = 1.5 * col_res / h | |
sol = create_spline(y, f, x, h) | |
rms_res = estimate_rms_residuals(fun_wrapped, sol, x, h, p, | |
r_middle, f_middle) | |
max_rms_res = np.max(rms_res) | |
if singular: | |
status = 2 | |
break | |
insert_1, = np.nonzero((rms_res > tol) & (rms_res < 100 * tol)) | |
insert_2, = np.nonzero(rms_res >= 100 * tol) | |
nodes_added = insert_1.shape[0] + 2 * insert_2.shape[0] | |
if m + nodes_added > max_nodes: | |
status = 1 | |
if verbose == 2: | |
nodes_added = f"({nodes_added})" | |
print_iteration_progress(iteration, max_rms_res, max_bc_res, | |
m, nodes_added) | |
break | |
if verbose == 2: | |
print_iteration_progress(iteration, max_rms_res, max_bc_res, m, | |
nodes_added) | |
if nodes_added > 0: | |
x = modify_mesh(x, insert_1, insert_2) | |
h = np.diff(x) | |
y = sol(x) | |
elif max_bc_res <= bc_tol: | |
status = 0 | |
break | |
elif iteration >= max_iteration: | |
status = 3 | |
break | |
if verbose > 0: | |
if status == 0: | |
print(f"Solved in {iteration} iterations, number of nodes {x.shape[0]}. \n" | |
f"Maximum relative residual: {max_rms_res:.2e} \n" | |
f"Maximum boundary residual: {max_bc_res:.2e}") | |
elif status == 1: | |
print(f"Number of nodes is exceeded after iteration {iteration}. \n" | |
f"Maximum relative residual: {max_rms_res:.2e} \n" | |
f"Maximum boundary residual: {max_bc_res:.2e}") | |
elif status == 2: | |
print("Singular Jacobian encountered when solving the collocation " | |
f"system on iteration {iteration}. \n" | |
f"Maximum relative residual: {max_rms_res:.2e} \n" | |
f"Maximum boundary residual: {max_bc_res:.2e}") | |
elif status == 3: | |
print("The solver was unable to satisfy boundary conditions " | |
f"tolerance on iteration {iteration}. \n" | |
f"Maximum relative residual: {max_rms_res:.2e} \n" | |
f"Maximum boundary residual: {max_bc_res:.2e}") | |
if p.size == 0: | |
p = None | |
return BVPResult(sol=sol, p=p, x=x, y=y, yp=f, rms_residuals=rms_res, | |
niter=iteration, status=status, | |
message=TERMINATION_MESSAGES[status], success=status == 0) | |