Python/maths/cholesky_decomposition.py
2024-10-09 08:32:28 +02:00

109 lines
2.8 KiB
Python

import numpy as np
# ruff: noqa: N803,N806
def cholesky_decomposition(A: np.ndarray) -> np.ndarray:
"""Return a Cholesky decomposition of the matrix A.
The Cholesky decomposition decomposes the square, positive definite matrix A
into a lower triangular matrix L such that A = L L^T.
https://en.wikipedia.org/wiki/Cholesky_decomposition
Arguments:
A -- a numpy.ndarray of shape (n, n)
>>> A = np.array([[4, 12, -16], [12, 37, -43], [-16, -43, 98]], dtype=float)
>>> L = cholesky_decomposition(A)
>>> np.allclose(L, np.array([[2, 0, 0], [6, 1, 0], [-8, 5, 3]]))
True
>>> # check that the decomposition is correct
>>> np.allclose(L @ L.T, A)
True
>>> # check that L is lower triangular
>>> np.allclose(np.tril(L), L)
True
The Cholesky decomposition can be used to solve the system of equations A x = y.
>>> x_true = np.array([1, 2, 3], dtype=float)
>>> y = A @ x_true
>>> x = solve_cholesky(L, y)
>>> np.allclose(x, x_true)
True
It can also be used to solve multiple equations A X = Y simultaneously.
>>> X_true = np.random.rand(3, 3)
>>> Y = A @ X_true
>>> X = solve_cholesky(L, Y)
>>> np.allclose(X, X_true)
True
"""
assert A.shape[0] == A.shape[1], f"A is not square, {A.shape=}"
n = A.shape[0]
L = np.tril(A)
for i in range(n):
for j in range(i + 1):
L[i, j] -= np.sum(L[i, :j] * L[j, :j])
if i == j:
if L[i, i] <= 0:
raise ValueError("Matrix A is not positive definite")
L[i, i] = np.sqrt(L[i, i])
else:
L[i, j] /= L[j, j]
return L
def solve_cholesky(L: np.ndarray, Y: np.ndarray) -> np.ndarray:
"""Given a Cholesky decomposition L L^T = A of a matrix A, solve the
system of equations A X = Y where B is either a matrix or a vector.
>>> L = np.array([[2, 0], [3, 4]], dtype=float)
>>> Y = np.array([[22, 54], [81, 193]], dtype=float)
>>> X = solve_cholesky(L, Y)
>>> np.allclose(X, np.array([[1, 3], [3, 7]], dtype=float))
True
"""
assert L.shape[0] == L.shape[1], f"L is not square, {L.shape=}"
assert np.allclose(np.tril(L), L), "L is not lower triangular"
# Handle vector case by reshaping to matrix and then flattening again
if len(Y.shape) == 1:
return solve_cholesky(L, Y.reshape(-1, 1)).ravel()
n = Y.shape[0]
# Solve L W = B for W
W = Y.copy()
for i in range(n):
for j in range(i):
W[i] -= L[i, j] * W[j]
W[i] /= L[i, i]
# Solve L^T X = W for X
X = W
for i in reversed(range(n)):
for j in range(i + 1, n):
X[i] -= L[j, i] * X[j]
X[i] /= L[i, i]
return X
if __name__ == "__main__":
import doctest
doctest.testmod()