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#13 Adding Householder transformations and the QR decomposition #20
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@@ -11,3 +11,5 @@ dependencies: | |
- mypy==0.782 | ||
- mypy-extensions==0.4.3 | ||
- pylint==2.6.0 | ||
- numpy==1.19.2 | ||
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Languages/Python/nice_implementations/src/householder/householder.py
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class Householder: | ||
def __init__(self, x, y): | ||
""" | ||
Initialise a householder transformation which transforms the vector x to | ||
point in the direction of a vector y, by reflecting x in a hyperplane | ||
through the origin, whose normal is denoted by v. The matrix of this | ||
linear transformation is denoted by P and is equal to I - | ||
2*v@v.T/(v.T@v) == I - beta*v@v.T, where beta = 2/(v.T@v). By | ||
definition, P@x == alpha*y for some scalar alpha. | ||
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According to the derivation in section 5.1.2 of Matrix Computations by | ||
Golub and Van Loan (4th edition), expanding P = I - 2*v@v.T/(v.T@v) and | ||
P@x == alpha*y implies that v is parallel to x - alpha*y, and the | ||
magnitude of v is not unique, so we can set v = x - alpha*y. Expanding | ||
P@x - alpha*y == 0 implies that alpha**2 == (x.T@x)/(y.T@y) | ||
""" | ||
alpha = np.linalg.norm(x) / np.linalg.norm(y) | ||
self.v = x - alpha * y | ||
denom = self.v.T @ self.v | ||
beta = 0 if denom == 0 else 2.0 / denom | ||
self.beta_times_v = beta * self.v | ||
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def get_matrix(self): | ||
""" | ||
Return the Householder matrix P == I - beta*(v @ v.T) | ||
""" | ||
return np.identity(self.v.size) - np.outer(self.beta_times_v, self.v) | ||
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def pre_mult(self, A): | ||
""" | ||
Compute the matrix product P @ A: | ||
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P @ A == (I - beta * v @ v.T) @ A == A - (beta * v) @ (v.T @ A) | ||
""" | ||
return A - np.outer(self.beta_times_v, self.v.T @ A).reshape(A.shape) | ||
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def __matmul__(self, A): | ||
return self.pre_mult(A) | ||
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def qr(A, verbose=False): | ||
""" | ||
Compute the QR decomposition, A = Q @ R, where Q @ Q.T = I, and R is upper | ||
triangular, using Householder transformations. | ||
""" | ||
m, n = A.shape | ||
y = np.zeros(m) | ||
y[0] = 1 | ||
R = A.copy() | ||
k = min(m, n) | ||
h_list = [None] * k | ||
# Iterate through columns of A | ||
for i in range(k): | ||
# Apply Householder transform to sub-matrix to remove sub-diagonal | ||
if verbose: | ||
print("i={}\n".format(i), R, end="\n\n") | ||
h = Householder(R[i:, i], y[: m - i]) | ||
h_list[i] = h | ||
R[i:, i:] = h @ R[i:, i:] | ||
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# Create Q matrix from list of Householder transformations | ||
Q = np.identity(A.shape[0]) | ||
for i in reversed(range(k)): | ||
Q[i:, i:] = h_list[i] @ Q[i:, i:] | ||
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if verbose: | ||
print( | ||
"A=", A, "R=", R, "Q=", Q, "Errors=", qr_errors(A, Q, R), sep="\n\n" | ||
) | ||
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return Q, R | ||
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def qr_errors(A, Q, R): | ||
recon_error = np.max(np.abs(A - Q @ R)) | ||
ortho_error = np.max(np.abs(np.identity(A.shape[0]) - Q @ Q.T)) | ||
triang_error = np.max(np.abs([e for i in range(R.shape[1]) for e in R[i + 1 :, i]])) | ||
return recon_error, ortho_error, triang_error |
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Languages/Python/nice_implementations/tests/Small QR example.txt
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A= | ||
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[[ 12 -51 4] | ||
[ 6 167 -68] | ||
[ -4 24 -41]] | ||
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Q= | ||
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[[ 0.8571428571 -0.3942857143 -0.3314285714] | ||
[ 0.4285714286 0.9028571429 0.0342857143] | ||
[-0.2857142857 0.1714285714 -0.9428571429]] | ||
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R= | ||
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[[ 14 21 -14] | ||
[ 0 175 -70] | ||
[ 0 0 35]] |
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Languages/Python/nice_implementations/tests/householder/test_householder.py
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""" Module to test the Householder class for Householder transformations """ | ||
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from ...src.householder.householder import Householder | ||
import numpy as np | ||
from numpy.linalg import norm | ||
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np.random.seed(0) | ||
TOL = 1e-15 | ||
N = 10 | ||
M = 12 | ||
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def gaussian_vector(m): | ||
""" Generate an m-dimensional Gaussian vector """ | ||
return np.random.normal(size=m) | ||
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def gaussian_matrix(m, n, r=None): | ||
""" | ||
Generate an m*n matrix using Gaussian random numbers. If r is None, the | ||
matrix will almost surely be full rank; otherwise, if r is a non-negative | ||
integer, the matrix will have rank r. | ||
""" | ||
if r is None: | ||
return np.random.normal(size=[m, n]) | ||
else: | ||
A = np.zeros([m, n]) | ||
for _ in range(r): | ||
A += np.outer(gaussian_vector(m), gaussian_vector(n)) | ||
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return A | ||
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def test_symmetric(): | ||
""" Test that the Householder matrix is symmetric """ | ||
x, y = gaussian_vector(N), gaussian_vector(N) | ||
h = Householder(x, y) | ||
P = h.get_matrix() | ||
assert np.allclose(P, P.T, 0, TOL) | ||
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def test_orthogonal(): | ||
""" Test that the Householder matrix is orthogonal """ | ||
x, y = gaussian_vector(N), gaussian_vector(N) | ||
h = Householder(x, y) | ||
P = h.get_matrix() | ||
assert np.allclose(P @ P.T, np.identity(N), 0, TOL) | ||
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def test_self_inverse(): | ||
""" Test that the Householder transformation is self-inverse """ | ||
x, y = gaussian_vector(N), gaussian_vector(N) | ||
h = Householder(x, y) | ||
assert np.allclose(x, h @ (h @ x), 0, TOL) | ||
P = h.get_matrix() | ||
assert np.allclose(P @ P, np.identity(N), 0, TOL) | ||
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def test_householder_multiplication(): | ||
""" | ||
Test that the efficient Householder transform implementation is equivalent | ||
to matrix multiplication | ||
""" | ||
x, y = gaussian_vector(N), gaussian_vector(N) | ||
h = Householder(x, y) | ||
z = gaussian_matrix(N, M) | ||
assert np.allclose(h @ z, h.get_matrix() @ z, 0, TOL) | ||
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def test_householder_direction(): | ||
""" | ||
Test that the Householder transform points vectors in the correct direction | ||
""" | ||
x, y = gaussian_vector(N), gaussian_vector(N) | ||
h = Householder(x, y) | ||
z = h @ x | ||
assert np.allclose(z / norm(z), y / norm(y), 0, TOL) | ||
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def test_zero_input(): | ||
""" | ||
Verify that if x is a zero-vector, then the Householder transform for any | ||
given y is the identity transformation | ||
""" | ||
x, y = np.zeros(N), gaussian_vector(N) | ||
h = Householder(x, y) | ||
assert np.allclose(h.get_matrix(), np.identity(N), 0, TOL) | ||
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def test_zero_out_column(): | ||
""" | ||
Test using a Householder transform to zero out the sub-diagonal of the first | ||
column of a matrix | ||
""" | ||
A = gaussian_matrix(M, N) | ||
y = np.zeros(M) | ||
y[0] = 1 | ||
h = Householder(A[:, 0], y) | ||
B = h @ A | ||
assert np.allclose(B[1:, 0], 0, 0, TOL) |
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Languages/Python/nice_implementations/tests/householder/test_qr.py
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""" Module to test the QR decomposition using Householder transformations """ | ||
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from ...src.householder.householder import qr, qr_errors | ||
from .test_householder import gaussian_matrix | ||
import numpy as np | ||
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np.random.seed(0) | ||
np.set_printoptions(precision=10, linewidth=1000, suppress=True, threshold=1000) | ||
TOL = 1e-13 | ||
N = 13 | ||
M = 17 | ||
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def _test_qr(m, n): | ||
""" | ||
Test that the QR decomposition works for m*n matrices, including both | ||
full-rank and low-rank matrics | ||
""" | ||
A = gaussian_matrix(m, n) | ||
Q, R = qr(A) | ||
for e in qr_errors(A, Q, R): | ||
assert e < TOL | ||
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for rank in range(4): | ||
A = gaussian_matrix(m, n, rank) | ||
Q, R = qr(A) | ||
for e in qr_errors(A, Q, R): | ||
assert e < TOL | ||
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def test_qr_square(): | ||
""" | ||
Test that the QR decomposition works for square matrices, including both | ||
full-rank and low-rank matrics | ||
""" | ||
_test_qr(M, M) | ||
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def test_qr_skinny(): | ||
""" | ||
Test that the QR decomposition works for skinny matrices (more rows than | ||
columns), including both full-rank and low-rank matrics | ||
""" | ||
_test_qr(M, N) | ||
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def test_qr_fat(): | ||
""" | ||
Test that the QR decomposition works for fat matrices (more columns than | ||
rows), including both full-rank and low-rank matrics | ||
""" | ||
_test_qr(N, M) | ||
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def test_small_example(): | ||
""" Test small 3x3 example from the Wikipedia page on QR decomposition """ | ||
A = np.array([[12, -51, 4], [6, 167, -68], [-4, 24, -41]]) | ||
Q, R = qr(A) | ||
print("A=", A, "Q=", Q, "R=", R, sep="\n\n", file=open("Small QR example.txt", "w")) | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. SHOULD: Remove prints from tests There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. Remove txt files |
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for e in qr_errors(A, Q, R): | ||
assert e < TOL | ||
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def test_integer_matrix(): | ||
""" Test randomly generated integer matrix, and print output to file """ | ||
A = np.random.choice(4, [10, 14]).astype(np.float) | ||
Q, R = qr(A, verbose=True) | ||
for e in qr_errors(A, Q, R): | ||
assert e < TOL |
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SHOULD: Use
np.all_close
and remove theqr_errors
function