diff --git a/.github/CHANGELOG.md b/.github/CHANGELOG.md index 66dc415a..392e5d28 100644 --- a/.github/CHANGELOG.md +++ b/.github/CHANGELOG.md @@ -15,6 +15,8 @@ ### Bug fixes +* Add the calculation method of `takagi` when the matrix is diagonal. [(#394)](https://github.com/XanaduAI/thewalrus/pull/394) + ### Documentation ### Contributors diff --git a/thewalrus/decompositions.py b/thewalrus/decompositions.py index 46585429..a0e65733 100644 --- a/thewalrus/decompositions.py +++ b/thewalrus/decompositions.py @@ -152,7 +152,8 @@ def blochmessiah(S): return O, D, Q -def takagi(A, svd_order=True): +def takagi(A, svd_order=True, rtol=1e-16): + # pylint: disable=too-many-return-statements r"""Autonne-Takagi decomposition of a complex symmetric (not Hermitian!) matrix. Note that the input matrix is internally symmetrized by taking its upper triangular part. If the input matrix is indeed symmetric this leaves it unchanged. @@ -162,6 +163,7 @@ def takagi(A, svd_order=True): Args: A (array): square, symmetric matrix svd_order (boolean): whether to return result by ordering the singular values of ``A`` in descending (``True``) or ascending (``False``) order. + rtol (float): the relative tolerance parameter used in ``np.allclose`` when judging if the matrix is diagonal or not. Default to 1e-16. Returns: tuple[array, array]: (r, U), where r are the singular values, @@ -202,6 +204,19 @@ def takagi(A, svd_order=True): vals, U = takagi(Amr, svd_order=svd_order) return vals, U * np.exp(1j * phi / 2) + # If the matrix is diagonal, Takagi decomposition is easy + if np.allclose(A, np.diag(np.diag(A)), rtol=rtol): + d = np.diag(A) + l = np.abs(d) + idx = np.argsort(l) + d = d[idx] + l = l[idx] + U = np.diag(np.exp(1j * 0.5 * np.angle(d))) + U = U[::-1, :] + if svd_order: + return l[::-1], U[:, ::-1] + return l, U + u, d, v = np.linalg.svd(A) U = u @ sqrtm((v @ np.conjugate(u)).T) if svd_order is False: diff --git a/thewalrus/tests/test_decompositions.py b/thewalrus/tests/test_decompositions.py index 122c0821..18e3adf6 100644 --- a/thewalrus/tests/test_decompositions.py +++ b/thewalrus/tests/test_decompositions.py @@ -324,6 +324,35 @@ def test_takagi_error(): takagi(A) +@pytest.mark.parametrize("svd_order", [True, False]) +def test_takagi_diagonal_matrix(svd_order): + """Test the takagi decomposition works well for a specific matrix that was not decomposed accurately in a previous implementation. + See more info in PR #393 (https://github.com/XanaduAI/thewalrus/pull/393)""" + A = np.array( + [ + [ + -8.4509484628125742e-01 + 1.0349426984742664e-16j, + 6.3637197288239186e-17 - 7.4398922703555097e-33j, + 2.6734481396039929e-32 + 1.7155650257063576e-35j, + ], + [ + 6.3637197288239186e-17 - 7.4398922703555097e-33j, + -2.0594021562561332e-01 + 2.2863956908382538e-17j, + -5.8325863096557049e-17 + 1.6949718400585382e-18j, + ], + [ + 2.6734481396039929e-32 + 1.7155650257063576e-35j, + -5.8325863096557049e-17 + 1.6949718400585382e-18j, + 4.4171453199503476e-02 + 1.0022350742842835e-02j, + ], + ] + ) + d, U = takagi(A, svd_order=svd_order) + assert np.allclose(A, U @ np.diag(d) @ U.T) + assert np.allclose(U @ np.conjugate(U).T, np.eye(len(U))) + assert np.all(d >= 0) + + def test_real_degenerate(): """Verify that the Takagi decomposition returns a matrix that is unitary and results in a correct decomposition when input a real but highly degenerate matrix. This test uses the