diff --git a/doc/source/api-reference/qibo.rst b/doc/source/api-reference/qibo.rst index 53cf772628..8e4d156269 100644 --- a/doc/source/api-reference/qibo.rst +++ b/doc/source/api-reference/qibo.rst @@ -1964,6 +1964,12 @@ Matrix exponentiation .. autofunction:: qibo.quantum_info.matrix_exponentiation +Matrix power +"""""""""""" + +.. autofunction:: qibo.quantum_info.matrix_power + + Quantum Networks ^^^^^^^^^^^^^^^^ diff --git a/poetry.lock b/poetry.lock index 53bd97e80e..a995eca8f6 100644 --- a/poetry.lock +++ b/poetry.lock @@ -1,4 +1,4 @@ -# This file is automatically @generated by Poetry 1.7.0 and should not be changed by hand. +# This file is automatically @generated by Poetry 1.8.3 and should not be changed by hand. 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= [ [[package]] name = "zipp" -version = "3.20.1" +version = "3.20.2" description = "Backport of pathlib-compatible object wrapper for zip files" optional = false python-versions = ">=3.8" files = [ - {file = "zipp-3.20.1-py3-none-any.whl", hash = "sha256:9960cd8967c8f85a56f920d5d507274e74f9ff813a0ab8889a5b5be2daf44064"}, - {file = "zipp-3.20.1.tar.gz", hash = "sha256:c22b14cc4763c5a5b04134207736c107db42e9d3ef2d9779d465f5f1bcba572b"}, + {file = "zipp-3.20.2-py3-none-any.whl", hash = "sha256:a817ac80d6cf4b23bf7f2828b7cabf326f15a001bea8b1f9b49631780ba28350"}, + {file = "zipp-3.20.2.tar.gz", hash = "sha256:bc9eb26f4506fda01b81bcde0ca78103b6e62f991b381fec825435c836edbc29"}, ] [package.extras] diff --git a/src/qibo/backends/abstract.py b/src/qibo/backends/abstract.py index b26ed32a6d..468fa89008 100644 --- a/src/qibo/backends/abstract.py +++ b/src/qibo/backends/abstract.py @@ -1,4 +1,5 @@ import abc +from typing import Union from qibo.config import raise_error @@ -355,6 +356,21 @@ def calculate_matrix_exp( """ raise_error(NotImplementedError) + @abc.abstractmethod + def calculate_matrix_power( + self, matrix, power: Union[float, int] + ): # pragma: no cover + """Calculate the (fractional) ``power`` :math:`\\alpha` of ``matrix`` :math:`A`, + i.e. :math:`A^{\\alpha}`. + + .. note:: + For the ``pytorch`` backend, this method relies on a copy of the original tensor. + This may break the gradient flow. For the GPU backends (i.e. ``cupy`` and + ``cuquantum``), this method falls back to CPU whenever ``power`` is not + an integer. + """ + raise_error(NotImplementedError) + @abc.abstractmethod def calculate_hamiltonian_matrix_product( self, matrix1, matrix2 diff --git a/src/qibo/backends/numpy.py b/src/qibo/backends/numpy.py index d1bf8a6bf2..fe1441b7c6 100644 --- a/src/qibo/backends/numpy.py +++ b/src/qibo/backends/numpy.py @@ -1,9 +1,10 @@ import collections import math +from typing import Union import numpy as np from scipy import sparse -from scipy.linalg import block_diag +from scipy.linalg import block_diag, fractional_matrix_power from qibo import __version__ from qibo.backends import einsum_utils @@ -768,6 +769,14 @@ def calculate_matrix_exp(self, a, matrix, eigenvectors=None, eigenvalues=None): ud = self.np.transpose(np.conj(eigenvectors)) return self.np.matmul(eigenvectors, self.np.matmul(expd, ud)) + def calculate_matrix_power(self, matrix, power: Union[float, int]): + if not isinstance(power, (float, int)): + raise_error( + TypeError, + f"``power`` must be either float or int, but it is type {type(power)}.", + ) + return fractional_matrix_power(matrix, power) + # TODO: remove this method def calculate_hamiltonian_matrix_product(self, matrix1, matrix2): return matrix1 @ matrix2 diff --git a/src/qibo/backends/pytorch.py b/src/qibo/backends/pytorch.py index d7612f8e49..22fbbc5640 100644 --- a/src/qibo/backends/pytorch.py +++ b/src/qibo/backends/pytorch.py @@ -199,6 +199,11 @@ def calculate_matrix_exp(self, a, matrix, eigenvectors=None, eigenvalues=None): ud = self.np.conj(eigenvectors).T return self.np.matmul(eigenvectors, self.np.matmul(expd, ud)) + def calculate_matrix_power(self, matrix, power): + copied = self.to_numpy(self.np.copy(matrix)) + copied = super().calculate_matrix_power(copied, power) + return self.cast(copied, dtype=copied.dtype) + def _test_regressions(self, name): if name == "test_measurementresult_apply_bitflips": return [ diff --git a/src/qibo/quantum_info/entropies.py b/src/qibo/quantum_info/entropies.py index ef0f5edd80..31972c4ff5 100644 --- a/src/qibo/quantum_info/entropies.py +++ b/src/qibo/quantum_info/entropies.py @@ -3,12 +3,10 @@ from typing import Union import numpy as np -from scipy.linalg import fractional_matrix_power from qibo.backends import _check_backend -from qibo.backends.pytorch import PyTorchBackend from qibo.config import PRECISION_TOL, raise_error -from qibo.quantum_info.linalg_operations import partial_trace +from qibo.quantum_info.linalg_operations import matrix_power, partial_trace from qibo.quantum_info.metrics import _check_hermitian, purity @@ -724,7 +722,7 @@ def renyi_entropy(state, alpha: Union[float, int], base: float = 2, backend=None / np.log2(base) ) - log = backend.np.log2(backend.np.trace(_matrix_power(state, alpha, backend))) + log = backend.np.log2(backend.np.trace(matrix_power(state, alpha, backend))) return (1 / (1 - alpha)) * log / np.log2(base) @@ -823,8 +821,8 @@ def relative_renyi_entropy( return relative_von_neumann_entropy(state, target, base, backend=backend) if alpha == np.inf: - new_state = _matrix_power(state, 0.5, backend) - new_target = _matrix_power(target, 0.5, backend) + new_state = matrix_power(state, 0.5, backend) + new_target = matrix_power(target, 0.5, backend) log = backend.np.log2( backend.calculate_norm_density_matrix(new_state @ new_target, order=1) @@ -832,8 +830,8 @@ def relative_renyi_entropy( return -2 * log / np.log2(base) - log = _matrix_power(state, alpha, backend) - log = log @ _matrix_power(target, 1 - alpha, backend) + log = matrix_power(state, alpha, backend) + log = log @ matrix_power(target, 1 - alpha, backend) log = backend.np.log2(backend.np.trace(log)) return (1 / (alpha - 1)) * log / np.log2(base) @@ -891,7 +889,7 @@ def tsallis_entropy(state, alpha: float, base: float = 2, backend=None): return von_neumann_entropy(state, base=base, backend=backend) return (1 / (1 - alpha)) * ( - backend.np.trace(_matrix_power(state, alpha, backend)) - 1 + backend.np.trace(matrix_power(state, alpha, backend)) - 1 ) @@ -953,19 +951,3 @@ def entanglement_entropy( ) return entropy_entanglement - - -def _matrix_power(matrix, alpha, backend): - """Calculates ``matrix ** alpha`` according to backend.""" - if backend.__class__.__name__ in [ - "CupyBackend", - "CuQuantumBackend", - ]: # pragma: no cover - new_matrix = backend.to_numpy(matrix) - else: - new_matrix = backend.np.copy(matrix) - - if len(new_matrix.shape) == 1: - new_matrix = backend.np.outer(new_matrix, backend.np.conj(new_matrix)) - - return backend.cast(fractional_matrix_power(backend.to_numpy(new_matrix), alpha)) diff --git a/src/qibo/quantum_info/linalg_operations.py b/src/qibo/quantum_info/linalg_operations.py index ae87ba4e12..6fc48e6e74 100644 --- a/src/qibo/quantum_info/linalg_operations.py +++ b/src/qibo/quantum_info/linalg_operations.py @@ -196,3 +196,21 @@ def matrix_exponentiation( backend = _check_backend(backend) return backend.calculate_matrix_exp(phase, matrix, eigenvectors, eigenvalues) + + +def matrix_power(matrix, power: Union[float, int], backend=None): + """Given a ``matrix`` :math:`A` and power :math:`\\alpha`, calculate :math:`A^{\\alpha}`. + + Args: + matrix (ndarray): matrix whose power to calculate. + power (float or int): power to raise ``matrix`` to. + backend (:class:`qibo.backends.abstract.Backend`, optional): backend + to be used in the execution. If ``None``, it uses + :class:`qibo.backends.GlobalBackend`. Defaults to ``None``. + + Returns: + ndarray: matrix power :math:`A^{\\alpha}`. + """ + backend = _check_backend(backend) + + return backend.calculate_matrix_power(matrix, power) diff --git a/tests/test_quantum_info_entropies.py b/tests/test_quantum_info_entropies.py index a0644a17c4..b383effed6 100644 --- a/tests/test_quantum_info_entropies.py +++ b/tests/test_quantum_info_entropies.py @@ -1,10 +1,8 @@ import numpy as np import pytest -from scipy.linalg import sqrtm from qibo.config import PRECISION_TOL from qibo.quantum_info.entropies import ( - _matrix_power, classical_mutual_information, classical_relative_entropy, classical_relative_renyi_entropy, @@ -19,6 +17,7 @@ tsallis_entropy, von_neumann_entropy, ) +from qibo.quantum_info.linalg_operations import matrix_power from qibo.quantum_info.random_ensembles import ( random_density_matrix, random_statevector, @@ -646,8 +645,18 @@ def test_relative_renyi_entropy(backend, alpha, base, state_flag, target_flag): if alpha == 1.0: log = relative_von_neumann_entropy(state, target, base, backend=backend) elif alpha == np.inf: - new_state = _matrix_power(state, 0.5, backend) - new_target = _matrix_power(target, 0.5, backend) + state_outer = ( + backend.np.outer(state, backend.np.conj(state.T)) + if state_flag + else state + ) + target_outer = ( + backend.np.outer(target, backend.np.conj(target.T)) + if target_flag + else target + ) + new_state = matrix_power(state_outer, 0.5, backend) + new_target = matrix_power(target_outer, 0.5, backend) log = backend.np.log2( backend.calculate_norm_density_matrix( @@ -663,8 +672,8 @@ def test_relative_renyi_entropy(backend, alpha, base, state_flag, target_flag): if len(target.shape) == 1: target = backend.np.outer(target, backend.np.conj(target)) - log = _matrix_power(state, alpha, backend) - log = log @ _matrix_power(target, 1 - alpha, backend) + log = matrix_power(state, alpha, backend) + log = log @ matrix_power(target, 1 - alpha, backend) log = backend.np.log2(backend.np.trace(log)) log = (1 / (alpha - 1)) * log / np.log2(base) @@ -710,7 +719,7 @@ def test_tsallis_entropy(backend, alpha, base): target = von_neumann_entropy(state, base=base, backend=backend) else: target = (1 / (1 - alpha)) * ( - backend.np.trace(_matrix_power(state, alpha, backend)) - 1 + backend.np.trace(matrix_power(state, alpha, backend)) - 1 ) backend.assert_allclose( diff --git a/tests/test_quantum_info_operations.py b/tests/test_quantum_info_operations.py index 057b69e6ea..3d97f1f63a 100644 --- a/tests/test_quantum_info_operations.py +++ b/tests/test_quantum_info_operations.py @@ -5,8 +5,10 @@ from qibo.quantum_info.linalg_operations import ( anticommutator, commutator, + matrix_power, partial_trace, ) +from qibo.quantum_info.metrics import purity from qibo.quantum_info.random_ensembles import random_density_matrix, random_statevector @@ -109,3 +111,22 @@ def test_partial_trace(backend, density_matrix): Id = backend.identity_density_matrix(1, normalize=True) backend.assert_allclose(traced, Id) + + +@pytest.mark.parametrize("power", [2, 2.0, "2"]) +def test_matrix_power(backend, power): + nqubits = 2 + dims = 2**nqubits + + state = random_density_matrix(dims, backend=backend) + + if isinstance(power, str): + with pytest.raises(TypeError): + test = matrix_power(state, power, backend) + else: + power = matrix_power(state, power, backend) + + backend.assert_allclose( + float(backend.np.real(backend.np.trace(power))), + purity(state, backend=backend), + )