From 91a93c633baf463dfb7093059b4399faa793d5d9 Mon Sep 17 00:00:00 2001 From: Edoardo-Pedicillo Date: Thu, 28 Mar 2024 17:54:16 +0400 Subject: [PATCH 01/29] refactor: expose commutators --- src/qibo/models/dbi/double_bracket.py | 14 ++++++++++---- 1 file changed, 10 insertions(+), 4 deletions(-) diff --git a/src/qibo/models/dbi/double_bracket.py b/src/qibo/models/dbi/double_bracket.py index 9e584c266a..59f52b0787 100644 --- a/src/qibo/models/dbi/double_bracket.py +++ b/src/qibo/models/dbi/double_bracket.py @@ -56,6 +56,15 @@ def __init__( def __call__( self, step: float, mode: DoubleBracketGeneratorType = None, d: np.array = None + ): + operator = self.eval_operator(step, mode, d) + operator_dagger = self.backend.cast( + np.matrix(self.backend.to_numpy(operator)).getH() + ) + self.h.matrix = operator @ self.h.matrix @ operator_dagger + + def eval_operator( + self, step: float, mode: DoubleBracketGeneratorType = None, d: np.array = None ): if mode is None: mode = self.mode @@ -81,10 +90,7 @@ def __call__( @ self.h.exp(step) @ self.backend.calculate_matrix_exp(step, d) ) - operator_dagger = self.backend.cast( - np.matrix(self.backend.to_numpy(operator)).getH() - ) - self.h.matrix = operator @ self.h.matrix @ operator_dagger + return operator @staticmethod def commutator(a, b): From 6a3b5b4c3748cd91153bc284e816a76a535e4274 Mon Sep 17 00:00:00 2001 From: Edoardo-Pedicillo Date: Fri, 29 Mar 2024 15:22:32 +0400 Subject: [PATCH 02/29] refactor: loss input of minimize in VQE --- src/qibo/models/utils.py | 7 +++++++ src/qibo/models/variational.py | 15 ++++----------- 2 files changed, 11 insertions(+), 11 deletions(-) diff --git a/src/qibo/models/utils.py b/src/qibo/models/utils.py index ec83e78c76..35ee304d31 100644 --- a/src/qibo/models/utils.py +++ b/src/qibo/models/utils.py @@ -207,3 +207,10 @@ def fourier_coefficients( # Shift the filtered coefficients back filtered_coeffs = np.fft.ifftshift(shifted_filtered_coeffs) return filtered_coeffs + + +def var_loss(params, circuit, hamiltonian): + circuit.set_parameters(params) + result = hamiltonian.backend.execute_circuit(circuit) + final_state = result.state() + return hamiltonian.expectation(final_state) diff --git a/src/qibo/models/variational.py b/src/qibo/models/variational.py index 950b8f3a5c..6e9dd92a05 100644 --- a/src/qibo/models/variational.py +++ b/src/qibo/models/variational.py @@ -1,8 +1,8 @@ import numpy as np from qibo.config import raise_error -from qibo.hamiltonians import Hamiltonian from qibo.models.evolution import StateEvolution +from qibo.models.utils import var_loss class VQE: @@ -42,6 +42,7 @@ def minimize( self, initial_state, method="Powell", + loss=var_loss, jac=None, hess=None, hessp=None, @@ -81,16 +82,10 @@ def minimize( and for ``'sgd'`` the options used during the optimization. """ - def _loss(params, circuit, hamiltonian): - circuit.set_parameters(params) - result = hamiltonian.backend.execute_circuit(circuit) - final_state = result.state() - return hamiltonian.expectation(final_state) - if compile: - loss = self.hamiltonian.backend.compile(_loss) + loss = self.hamiltonian.backend.compile(loss) else: - loss = _loss + loss = loss if method == "cma": # TODO: check if we can use this shortcut @@ -643,8 +638,6 @@ def minimize( The corresponding best parameters. extra: variable with historical data for the energy and callbacks. """ - import numpy as np - parameters = np.array([delta_t, 0]) def _loss(params, falqon, hamiltonian): From 1b07e41029769c7abf4c4ddbca16bb6d2f43c465 Mon Sep 17 00:00:00 2001 From: Edoardo-Pedicillo Date: Fri, 29 Mar 2024 15:31:28 +0400 Subject: [PATCH 03/29] refactor: put default value of loss --- src/qibo/models/variational.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/qibo/models/variational.py b/src/qibo/models/variational.py index 6e9dd92a05..a16aafbaef 100644 --- a/src/qibo/models/variational.py +++ b/src/qibo/models/variational.py @@ -62,6 +62,7 @@ def minimize( method (str): the desired minimization method. See :meth:`qibo.optimizers.optimize` for available optimization methods. + loss (callable): loss function, the default one is :func:`qibo.models.utils.var_loss`. jac (dict): Method for computing the gradient vector for scipy optimizers. hess (dict): Method for computing the hessian matrix for scipy optimizers. hessp (callable): Hessian of objective function times an arbitrary @@ -261,6 +262,7 @@ def minimize( self, params, method="BFGS", + loss=var_loss, jac=None, hess=None, hessp=None, From 745700c44f9aefc7272c6dd7e646e1f788fc1c4b Mon Sep 17 00:00:00 2001 From: Edoardo-Pedicillo Date: Fri, 29 Mar 2024 16:03:02 +0400 Subject: [PATCH 04/29] fix: set loss default value to None --- src/qibo/models/variational.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/src/qibo/models/variational.py b/src/qibo/models/variational.py index a16aafbaef..a842b5e82c 100644 --- a/src/qibo/models/variational.py +++ b/src/qibo/models/variational.py @@ -42,7 +42,7 @@ def minimize( self, initial_state, method="Powell", - loss=var_loss, + loss=None, jac=None, hess=None, hessp=None, @@ -82,7 +82,8 @@ def minimize( the ``OptimizeResult``, for ``'cma'`` the ``CMAEvolutionStrategy.result``, and for ``'sgd'`` the options used during the optimization. """ - + if loss is None: + loss = var_loss if compile: loss = self.hamiltonian.backend.compile(loss) else: From 8d717ffa665eeebc91aaed61115b02294b839324 Mon Sep 17 00:00:00 2001 From: Edoardo-Pedicillo Date: Tue, 2 Apr 2024 15:58:27 +0400 Subject: [PATCH 05/29] refactor: return the DBI operators in DBI call function --- src/qibo/models/dbi/double_bracket.py | 1 + src/qibo/models/variational.py | 12 ++++++------ 2 files changed, 7 insertions(+), 6 deletions(-) diff --git a/src/qibo/models/dbi/double_bracket.py b/src/qibo/models/dbi/double_bracket.py index 59f52b0787..7d03565b5d 100644 --- a/src/qibo/models/dbi/double_bracket.py +++ b/src/qibo/models/dbi/double_bracket.py @@ -62,6 +62,7 @@ def __call__( np.matrix(self.backend.to_numpy(operator)).getH() ) self.h.matrix = operator @ self.h.matrix @ operator_dagger + return operator def eval_operator( self, step: float, mode: DoubleBracketGeneratorType = None, d: np.array = None diff --git a/src/qibo/models/variational.py b/src/qibo/models/variational.py index a842b5e82c..320509f4f9 100644 --- a/src/qibo/models/variational.py +++ b/src/qibo/models/variational.py @@ -42,7 +42,7 @@ def minimize( self, initial_state, method="Powell", - loss=None, + _loss=None, # TODO: Change variable name jac=None, hess=None, hessp=None, @@ -82,12 +82,12 @@ def minimize( the ``OptimizeResult``, for ``'cma'`` the ``CMAEvolutionStrategy.result``, and for ``'sgd'`` the options used during the optimization. """ - if loss is None: - loss = var_loss + if _loss is None: + _loss = var_loss if compile: - loss = self.hamiltonian.backend.compile(loss) + loss = self.hamiltonian.backend.compile(_loss) else: - loss = loss + loss = _loss if method == "cma": # TODO: check if we can use this shortcut @@ -650,7 +650,7 @@ def _loss(params, falqon, hamiltonian): energy = [np.inf] callback_result = [] - for it in range(1, max_layers + 1): + for _ in range(1, max_layers + 1): beta = self.hamiltonian.backend.to_numpy( _loss(parameters, self, self.evol_hamiltonian) ) From fb4e7af61a646fb673ae474399fc5337f2363189 Mon Sep 17 00:00:00 2001 From: Edoardo-Pedicillo Date: Tue, 2 Apr 2024 16:05:19 +0400 Subject: [PATCH 06/29] refactor: change loss function variable name --- src/qibo/models/variational.py | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/src/qibo/models/variational.py b/src/qibo/models/variational.py index 320509f4f9..6dbb14277f 100644 --- a/src/qibo/models/variational.py +++ b/src/qibo/models/variational.py @@ -42,7 +42,7 @@ def minimize( self, initial_state, method="Powell", - _loss=None, # TODO: Change variable name + loss_func=None, jac=None, hess=None, hessp=None, @@ -82,20 +82,20 @@ def minimize( the ``OptimizeResult``, for ``'cma'`` the ``CMAEvolutionStrategy.result``, and for ``'sgd'`` the options used during the optimization. """ - if _loss is None: - _loss = var_loss + if loss_func is None: + loss_func = var_loss if compile: - loss = self.hamiltonian.backend.compile(_loss) + loss = self.hamiltonian.backend.compile(loss_func) else: - loss = _loss + loss = loss_func if method == "cma": # TODO: check if we can use this shortcut # dtype = getattr(self.hamiltonian.backend.np, self.hamiltonian.backend._dtypes.get('DTYPE')) dtype = self.hamiltonian.backend.np.float64 - loss = lambda p, c, h: dtype(_loss(p, c, h)) + loss = lambda p, c, h: dtype(loss_func(p, c, h)) elif method != "sgd": - loss = lambda p, c, h: self.hamiltonian.backend.to_numpy(_loss(p, c, h)) + loss = lambda p, c, h: self.hamiltonian.backend.to_numpy(loss_func(p, c, h)) result, parameters, extra = self.optimizers.optimize( loss, From 652b83f0be59e1e249ef18951bd218a084c68b38 Mon Sep 17 00:00:00 2001 From: Edoardo-Pedicillo Date: Wed, 3 Apr 2024 13:29:13 +0400 Subject: [PATCH 07/29] refactor: rename var_loss --- src/qibo/models/utils.py | 2 +- src/qibo/models/variational.py | 7 +++---- 2 files changed, 4 insertions(+), 5 deletions(-) diff --git a/src/qibo/models/utils.py b/src/qibo/models/utils.py index 35ee304d31..dce386af54 100644 --- a/src/qibo/models/utils.py +++ b/src/qibo/models/utils.py @@ -209,7 +209,7 @@ def fourier_coefficients( return filtered_coeffs -def var_loss(params, circuit, hamiltonian): +def vqe_loss(params, circuit, hamiltonian): circuit.set_parameters(params) result = hamiltonian.backend.execute_circuit(circuit) final_state = result.state() diff --git a/src/qibo/models/variational.py b/src/qibo/models/variational.py index 6dbb14277f..f908c8f542 100644 --- a/src/qibo/models/variational.py +++ b/src/qibo/models/variational.py @@ -2,7 +2,7 @@ from qibo.config import raise_error from qibo.models.evolution import StateEvolution -from qibo.models.utils import var_loss +from qibo.models.utils import vqe_loss class VQE: @@ -62,7 +62,7 @@ def minimize( method (str): the desired minimization method. See :meth:`qibo.optimizers.optimize` for available optimization methods. - loss (callable): loss function, the default one is :func:`qibo.models.utils.var_loss`. + loss (callable): loss function, the default one is :func:`qibo.models.utils.vqe_loss`. jac (dict): Method for computing the gradient vector for scipy optimizers. hess (dict): Method for computing the hessian matrix for scipy optimizers. hessp (callable): Hessian of objective function times an arbitrary @@ -83,7 +83,7 @@ def minimize( and for ``'sgd'`` the options used during the optimization. """ if loss_func is None: - loss_func = var_loss + loss_func = vqe_loss if compile: loss = self.hamiltonian.backend.compile(loss_func) else: @@ -263,7 +263,6 @@ def minimize( self, params, method="BFGS", - loss=var_loss, jac=None, hess=None, hessp=None, From 52c4868b141911654abf01b64caf47735a4f86c8 Mon Sep 17 00:00:00 2001 From: Marek Gluza Date: Fri, 5 Apr 2024 05:00:57 +0200 Subject: [PATCH 08/29] Committing suggestion for the name convention eval_operator -> eval_dbr_unitary --- src/qibo/models/dbi/double_bracket.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/qibo/models/dbi/double_bracket.py b/src/qibo/models/dbi/double_bracket.py index 7d03565b5d..b0f0704c9d 100644 --- a/src/qibo/models/dbi/double_bracket.py +++ b/src/qibo/models/dbi/double_bracket.py @@ -57,14 +57,14 @@ def __init__( def __call__( self, step: float, mode: DoubleBracketGeneratorType = None, d: np.array = None ): - operator = self.eval_operator(step, mode, d) + operator = self.eval_dbr_unitary(step, mode, d) operator_dagger = self.backend.cast( np.matrix(self.backend.to_numpy(operator)).getH() ) self.h.matrix = operator @ self.h.matrix @ operator_dagger return operator - def eval_operator( + def eval_dbr_unitary( self, step: float, mode: DoubleBracketGeneratorType = None, d: np.array = None ): if mode is None: From 6860a4870787fbd6b912a4a7b7667b3e27e74da5 Mon Sep 17 00:00:00 2001 From: Marek Gluza Date: Fri, 5 Apr 2024 05:50:46 +0200 Subject: [PATCH 09/29] sign conventions on top of the exposed dbr operator --- src/qibo/models/dbi/double_bracket.py | 28 ++++++++++++++++++++------- 1 file changed, 21 insertions(+), 7 deletions(-) diff --git a/src/qibo/models/dbi/double_bracket.py b/src/qibo/models/dbi/double_bracket.py index b0f0704c9d..68b9df3bde 100644 --- a/src/qibo/models/dbi/double_bracket.py +++ b/src/qibo/models/dbi/double_bracket.py @@ -57,39 +57,53 @@ def __init__( def __call__( self, step: float, mode: DoubleBracketGeneratorType = None, d: np.array = None ): + """ We use convention that $H' = U^\dagger H U$ where $U=e^{-sW}$ with $W=[D,H]$ (or depending on `mode` an approximation, see `eval_dbr_unitary`). If $s>0$ then for $D = \Delta(H)$ the GWW DBR will give a $\sigma$-decrease, see https://arxiv.org/abs/2206.11772.""" + operator = self.eval_dbr_unitary(step, mode, d) operator_dagger = self.backend.cast( np.matrix(self.backend.to_numpy(operator)).getH() ) - self.h.matrix = operator @ self.h.matrix @ operator_dagger + self.h.matrix = operator_dagger @ self.h.matrix @ operator return operator def eval_dbr_unitary( self, step: float, mode: DoubleBracketGeneratorType = None, d: np.array = None ): + """ In call we will are working in the convention that $H' = U^\dagger H U$ where $U=e^{-sW}$ with $W=[D,H]$ or an approximation of that by a group commutator. That is handy because if we switch from the DBI in the Heisenberg picture for the Hamiltonian, we get that the transformation of the state is $|\psi'\rangle = U |\psi\rangle$ so that $\langle H\rangle_{\psi'} = \langle H' \rangle_\psi$ (i.e. when writing the unitary acting on the state dagger notation is avoided). + +The group commutator must approximate $U=e^{-s[D,H]}$. This is achieved by setting $r = \sqrt{s}$ so that +$$V = e^{-irH}e^{irD}e^{irH}e^{-irD}$$ +because +$$e^{-irH}De^{irH} = D+ir[D,H]+O(r^2)$$ +so +$$V\approx e^{irD +i^2 r^2[D,H] + O(r^2) -irD} \approx U\ .$$ +See the app in https://arxiv.org/abs/2206.11772 for a derivation. + """ if mode is None: mode = self.mode if mode is DoubleBracketGeneratorType.canonical: - operator = self.backend.calculate_matrix_exp( + operator = self.backend.calculate_matrix_exp(- 1.0j * step, self.commutator(self.diagonal_h_matrix, self.h.matrix), ) elif mode is DoubleBracketGeneratorType.single_commutator: if d is None: raise_error(ValueError, f"Cannot use group_commutator with matrix {d}") - operator = self.backend.calculate_matrix_exp( + operator = self.backend.calculate_matrix_exp(- 1.0j * step, self.commutator(d, self.h.matrix), ) elif mode is DoubleBracketGeneratorType.group_commutator: if d is None: d = self.diagonal_h_matrix + + sqrt_step = np.sqrt(step) operator = ( - self.h.exp(-step) - @ self.backend.calculate_matrix_exp(-step, d) - @ self.h.exp(step) - @ self.backend.calculate_matrix_exp(step, d) + self.h.exp(-sqrt_step) + @ self.backend.calculate_matrix_exp(sqrt_step, d) + @ self.h.exp(sqrt_step) + @ self.backend.calculate_matrix_exp(-sqrt_step, d) ) return operator From 1ebe1c984ad512b852d3aa86fc969bf37ae3eee8 Mon Sep 17 00:00:00 2001 From: Marek Gluza Date: Fri, 5 Apr 2024 05:55:47 +0200 Subject: [PATCH 10/29] proposed a test of the exposed dbr unitary function --- tests/test_models_dbi.py | 14 ++++++++++++++ 1 file changed, 14 insertions(+) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index a3b22d1bbe..6c26ffa25a 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -45,6 +45,20 @@ def test_double_bracket_iteration_group_commutator(backend, nqubits): assert initial_off_diagonal_norm > dbf.off_diagonal_norm +@pytest.mark.parametrize("nqubits", [3]) +def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): + h0 = random_hermitian(2**nqubits, backend=backend) + d = backend.cast(np.diag(np.diag(backend.to_numpy(h0)))) + dbi = DoubleBracketIteration( + Hamiltonian(nqubits, h0, backend=backend), + mode=DoubleBracketGeneratorType.group_commutator, + ) + + for s in np.linspace(0,.01,NSTEPS): + u = dbi.eval_dbr_unitary(s,mode = DoubleBracketRotationType.single_commutator) + v = dbi.eval_dbr_unitary(s, mode = DoubleBracketRotationType.group_commutator) + + assert np.linalg.norm( u - v ) < 10 * s * np.linalg.norm(h0) * np.linalg.norm(d) @pytest.mark.parametrize("nqubits", [3, 4, 5]) def test_double_bracket_iteration_single_commutator(backend, nqubits): From 2f55e1942f56bf04f41d82ca023c1a29f4f0a9dc Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Fri, 5 Apr 2024 04:03:36 +0000 Subject: [PATCH 11/29] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- src/qibo/models/dbi/double_bracket.py | 30 +++++++++++++-------------- tests/test_models_dbi.py | 10 +++++---- 2 files changed, 21 insertions(+), 19 deletions(-) diff --git a/src/qibo/models/dbi/double_bracket.py b/src/qibo/models/dbi/double_bracket.py index 68b9df3bde..f6b4b7dca0 100644 --- a/src/qibo/models/dbi/double_bracket.py +++ b/src/qibo/models/dbi/double_bracket.py @@ -57,7 +57,7 @@ def __init__( def __call__( self, step: float, mode: DoubleBracketGeneratorType = None, d: np.array = None ): - """ We use convention that $H' = U^\dagger H U$ where $U=e^{-sW}$ with $W=[D,H]$ (or depending on `mode` an approximation, see `eval_dbr_unitary`). If $s>0$ then for $D = \Delta(H)$ the GWW DBR will give a $\sigma$-decrease, see https://arxiv.org/abs/2206.11772.""" + r"""We use convention that $H' = U^\dagger H U$ where $U=e^{-sW}$ with $W=[D,H]$ (or depending on `mode` an approximation, see `eval_dbr_unitary`). If $s>0$ then for $D = \Delta(H)$ the GWW DBR will give a $\sigma$-decrease, see https://arxiv.org/abs/2206.11772.""" operator = self.eval_dbr_unitary(step, mode, d) operator_dagger = self.backend.cast( @@ -69,35 +69,35 @@ def __call__( def eval_dbr_unitary( self, step: float, mode: DoubleBracketGeneratorType = None, d: np.array = None ): - """ In call we will are working in the convention that $H' = U^\dagger H U$ where $U=e^{-sW}$ with $W=[D,H]$ or an approximation of that by a group commutator. That is handy because if we switch from the DBI in the Heisenberg picture for the Hamiltonian, we get that the transformation of the state is $|\psi'\rangle = U |\psi\rangle$ so that $\langle H\rangle_{\psi'} = \langle H' \rangle_\psi$ (i.e. when writing the unitary acting on the state dagger notation is avoided). - -The group commutator must approximate $U=e^{-s[D,H]}$. This is achieved by setting $r = \sqrt{s}$ so that -$$V = e^{-irH}e^{irD}e^{irH}e^{-irD}$$ -because -$$e^{-irH}De^{irH} = D+ir[D,H]+O(r^2)$$ -so -$$V\approx e^{irD +i^2 r^2[D,H] + O(r^2) -irD} \approx U\ .$$ -See the app in https://arxiv.org/abs/2206.11772 for a derivation. + """In call we will are working in the convention that $H' = U^\\dagger H U$ where $U=e^{-sW}$ with $W=[D,H]$ or an approximation of that by a group commutator. That is handy because if we switch from the DBI in the Heisenberg picture for the Hamiltonian, we get that the transformation of the state is $|\\psi'\rangle = U |\\psi\rangle$ so that $\\langle H\rangle_{\\psi'} = \\langle H' \rangle_\\psi$ (i.e. when writing the unitary acting on the state dagger notation is avoided). + + The group commutator must approximate $U=e^{-s[D,H]}$. This is achieved by setting $r = \\sqrt{s}$ so that + $$V = e^{-irH}e^{irD}e^{irH}e^{-irD}$$ + because + $$e^{-irH}De^{irH} = D+ir[D,H]+O(r^2)$$ + so + $$V\approx e^{irD +i^2 r^2[D,H] + O(r^2) -irD} \approx U\\ .$$ + See the app in https://arxiv.org/abs/2206.11772 for a derivation. """ if mode is None: mode = self.mode if mode is DoubleBracketGeneratorType.canonical: - operator = self.backend.calculate_matrix_exp(- - 1.0j * step, + operator = self.backend.calculate_matrix_exp( + -1.0j * step, self.commutator(self.diagonal_h_matrix, self.h.matrix), ) elif mode is DoubleBracketGeneratorType.single_commutator: if d is None: raise_error(ValueError, f"Cannot use group_commutator with matrix {d}") - operator = self.backend.calculate_matrix_exp(- - 1.0j * step, + operator = self.backend.calculate_matrix_exp( + -1.0j * step, self.commutator(d, self.h.matrix), ) elif mode is DoubleBracketGeneratorType.group_commutator: if d is None: d = self.diagonal_h_matrix - + sqrt_step = np.sqrt(step) operator = ( self.h.exp(-sqrt_step) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index 6c26ffa25a..b5e781fb37 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -45,6 +45,7 @@ def test_double_bracket_iteration_group_commutator(backend, nqubits): assert initial_off_diagonal_norm > dbf.off_diagonal_norm + @pytest.mark.parametrize("nqubits", [3]) def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): h0 = random_hermitian(2**nqubits, backend=backend) @@ -54,11 +55,12 @@ def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): mode=DoubleBracketGeneratorType.group_commutator, ) - for s in np.linspace(0,.01,NSTEPS): - u = dbi.eval_dbr_unitary(s,mode = DoubleBracketRotationType.single_commutator) - v = dbi.eval_dbr_unitary(s, mode = DoubleBracketRotationType.group_commutator) + for s in np.linspace(0, 0.01, NSTEPS): + u = dbi.eval_dbr_unitary(s, mode=DoubleBracketRotationType.single_commutator) + v = dbi.eval_dbr_unitary(s, mode=DoubleBracketRotationType.group_commutator) + + assert np.linalg.norm(u - v) < 10 * s * np.linalg.norm(h0) * np.linalg.norm(d) - assert np.linalg.norm( u - v ) < 10 * s * np.linalg.norm(h0) * np.linalg.norm(d) @pytest.mark.parametrize("nqubits", [3, 4, 5]) def test_double_bracket_iteration_single_commutator(backend, nqubits): From 3eb7029d671a1b799093646148347b1cf4eda8d1 Mon Sep 17 00:00:00 2001 From: Marek Gluza Date: Fri, 5 Apr 2024 08:02:35 +0200 Subject: [PATCH 12/29] improving the bound implementation --- tests/test_models_dbi.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index 6c26ffa25a..61bc6aadaa 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -47,6 +47,7 @@ def test_double_bracket_iteration_group_commutator(backend, nqubits): @pytest.mark.parametrize("nqubits", [3]) def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): + """ The bound is $$||e^{-[D,H]}-GC||\le s^{3/2}(||[H,[D,H]||+||[D,[D,H]]||$$""" h0 = random_hermitian(2**nqubits, backend=backend) d = backend.cast(np.diag(np.diag(backend.to_numpy(h0)))) dbi = DoubleBracketIteration( @@ -58,7 +59,7 @@ def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): u = dbi.eval_dbr_unitary(s,mode = DoubleBracketRotationType.single_commutator) v = dbi.eval_dbr_unitary(s, mode = DoubleBracketRotationType.group_commutator) - assert np.linalg.norm( u - v ) < 10 * s * np.linalg.norm(h0) * np.linalg.norm(d) + assert np.linalg.norm( u - v ) < 10 * s**(1.49) ( np.linalg.norm(h0) + np.linalg.norm(d)) * np.linalg.norm(h0) * np.linalg.norm(d) @pytest.mark.parametrize("nqubits", [3, 4, 5]) def test_double_bracket_iteration_single_commutator(backend, nqubits): From 42c1c929f66711f6e6200bf8b1a5551c74ebedf6 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Fri, 5 Apr 2024 06:04:50 +0000 Subject: [PATCH 13/29] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- tests/test_models_dbi.py | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index eb5db84dc8..e6f9a9dd4f 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -48,7 +48,7 @@ def test_double_bracket_iteration_group_commutator(backend, nqubits): @pytest.mark.parametrize("nqubits", [3]) def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): - """ The bound is $$||e^{-[D,H]}-GC||\le s^{3/2}(||[H,[D,H]||+||[D,[D,H]]||$$""" + r"""The bound is $$||e^{-[D,H]}-GC||\le s^{3/2}(||[H,[D,H]||+||[D,[D,H]]||$$""" h0 = random_hermitian(2**nqubits, backend=backend) d = backend.cast(np.diag(np.diag(backend.to_numpy(h0)))) dbi = DoubleBracketIteration( @@ -60,7 +60,10 @@ def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): u = dbi.eval_dbr_unitary(s, mode=DoubleBracketRotationType.single_commutator) v = dbi.eval_dbr_unitary(s, mode=DoubleBracketRotationType.group_commutator) - assert np.linalg.norm( u - v ) < 10 * s**(1.49) ( np.linalg.norm(h0) + np.linalg.norm(d)) * np.linalg.norm(h0) * np.linalg.norm(d) + assert np.linalg.norm(u - v) < 10 * s ** (1.49)( + np.linalg.norm(h0) + np.linalg.norm(d) + ) * np.linalg.norm(h0) * np.linalg.norm(d) + @pytest.mark.parametrize("nqubits", [3, 4, 5]) def test_double_bracket_iteration_single_commutator(backend, nqubits): From 18517e852041e140614c6bd273823fd26984a366 Mon Sep 17 00:00:00 2001 From: Marek Gluza Date: Fri, 5 Apr 2024 09:24:29 +0200 Subject: [PATCH 14/29] Fixing the type which was already set for a future convention --- tests/test_models_dbi.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index e6f9a9dd4f..8ca7fef077 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -57,8 +57,8 @@ def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): ) for s in np.linspace(0, 0.01, NSTEPS): - u = dbi.eval_dbr_unitary(s, mode=DoubleBracketRotationType.single_commutator) - v = dbi.eval_dbr_unitary(s, mode=DoubleBracketRotationType.group_commutator) + u = dbi.eval_dbr_unitary(s, mode=DoubleBracketGeneratorType.single_commutator) + v = dbi.eval_dbr_unitary(s, mode=DoubleBracketGeneratorType.group_commutator) assert np.linalg.norm(u - v) < 10 * s ** (1.49)( np.linalg.norm(h0) + np.linalg.norm(d) From 8cba7ad51773290e8103f16191aaeca5bb78551e Mon Sep 17 00:00:00 2001 From: Marek Gluza Date: Fri, 5 Apr 2024 09:39:16 +0200 Subject: [PATCH 15/29] fixing typo in test file --- tests/test_models_dbi.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index 8ca7fef077..7b5249566b 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -60,7 +60,7 @@ def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): u = dbi.eval_dbr_unitary(s, mode=DoubleBracketGeneratorType.single_commutator) v = dbi.eval_dbr_unitary(s, mode=DoubleBracketGeneratorType.group_commutator) - assert np.linalg.norm(u - v) < 10 * s ** (1.49)( + assert np.linalg.norm(u - v) < 10 * s ** 1.49 * ( np.linalg.norm(h0) + np.linalg.norm(d) ) * np.linalg.norm(h0) * np.linalg.norm(d) From 0e281b4972b03e5813aab2995b53c49ec030e2ea Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Fri, 5 Apr 2024 07:39:47 +0000 Subject: [PATCH 16/29] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- tests/test_models_dbi.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index 7b5249566b..e700929f3f 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -60,7 +60,7 @@ def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): u = dbi.eval_dbr_unitary(s, mode=DoubleBracketGeneratorType.single_commutator) v = dbi.eval_dbr_unitary(s, mode=DoubleBracketGeneratorType.group_commutator) - assert np.linalg.norm(u - v) < 10 * s ** 1.49 * ( + assert np.linalg.norm(u - v) < 10 * s**1.49 * ( np.linalg.norm(h0) + np.linalg.norm(d) ) * np.linalg.norm(h0) * np.linalg.norm(d) From 6871133093c296c0e92b4d2d1beb94bebc1c4cf2 Mon Sep 17 00:00:00 2001 From: Marek Gluza Date: Fri, 5 Apr 2024 09:40:44 +0200 Subject: [PATCH 17/29] now the test should run otherwise it entered into 0<0 --- tests/test_models_dbi.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index 7b5249566b..5faa22757c 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -56,7 +56,7 @@ def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): mode=DoubleBracketGeneratorType.group_commutator, ) - for s in np.linspace(0, 0.01, NSTEPS): + for s in np.linspace(0.001, 0.01, NSTEPS): u = dbi.eval_dbr_unitary(s, mode=DoubleBracketGeneratorType.single_commutator) v = dbi.eval_dbr_unitary(s, mode=DoubleBracketGeneratorType.group_commutator) From 34405cb600e0f40886a7cdb8ca5e29c1965a4eea Mon Sep 17 00:00:00 2001 From: Marek Gluza Date: Fri, 5 Apr 2024 09:48:40 +0200 Subject: [PATCH 18/29] passing the d argument in the test --- tests/test_models_dbi.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index 723dc590a6..3038651fd3 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -57,8 +57,8 @@ def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): ) for s in np.linspace(0.001, 0.01, NSTEPS): - u = dbi.eval_dbr_unitary(s, mode=DoubleBracketGeneratorType.single_commutator) - v = dbi.eval_dbr_unitary(s, mode=DoubleBracketGeneratorType.group_commutator) + u = dbi.eval_dbr_unitary(s,d=d, mode=DoubleBracketGeneratorType.single_commutator) + v = dbi.eval_dbr_unitary(s,d=d, mode=DoubleBracketGeneratorType.group_commutator) assert np.linalg.norm(u - v) < 10 * s**1.49 * ( np.linalg.norm(h0) + np.linalg.norm(d) From 03ca52ce8f2ae76eca7ace6e167a842a09dd4a98 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Fri, 5 Apr 2024 07:49:39 +0000 Subject: [PATCH 19/29] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- tests/test_models_dbi.py | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index 3038651fd3..8b4352c80b 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -57,8 +57,12 @@ def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): ) for s in np.linspace(0.001, 0.01, NSTEPS): - u = dbi.eval_dbr_unitary(s,d=d, mode=DoubleBracketGeneratorType.single_commutator) - v = dbi.eval_dbr_unitary(s,d=d, mode=DoubleBracketGeneratorType.group_commutator) + u = dbi.eval_dbr_unitary( + s, d=d, mode=DoubleBracketGeneratorType.single_commutator + ) + v = dbi.eval_dbr_unitary( + s, d=d, mode=DoubleBracketGeneratorType.group_commutator + ) assert np.linalg.norm(u - v) < 10 * s**1.49 * ( np.linalg.norm(h0) + np.linalg.norm(d) From d924465c1cf40eb619cff3b7059ce36b6b91c380 Mon Sep 17 00:00:00 2001 From: Sam-XiaoyueLi Date: Mon, 8 Apr 2024 11:04:49 +0800 Subject: [PATCH 20/29] Remove raise error in test_models_dbi.py --- tests/test_models_dbi.py | 16 +++++++--------- 1 file changed, 7 insertions(+), 9 deletions(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index 8b4352c80b..3b0c169345 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -10,6 +10,7 @@ from qibo.quantum_info import random_hermitian NSTEPS = 50 +seed = 10 """Number of steps for evolution.""" @@ -27,23 +28,20 @@ def test_double_bracket_iteration_canonical(backend, nqubits): assert initial_off_diagonal_norm > dbf.off_diagonal_norm -@pytest.mark.parametrize("nqubits", [3, 4, 5]) +@pytest.mark.parametrize("nqubits", [1, 2]) def test_double_bracket_iteration_group_commutator(backend, nqubits): - h0 = random_hermitian(2**nqubits, backend=backend) + h0 = random_hermitian(2**nqubits, backend=backend, seed=seed) d = backend.cast(np.diag(np.diag(backend.to_numpy(h0)))) - dbf = DoubleBracketIteration( + dbi = DoubleBracketIteration( Hamiltonian(nqubits, h0, backend=backend), mode=DoubleBracketGeneratorType.group_commutator, ) - initial_off_diagonal_norm = dbf.off_diagonal_norm - - with pytest.raises(ValueError): - dbf(mode=DoubleBracketGeneratorType.group_commutator, step=0.01) + initial_off_diagonal_norm = dbi.off_diagonal_norm for _ in range(NSTEPS): - dbf(step=0.01, d=d) + dbi(step=0.01, d=d) - assert initial_off_diagonal_norm > dbf.off_diagonal_norm + assert initial_off_diagonal_norm > dbi.off_diagonal_norm @pytest.mark.parametrize("nqubits", [3]) From 051240ee1df3d441f33b0cca7e4cf47c356d43b4 Mon Sep 17 00:00:00 2001 From: Sam-XiaoyueLi Date: Mon, 8 Apr 2024 11:32:01 +0800 Subject: [PATCH 21/29] Remove "prints" comment in utils.py --- src/qibo/models/dbi/utils.py | 2 -- 1 file changed, 2 deletions(-) diff --git a/src/qibo/models/dbi/utils.py b/src/qibo/models/dbi/utils.py index 02e95bbe28..6a38f043b4 100644 --- a/src/qibo/models/dbi/utils.py +++ b/src/qibo/models/dbi/utils.py @@ -115,11 +115,9 @@ def select_best_dbr_generator( dbi_object(step=step) optimal_steps.append(step) norms_off_diagonal_restriction.append(dbi_object.off_diagonal_norm) - # print(f'canonical step {step}, loss {dbi_object.off_diagonal_norm}') dbi_object.h = deepcopy(h_before) dbi_object.mode = generator_type # find best d - # print(norms_off_diagonal_restriction) idx_max_loss = norms_off_diagonal_restriction.index( min(norms_off_diagonal_restriction) ) From 09614bea650b2fb319708bf9624f9ad3d5ff7253 Mon Sep 17 00:00:00 2001 From: Sam-XiaoyueLi Date: Mon, 8 Apr 2024 17:59:23 +0800 Subject: [PATCH 22/29] correct sign in eval_dbr_unitaruy (double_bracket.py) - calculate_matrix_exp contains -1j --- src/qibo/models/dbi/double_bracket.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/qibo/models/dbi/double_bracket.py b/src/qibo/models/dbi/double_bracket.py index f6b4b7dca0..f5e44d535e 100644 --- a/src/qibo/models/dbi/double_bracket.py +++ b/src/qibo/models/dbi/double_bracket.py @@ -100,10 +100,10 @@ def eval_dbr_unitary( sqrt_step = np.sqrt(step) operator = ( - self.h.exp(-sqrt_step) - @ self.backend.calculate_matrix_exp(sqrt_step, d) - @ self.h.exp(sqrt_step) + self.h.exp(sqrt_step) @ self.backend.calculate_matrix_exp(-sqrt_step, d) + @ self.h.exp(-sqrt_step) + @ self.backend.calculate_matrix_exp(sqrt_step, d) ) return operator From f2236cbac5e301ea52fa23e38ba203c6d8400343 Mon Sep 17 00:00:00 2001 From: Marek Gluza Date: Mon, 8 Apr 2024 12:17:10 +0200 Subject: [PATCH 23/29] Update tests/test_models_dbi.py Co-authored-by: Andrea Pasquale --- tests/test_models_dbi.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index 3b0c169345..68bba49cbd 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -10,7 +10,7 @@ from qibo.quantum_info import random_hermitian NSTEPS = 50 -seed = 10 +SEED = 10 """Number of steps for evolution.""" From fba400b113fab16c30b2a25b924a5a76313ba296 Mon Sep 17 00:00:00 2001 From: Marek Gluza Date: Mon, 8 Apr 2024 12:17:34 +0200 Subject: [PATCH 24/29] Update tests/test_models_dbi.py Co-authored-by: Andrea Pasquale --- tests/test_models_dbi.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index 68bba49cbd..9732e04323 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -30,7 +30,7 @@ def test_double_bracket_iteration_canonical(backend, nqubits): @pytest.mark.parametrize("nqubits", [1, 2]) def test_double_bracket_iteration_group_commutator(backend, nqubits): - h0 = random_hermitian(2**nqubits, backend=backend, seed=seed) + h0 = random_hermitian(2**nqubits, backend=backend, seed=SEED) d = backend.cast(np.diag(np.diag(backend.to_numpy(h0)))) dbi = DoubleBracketIteration( Hamiltonian(nqubits, h0, backend=backend), From eb02d786b11835b5c30c037b52aef8337a0d67ce Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue, 23 Apr 2024 08:48:28 +0000 Subject: [PATCH 25/29] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- tests/test_models_dbi.py | 1 - 1 file changed, 1 deletion(-) diff --git a/tests/test_models_dbi.py b/tests/test_models_dbi.py index d5d7fc4084..4e17fa2009 100644 --- a/tests/test_models_dbi.py +++ b/tests/test_models_dbi.py @@ -71,7 +71,6 @@ def test_double_bracket_iteration_eval_dbr_unitary(backend, nqubits): ) * np.linalg.norm(h0) * np.linalg.norm(d) - @pytest.mark.parametrize("nqubits", [1, 2]) def test_double_bracket_iteration_single_commutator(backend, nqubits): h0 = random_hermitian(2**nqubits, backend=backend) From bf1c8fb35c4e0f7a51449e513478d50c8f17b28d Mon Sep 17 00:00:00 2001 From: Edoardo-Pedicillo Date: Tue, 23 Apr 2024 15:55:40 +0400 Subject: [PATCH 26/29] fix: remove not used variables --- src/qibo/models/dbi/utils.py | 2 -- 1 file changed, 2 deletions(-) diff --git a/src/qibo/models/dbi/utils.py b/src/qibo/models/dbi/utils.py index b8f1c9aaa9..79bb41db7c 100644 --- a/src/qibo/models/dbi/utils.py +++ b/src/qibo/models/dbi/utils.py @@ -136,8 +136,6 @@ def select_best_dbr_generator( dbi_object(step=step) optimal_steps.append(step) norms_off_diagonal_restriction.append(dbi_object.off_diagonal_norm) - dbi_object.h = deepcopy(h_before) - dbi_object.mode = generator_type # find best d idx_max_loss = norms_off_diagonal_restriction.index( min(norms_off_diagonal_restriction) From 135d733fe23a037fe46c77cbc68dae31dad5be7a Mon Sep 17 00:00:00 2001 From: Edoardo-Pedicillo Date: Tue, 23 Apr 2024 16:35:28 +0400 Subject: [PATCH 27/29] test: remove the case step = None in test_select_best_dbr_generator because test time to slow --- tests/test_models_dbi_utils.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_models_dbi_utils.py b/tests/test_models_dbi_utils.py index 334647c5b3..9f55171547 100644 --- a/tests/test_models_dbi_utils.py +++ b/tests/test_models_dbi_utils.py @@ -32,7 +32,7 @@ def test_generate_Z_operators(backend, nqubits): @pytest.mark.parametrize("nqubits", [1, 2]) -@pytest.mark.parametrize("step", [0.1, None]) +@pytest.mark.parametrize("step", [0.1, 0.2]) def test_select_best_dbr_generator(backend, nqubits, step): h0 = random_hermitian(2**nqubits, seed=1, backend=backend) dbi = DoubleBracketIteration( From c05fab3e1f5e56e8e3c06cd169d8f64a3e9b7506 Mon Sep 17 00:00:00 2001 From: Edoardo-Pedicillo Date: Tue, 23 Apr 2024 17:57:04 +0400 Subject: [PATCH 28/29] refactor: use h2 expectation instead of the backend one --- src/qibo/hamiltonians/hamiltonians.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/qibo/hamiltonians/hamiltonians.py b/src/qibo/hamiltonians/hamiltonians.py index 8e17e88fbb..3deeab8073 100644 --- a/src/qibo/hamiltonians/hamiltonians.py +++ b/src/qibo/hamiltonians/hamiltonians.py @@ -180,7 +180,7 @@ def energy_fluctuation(self, state): energy = self.expectation(state) h = self.matrix h2 = Hamiltonian(nqubits=self.nqubits, matrix=h @ h, backend=self.backend) - average_h2 = self.backend.calculate_expectation_state(h2, state, normalize=True) + average_h2 = h2.expectation( state, normalize=True) return np.sqrt(np.abs(average_h2 - energy**2)) def __add__(self, o): From d9fb54c898169ddf8278b27c146708055a04a3ff Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue, 23 Apr 2024 13:57:56 +0000 Subject: [PATCH 29/29] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- src/qibo/hamiltonians/hamiltonians.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/qibo/hamiltonians/hamiltonians.py b/src/qibo/hamiltonians/hamiltonians.py index 3deeab8073..13366aa101 100644 --- a/src/qibo/hamiltonians/hamiltonians.py +++ b/src/qibo/hamiltonians/hamiltonians.py @@ -180,7 +180,7 @@ def energy_fluctuation(self, state): energy = self.expectation(state) h = self.matrix h2 = Hamiltonian(nqubits=self.nqubits, matrix=h @ h, backend=self.backend) - average_h2 = h2.expectation( state, normalize=True) + average_h2 = h2.expectation(state, normalize=True) return np.sqrt(np.abs(average_h2 - energy**2)) def __add__(self, o):