def test_vqe_2_iqpe(self):
""" vqe to iqpe test """
backend = BasicAer.get_backend('qasm_simulator')
num_qbits = self.qubit_op.num_qubits
wavefunction = TwoLocal(num_qbits, ['ry', 'rz'],
'cz',
reps=3,
insert_barriers=True)
optimizer = SPSA(maxiter=10)
algo = VQE(self.qubit_op, wavefunction, optimizer)
quantum_instance = QuantumInstance(backend,
seed_simulator=self.seed,
seed_transpiler=self.seed)
result = algo.run(quantum_instance)
self.log.debug('VQE result: %s.', result)
ref_eigenval = -1.85727503 # Known reference value
num_time_slices = 1
num_iterations = 6
param_dict = result.optimal_parameters
state_in = VarFormBased(wavefunction, param_dict)
iqpe = IQPE(self.qubit_op,
state_in,
num_time_slices,
num_iterations,
expansion_mode='suzuki',
expansion_order=2,
shallow_circuit_concat=True)
quantum_instance = QuantumInstance(backend,
shots=100,
seed_transpiler=self.seed,
seed_simulator=self.seed)
result = iqpe.run(quantum_instance)
self.log.debug('top result str label: %s',
result.top_measurement_label)
self.log.debug('top result in decimal: %s',
result.top_measurement_decimal)
self.log.debug('stretch: %s', result.stretch)
self.log.debug('translation: %s', result.translation)
self.log.debug('final eigenvalue from QPE: %s', result.eigenvalue)
self.log.debug('reference eigenvalue: %s', ref_eigenval)
self.log.debug('ref eigenvalue (transformed): %s',
(ref_eigenval + result.translation) * result.stretch)
self.log.debug(
'reference binary str label: %s',
decimal_to_binary(
(ref_eigenval.real + result.translation) * result.stretch,
max_num_digits=num_iterations + 3,
fractional_part_only=True))
self.assertAlmostEqual(result.eigenvalue.real,
ref_eigenval.real,
delta=1e-2)
def test_vqe_2_iqpe(self):
""" vqe to iqpe test """
backend = BasicAer.get_backend('qasm_simulator')
num_qbits = self.algo_input.qubit_op.num_qubits
var_form = RYRZ(num_qbits, 3)
optimizer = SPSA(max_trials=10)
# optimizer.set_options(**{'max_trials': 500})
algo = VQE(self.algo_input.qubit_op, var_form, optimizer)
quantum_instance = QuantumInstance(backend,
seed_simulator=self.seed,
seed_transpiler=self.seed)
result = algo.run(quantum_instance)
self.log.debug('VQE result: %s.', result)
ref_eigenval = -1.85727503
num_time_slices = 1
num_iterations = 6
state_in = VarFormBased(var_form, result['opt_params'])
iqpe = IQPE(self.algo_input.qubit_op,
state_in,
num_time_slices,
num_iterations,
expansion_mode='suzuki',
expansion_order=2,
shallow_circuit_concat=True)
quantum_instance = QuantumInstance(backend,
shots=100,
seed_transpiler=self.seed,
seed_simulator=self.seed)
result = iqpe.run(quantum_instance)
self.log.debug('top result str label: %s',
result['top_measurement_label'])
self.log.debug('top result in decimal: %s',
result['top_measurement_decimal'])
self.log.debug('stretch: %s', result['stretch'])
self.log.debug('translation: %s',
result['translation'])
self.log.debug('final eigenvalue from QPE: %s', result['energy'])
self.log.debug('reference eigenvalue: %s', ref_eigenval)
self.log.debug('ref eigenvalue (transformed): %s',
(ref_eigenval + result['translation']) *
result['stretch'])
self.log.debug(
'reference binary str label: %s',
decimal_to_binary(
(ref_eigenval + result['translation']) * result['stretch'],
max_num_digits=num_iterations + 3,
fractional_part_only=True))
np.testing.assert_approx_equal(result['energy'],
ref_eigenval,
significant=2)
def cb_create_solver(num_particles, num_orbitals,
qubit_mapping, two_qubit_reduction, z2_symmetries):
state_in = HartreeFock(num_orbitals, num_particles, qubit_mapping,
two_qubit_reduction, z2_symmetries.sq_list)
iqpe = IQPE(None, state_in, num_time_slices=1, num_iterations=6,
expansion_mode='suzuki', expansion_order=2,
shallow_circuit_concat=True)
iqpe.quantum_instance = QuantumInstance(BasicAer.get_backend('qasm_simulator'),
shots=100)
return iqpe
def test_iqpe(self, qubitOp, simulator):
self.algorithm = 'IQPE'
self.log.debug('Testing IQPE')
self.qubitOp = qubitOp
exact_eigensolver = ExactEigensolver(self.qubitOp, k=1)
results = exact_eigensolver.run()
w = results['eigvals']
v = results['eigvecs']
self.qubitOp.to_matrix()
np.testing.assert_almost_equal(
self.qubitOp.matrix @ v[0],
w[0] * v[0]
)
np.testing.assert_almost_equal(
expm(-1.j * sparse.csc_matrix(self.qubitOp.matrix)) @ v[0],
np.exp(-1.j * w[0]) * v[0]
)
self.ref_eigenval = w[0]
self.ref_eigenvec = v[0]
self.log.debug('The exact eigenvalue is: {}'.format(self.ref_eigenval))
self.log.debug('The corresponding eigenvector: {}'.format(self.ref_eigenvec))
num_time_slices = 50
num_iterations = 6
state_in = Custom(self.qubitOp.num_qubits, state_vector=self.ref_eigenvec)
iqpe = IQPE(self.qubitOp, state_in, num_time_slices, num_iterations,
expansion_mode='suzuki', expansion_order=2, shallow_circuit_concat=True)
backend = get_aer_backend(simulator)
run_config = RunConfig(shots=100, max_credits=10, memory=False)
quantum_instance = QuantumInstance(backend, run_config, pass_manager=PassManager())
result = iqpe.run(quantum_instance)
self.log.debug('top result str label: {}'.format(result['top_measurement_label']))
self.log.debug('top result in decimal: {}'.format(result['top_measurement_decimal']))
self.log.debug('stretch: {}'.format(result['stretch']))
self.log.debug('translation: {}'.format(result['translation']))
self.log.debug('final eigenvalue from IQPE: {}'.format(result['energy']))
self.log.debug('reference eigenvalue: {}'.format(self.ref_eigenval))
self.log.debug('ref eigenvalue (transformed): {}'.format(
(self.ref_eigenval + result['translation']) * result['stretch'])
)
self.log.debug('reference binary str label: {}'.format(decimal_to_binary(
(self.ref_eigenval.real + result['translation']) * result['stretch'],
max_num_digits=num_iterations + 3,
fractional_part_only=True
)))
np.testing.assert_approx_equal(result['energy'], self.ref_eigenval.real, significant=2)
def test_iqpe(self, qubit_op, simulator, num_time_slices, num_iterations):
self.algorithm = 'IQPE'
self.log.debug('Testing IQPE')
self.qubit_op = qubit_op
exact_eigensolver = ExactEigensolver(self.qubit_op, k=1)
results = exact_eigensolver.run()
self.ref_eigenval = results['eigvals'][0]
self.ref_eigenvec = results['eigvecs'][0]
self.log.debug('The exact eigenvalue is: {}'.format(
self.ref_eigenval))
self.log.debug('The corresponding eigenvector: {}'.format(
self.ref_eigenvec))
state_in = Custom(self.qubit_op.num_qubits,
state_vector=self.ref_eigenvec)
iqpe = IQPE(self.qubit_op,
state_in,
num_time_slices,
num_iterations,
expansion_mode='suzuki',
expansion_order=2,
shallow_circuit_concat=True)
backend = BasicAer.get_backend(simulator)
quantum_instance = QuantumInstance(backend, shots=100)
result = iqpe.run(quantum_instance)
self.log.debug('top result str label: {}'.format(
result['top_measurement_label']))
self.log.debug('top result in decimal: {}'.format(
result['top_measurement_decimal']))
self.log.debug('stretch: {}'.format(
result['stretch']))
self.log.debug('translation: {}'.format(
result['translation']))
self.log.debug('final eigenvalue from IQPE: {}'.format(
result['energy']))
self.log.debug('reference eigenvalue: {}'.format(
self.ref_eigenval))
self.log.debug('ref eigenvalue (transformed): {}'.format(
(self.ref_eigenval + result['translation']) * result['stretch']))
self.log.debug('reference binary str label: {}'.format(
decimal_to_binary(
(self.ref_eigenval.real + result['translation']) *
result['stretch'],
max_num_digits=num_iterations + 3,
fractional_part_only=True)))
np.testing.assert_approx_equal(result['energy'],
self.ref_eigenval.real,
significant=2)
def test_vqe_2_iqpe(self):
backend = get_aer_backend('qasm_simulator')
num_qbits = self.algo_input.qubit_op.num_qubits
var_form = RYRZ(num_qbits, 3)
optimizer = SPSA(max_trials=10)
# optimizer.set_options(**{'max_trials': 500})
algo = VQE(self.algo_input.qubit_op, var_form, optimizer, 'paulis')
quantum_instance = QuantumInstance(backend)
result = algo.run(quantum_instance)
self.log.debug('VQE result: {}.'.format(result))
self.ref_eigenval = -1.85727503
num_time_slices = 50
num_iterations = 11
state_in = VarFormBased(var_form, result['opt_params'])
iqpe = IQPE(self.algo_input.qubit_op,
state_in,
num_time_slices,
num_iterations,
expansion_mode='suzuki',
expansion_order=2,
shallow_circuit_concat=True)
quantum_instance = QuantumInstance(backend,
shots=100,
pass_manager=PassManager(),
seed_mapper=self.random_seed)
result = iqpe.run(quantum_instance)
self.log.debug('top result str label: {}'.format(
result['top_measurement_label']))
self.log.debug('top result in decimal: {}'.format(
result['top_measurement_decimal']))
self.log.debug('stretch: {}'.format(
result['stretch']))
self.log.debug('translation: {}'.format(
result['translation']))
self.log.debug('final eigenvalue from QPE: {}'.format(
result['energy']))
self.log.debug('reference eigenvalue: {}'.format(
self.ref_eigenval))
self.log.debug('ref eigenvalue (transformed): {}'.format(
(self.ref_eigenval + result['translation']) * result['stretch']))
self.log.debug('reference binary str label: {}'.format(
decimal_to_binary((self.ref_eigenval + result['translation']) *
result['stretch'],
max_num_digits=num_iterations + 3,
fractional_part_only=True)))
np.testing.assert_approx_equal(self.ref_eigenval,
result['energy'],
significant=2)
def test_iqpe(self, distance):
""" iqpe test """
self.log.debug('Testing End-to-End with IQPE on H2 with '
'inter-atomic distance %s.', distance)
try:
driver = PySCFDriver(atom='H .0 .0 .0; H .0 .0 {}'.format(distance),
unit=UnitsType.ANGSTROM,
charge=0,
spin=0,
basis='sto3g')
except QiskitChemistryError:
self.skipTest('PYSCF driver does not appear to be installed')
molecule = driver.run()
qubit_mapping = 'parity'
fer_op = FermionicOperator(h1=molecule.one_body_integrals,
h2=molecule.two_body_integrals)
qubit_op = fer_op.mapping(map_type=qubit_mapping, threshold=1e-10)
qubit_op = Z2Symmetries.two_qubit_reduction(qubit_op, 2)
exact_eigensolver = NumPyMinimumEigensolver(qubit_op)
results = exact_eigensolver.run()
reference_energy = results.eigenvalue.real
self.log.debug('The exact ground state energy is: %s', results.eigenvalue.real)
num_particles = molecule.num_alpha + molecule.num_beta
two_qubit_reduction = True
num_orbitals = qubit_op.num_qubits + (2 if two_qubit_reduction else 0)
num_time_slices = 1
num_iterations = 6
state_in = HartreeFock(num_orbitals, num_particles, qubit_mapping, two_qubit_reduction)
iqpe = IQPE(qubit_op, state_in, num_time_slices, num_iterations,
expansion_mode='suzuki', expansion_order=2,
shallow_circuit_concat=True)
backend = qiskit.BasicAer.get_backend('qasm_simulator')
quantum_instance = QuantumInstance(backend, shots=100)
result = iqpe.run(quantum_instance)
self.log.debug('top result str label: %s', result.top_measurement_label)
self.log.debug('top result in decimal: %s', result.top_measurement_decimal)
self.log.debug('stretch: %s', result.stretch)
self.log.debug('translation: %s', result.translation)
self.log.debug('final energy from QPE: %s', result.eigenvalue.real)
self.log.debug('reference energy: %s', reference_energy)
self.log.debug('ref energy (transformed): %s',
(reference_energy + result.translation) * result.stretch)
self.log.debug('ref binary str label: %s', decimal_to_binary(
(reference_energy + result.translation) * result.stretch,
max_num_digits=num_iterations + 3,
fractional_part_only=True
))
np.testing.assert_approx_equal(result.eigenvalue.real, reference_energy, significant=2)
def test_iqpe(self, qubit_op, simulator, num_time_slices, num_iterations,
use_circuits):
""" iqpe test """
self.log.debug('Testing IQPE')
qubit_op = self._dict[qubit_op]
exact_eigensolver = NumPyMinimumEigensolver(qubit_op)
results = exact_eigensolver.run()
ref_eigenval = results.eigenvalue
ref_eigenvec = results.eigenstate
self.log.debug('The exact eigenvalue is: %s', ref_eigenval)
self.log.debug('The corresponding eigenvector: %s', ref_eigenvec)
if use_circuits:
state_in = QuantumCircuit(qubit_op.num_qubits)
state_in.initialize(ref_eigenvec.primitive.data, state_in.qubits)
else:
with warnings.catch_warnings():
warnings.filterwarnings('ignore', category=DeprecationWarning)
state_in = Custom(qubit_op.num_qubits,
state_vector=ref_eigenvec)
iqpe = IQPE(qubit_op,
state_in,
num_time_slices,
num_iterations,
expansion_mode='suzuki',
expansion_order=2,
shallow_circuit_concat=True)
backend = BasicAer.get_backend(simulator)
quantum_instance = QuantumInstance(backend, shots=100)
result = iqpe.run(quantum_instance)
self.log.debug('top result str label: %s',
result.top_measurement_label)
self.log.debug('top result in decimal: %s',
result.top_measurement_decimal)
self.log.debug('stretch: %s', result.stretch)
self.log.debug('translation: %s', result.translation)
self.log.debug('final eigenvalue from IQPE: %s', result.eigenvalue)
self.log.debug('reference eigenvalue: %s', ref_eigenval)
self.log.debug('ref eigenvalue (transformed): %s',
(ref_eigenval.real + result.translation) *
result.stretch)
self.log.debug(
'reference binary str label: %s',
decimal_to_binary(
(ref_eigenval.real + result.translation) * result.stretch,
max_num_digits=num_iterations + 3,
fractional_part_only=True))
np.testing.assert_approx_equal(result.eigenvalue.real,
ref_eigenval.real,
significant=2)
def test_vqe_2_iqpe(self, wavefunction_type):
""" vqe to iqpe test """
backend = BasicAer.get_backend('qasm_simulator')
num_qbits = self.qubit_op.num_qubits
if wavefunction_type == 'wrapped':
warnings.filterwarnings('ignore', category=DeprecationWarning)
wavefunction = RYRZ(num_qbits, 3)
else:
wavefunction = TwoLocal(num_qbits, ['ry', 'rz'],
'cz',
reps=3,
insert_barriers=True)
theta = ParameterVector('theta', wavefunction.num_parameters)
wavefunction.assign_parameters(theta, inplace=True)
if wavefunction_type == 'circuit':
wavefunction = QuantumCircuit(num_qbits).compose(wavefunction)
optimizer = SPSA(max_trials=10)
algo = VQE(self.qubit_op, wavefunction, optimizer)
if wavefunction_type == 'wrapped':
warnings.filterwarnings('always', category=DeprecationWarning)
quantum_instance = QuantumInstance(backend,
seed_simulator=self.seed,
seed_transpiler=self.seed)
result = algo.run(quantum_instance)
self.log.debug('VQE result: %s.', result)
ref_eigenval = -1.85727503 # Known reference value
num_time_slices = 1
num_iterations = 6
if wavefunction_type == 'wrapped':
param_dict = result.optimal_point
else:
param_dict = result.optimal_parameters
state_in = VarFormBased(wavefunction, param_dict)
iqpe = IQPE(self.qubit_op,
state_in,
num_time_slices,
num_iterations,
expansion_mode='suzuki',
expansion_order=2,
shallow_circuit_concat=True)
quantum_instance = QuantumInstance(backend,
shots=100,
seed_transpiler=self.seed,
seed_simulator=self.seed)
result = iqpe.run(quantum_instance)
self.log.debug('top result str label: %s',
result.top_measurement_label)
self.log.debug('top result in decimal: %s',
result.top_measurement_decimal)
self.log.debug('stretch: %s', result.stretch)
self.log.debug('translation: %s', result.translation)
self.log.debug('final eigenvalue from QPE: %s', result.eigenvalue)
self.log.debug('reference eigenvalue: %s', ref_eigenval)
self.log.debug('ref eigenvalue (transformed): %s',
(ref_eigenval + result.translation) * result.stretch)
self.log.debug(
'reference binary str label: %s',
decimal_to_binary(
(ref_eigenval.real + result.translation) * result.stretch,
max_num_digits=num_iterations + 3,
fractional_part_only=True))
np.testing.assert_approx_equal(result.eigenvalue.real,
ref_eigenval,
significant=2)
