def setUp(self) -> None:
super().setUp()
self.seed = 97
backend = Aer.get_backend('qasm_simulator')
q_instance = QuantumInstance(backend,
seed_simulator=self.seed,
seed_transpiler=self.seed)
self.sampler = CircuitSampler(q_instance, attach_results=True)
self.expect = AerPauliExpectation()
def setUp(self) -> None:
super().setUp()
try:
from qiskit import Aer
self.seed = 97
self.backend = Aer.get_backend('qasm_simulator')
q_instance = QuantumInstance(self.backend, seed_simulator=self.seed,
seed_transpiler=self.seed)
self.sampler = CircuitSampler(q_instance, attach_results=True)
self.expect = AerPauliExpectation()
except Exception as ex: # pylint: disable=broad-except
self.skipTest("Aer doesn't appear to be installed. Error: '{}'".format(str(ex)))
return
def test_vqe_expectation_select(self):
"""Test expectation selection with Aer's qasm_simulator."""
try:
# pylint: disable=import-outside-toplevel
from qiskit import Aer
except Exception as ex: # pylint: disable=broad-except
self.skipTest(
"Aer doesn't appear to be installed. Error: '{}'".format(
str(ex)))
return
backend = Aer.get_backend('qasm_simulator')
with self.subTest('Defaults'):
vqe = VQE(self.h2_op, quantum_instance=backend)
self.assertIsInstance(vqe.expectation, PauliExpectation)
with self.subTest('Include custom'):
vqe = VQE(self.h2_op,
include_custom=True,
quantum_instance=backend)
self.assertIsInstance(vqe.expectation, AerPauliExpectation)
with self.subTest('Set explicitly'):
vqe = VQE(self.h2_op,
expectation=AerPauliExpectation(),
quantum_instance=backend)
self.assertIsInstance(vqe.expectation, AerPauliExpectation)
def test_qasm_snapshot_mode(self):
"""Test the VQE using Aer's qasm_simulator snapshot mode."""
try:
# pylint: disable=import-outside-toplevel
from qiskit import Aer
except Exception as ex: # pylint: disable=broad-except
self.skipTest(
"Aer doesn't appear to be installed. Error: '{}'".format(
str(ex)))
return
backend = Aer.get_backend('qasm_simulator')
optimizer = L_BFGS_B()
wavefunction = self.ry_wavefunction
vqe = VQE(self.h2_op,
wavefunction,
optimizer,
expectation=AerPauliExpectation(),
max_evals_grouped=1)
quantum_instance = QuantumInstance(
backend,
shots=1,
seed_simulator=aqua_globals.random_seed,
seed_transpiler=aqua_globals.random_seed)
result = vqe.run(quantum_instance)
self.assertAlmostEqual(result.eigenvalue.real,
self.h2_energy,
places=6)
def get_exp(H, circ):
psi = CircuitStateFn(circ)
backend = Aer.get_backend('statevector_simulator')
measurable_expression = StateFn(H, is_measurement=True).compose(psi)
expectation = AerPauliExpectation().convert(measurable_expression)
sampler = CircuitSampler(backend).convert(expectation)
return sampler.eval().real
def test_setters_getters(self):
""" Test Getter/Setter """
# quantum instance
self.assertEqual(self._vqe_uccsd_factory.quantum_instance,
self.quantum_instance)
self._vqe_uccsd_factory.quantum_instance = None
self.assertEqual(self._vqe_uccsd_factory.quantum_instance, None)
# optimizer
self.assertEqual(self._vqe_uccsd_factory.optimizer, None)
optimizer = COBYLA()
self._vqe_uccsd_factory.optimizer = optimizer
self.assertEqual(self._vqe_uccsd_factory.optimizer, optimizer)
# initial point
self.assertEqual(self._vqe_uccsd_factory.initial_point, None)
initial_point = [1, 2, 3]
self._vqe_uccsd_factory.initial_point = initial_point
self.assertEqual(self._vqe_uccsd_factory.initial_point, initial_point)
# expectation
self.assertEqual(self._vqe_uccsd_factory.expectation, None)
expectation = AerPauliExpectation()
self._vqe_uccsd_factory.expectation = expectation
self.assertEqual(self._vqe_uccsd_factory.expectation, expectation)
# include_custom
self.assertEqual(self._vqe_uccsd_factory.include_custom, False)
self._vqe_uccsd_factory.include_custom = True
self.assertEqual(self._vqe_uccsd_factory.include_custom, True)
# method_singles
self.assertEqual(self._vqe_uccsd_factory.method_singles, 'both')
self._vqe_uccsd_factory.method_singles = 'alpha'
self.assertEqual(self._vqe_uccsd_factory.method_singles, 'alpha')
# method_doubles
self.assertEqual(self._vqe_uccsd_factory.method_doubles, 'ucc')
self._vqe_uccsd_factory.method_doubles = 'succ'
self.assertEqual(self._vqe_uccsd_factory.method_doubles, 'succ')
# excitation_type
self.assertEqual(self._vqe_uccsd_factory.excitation_type, 'sd')
self._vqe_uccsd_factory.excitation_type = 's'
self.assertEqual(self._vqe_uccsd_factory.excitation_type, 's')
# same_spin_doubles
self.assertEqual(self._vqe_uccsd_factory.same_spin_doubles, True)
self._vqe_uccsd_factory.same_spin_doubles = False
self.assertEqual(self._vqe_uccsd_factory.same_spin_doubles, False)
def test_uccsd_hf_aer_qasm_snapshot(self):
""" uccsd hf test with Aer qasm_simulator snapshot. """
try:
# pylint: disable=import-outside-toplevel
from qiskit import Aer
except Exception as ex: # pylint: disable=broad-except
self.skipTest("Aer doesn't appear to be installed. Error: '{}'".format(str(ex)))
return
backend = Aer.get_backend('qasm_simulator')
optimizer = SPSA(maxiter=200, last_avg=5)
solver = VQE(var_form=self.var_form, optimizer=optimizer,
expectation=AerPauliExpectation(),
quantum_instance=QuantumInstance(backend=backend))
gsc = GroundStateEigensolver(self.fermionic_transformation, solver)
result = gsc.solve(self.driver)
self.assertAlmostEqual(result.total_energies[0], self.reference_energy, places=3)
def test_uccsd_hf_aer_qasm_snapshot(self):
""" uccsd hf test with Aer qasm_simulator snapshot. """
try:
# pylint: disable=import-outside-toplevel
from qiskit import Aer
except Exception as ex: # pylint: disable=broad-except
self.skipTest(
"Aer doesn't appear to be installed. Error: '{}'".format(
str(ex)))
return
backend = Aer.get_backend('qasm_simulator')
algo = VQE(self.qubit_op,
self.var_form,
self.optimizer,
expectation=AerPauliExpectation())
result = algo.run(QuantumInstance(backend))
result = self.core.process_algorithm_result(result)
self.assertAlmostEqual(result.energy, self.reference_energy, places=6)
def setUp(self) -> None:
super().setUp()
backend = Aer.get_backend('qasm_simulator')
self.sampler = CircuitSampler(backend, attach_results=True)
self.expect = AerPauliExpectation()
class TestAerPauliExpectation(QiskitAquaTestCase):
"""Pauli Change of Basis Expectation tests."""
def setUp(self) -> None:
super().setUp()
backend = Aer.get_backend('qasm_simulator')
self.sampler = CircuitSampler(backend, attach_results=True)
self.expect = AerPauliExpectation()
def test_pauli_expect_pair(self):
""" pauli expect pair test """
op = (Z ^ Z)
# wf = (Pl^Pl) + (Ze^Ze)
wf = CX @ (H ^ I) @ Zero
converted_meas = self.expect.convert(~StateFn(op) @ wf)
sampled = self.sampler.convert(converted_meas)
self.assertAlmostEqual(sampled.eval(), 0, delta=.1)
def test_pauli_expect_single(self):
""" pauli expect single test """
# TODO bug in Aer with Y measurements
# paulis = [Z, X, Y, I]
paulis = [Z, X, I]
states = [Zero, One, Plus, Minus, S @ Plus, S @ Minus]
for pauli, state in itertools.product(paulis, states):
converted_meas = self.expect.convert(~StateFn(pauli) @ state)
matmulmean = state.adjoint().to_matrix() @ pauli.to_matrix(
) @ state.to_matrix()
sampled = self.sampler.convert(converted_meas)
self.assertAlmostEqual(sampled.eval(), matmulmean, delta=.1)
def test_pauli_expect_op_vector(self):
""" pauli expect op vector test """
paulis_op = ListOp([X, Y, Z, I])
converted_meas = self.expect.convert(~StateFn(paulis_op))
plus_mean = (converted_meas @ Plus)
sampled_plus = self.sampler.convert(plus_mean)
np.testing.assert_array_almost_equal(sampled_plus.eval(), [1, 0, 0, 1],
decimal=1)
minus_mean = (converted_meas @ Minus)
sampled_minus = self.sampler.convert(minus_mean)
np.testing.assert_array_almost_equal(sampled_minus.eval(),
[-1, 0, 0, 1],
decimal=1)
zero_mean = (converted_meas @ Zero)
sampled_zero = self.sampler.convert(zero_mean)
# TODO bug with Aer's Y
np.testing.assert_array_almost_equal(sampled_zero.eval(), [0, 1, 1, 1],
decimal=1)
sum_zero = (Plus + Minus) * (.5**.5)
sum_zero_mean = (converted_meas @ sum_zero)
sampled_zero_mean = self.sampler.convert(sum_zero_mean)
# !!NOTE!!: Depolarizing channel (Sampling) means interference
# does not happen between circuits in sum, so expectation does
# not equal expectation for Zero!!
np.testing.assert_array_almost_equal(sampled_zero_mean.eval(),
[0, 0, 0, 2],
decimal=1)
def test_pauli_expect_state_vector(self):
""" pauli expect state vector test """
states_op = ListOp([One, Zero, Plus, Minus])
paulis_op = X
converted_meas = self.expect.convert(~StateFn(paulis_op) @ states_op)
sampled = self.sampler.convert(converted_meas)
# Small test to see if execution results are accessible
for composed_op in sampled:
self.assertIn('counts', composed_op[0].execution_results)
np.testing.assert_array_almost_equal(sampled.eval(), [0, 0, 1, -1],
decimal=1)
def test_pauli_expect_op_vector_state_vector(self):
""" pauli expect op vector state vector test """
# TODO Bug in Aer with Y Measurements!!
# paulis_op = ListOp([X, Y, Z, I])
paulis_op = ListOp([X, Z, I])
states_op = ListOp([One, Zero, Plus, Minus])
valids = [
[+0, 0, 1, -1],
# [+0, 0, 0, 0],
[-1, 1, 0, -0],
[+1, 1, 1, 1]
]
converted_meas = self.expect.convert(~StateFn(paulis_op) @ states_op)
sampled = self.sampler.convert(converted_meas)
np.testing.assert_array_almost_equal(sampled.eval(), valids, decimal=1)
def test_multi_representation_ops(self):
""" Test observables with mixed representations """
mixed_ops = ListOp([X.to_matrix_op(), H, H + I, X])
converted_meas = self.expect.convert(~StateFn(mixed_ops))
plus_mean = (converted_meas @ Plus)
sampled_plus = self.sampler.convert(plus_mean)
np.testing.assert_array_almost_equal(sampled_plus.eval(),
[1, .5**.5, (1 + .5**.5), 1],
decimal=1)
def test_parameterized_qobj(self):
""" Test direct-to-aer parameter passing in Qobj header. """
pass
def test_unsupported_expectation(self):
"""Assert passing an AerPauliExpectation raises an error."""
expecation = AerPauliExpectation()
with self.assertRaises(NotImplementedError):
_ = CVaRExpectation(alpha=1, expectation=expecation)
class TestAerPauliExpectation(QiskitAquaTestCase):
"""Pauli Change of Basis Expectation tests."""
def setUp(self) -> None:
super().setUp()
try:
from qiskit import Aer
self.seed = 97
self.backend = Aer.get_backend('qasm_simulator')
q_instance = QuantumInstance(self.backend,
seed_simulator=self.seed,
seed_transpiler=self.seed)
self.sampler = CircuitSampler(q_instance, attach_results=True)
self.expect = AerPauliExpectation()
except Exception as ex: # pylint: disable=broad-except
self.skipTest(
"Aer doesn't appear to be installed. Error: '{}'".format(
str(ex)))
return
def test_pauli_expect_pair(self):
""" pauli expect pair test """
op = (Z ^ Z)
# wvf = (Pl^Pl) + (Ze^Ze)
wvf = CX @ (H ^ I) @ Zero
converted_meas = self.expect.convert(~StateFn(op) @ wvf)
sampled = self.sampler.convert(converted_meas)
self.assertAlmostEqual(sampled.eval(), 0, delta=.1)
def test_pauli_expect_single(self):
""" pauli expect single test """
# TODO bug in Aer with Y measurements
# paulis = [Z, X, Y, I]
paulis = [Z, X, I]
states = [Zero, One, Plus, Minus, S @ Plus, S @ Minus]
for pauli, state in itertools.product(paulis, states):
converted_meas = self.expect.convert(~StateFn(pauli) @ state)
matmulmean = state.adjoint().to_matrix() @ pauli.to_matrix(
) @ state.to_matrix()
sampled = self.sampler.convert(converted_meas)
self.assertAlmostEqual(sampled.eval(), matmulmean, delta=.1)
def test_pauli_expect_op_vector(self):
""" pauli expect op vector test """
paulis_op = ListOp([X, Y, Z, I])
converted_meas = self.expect.convert(~StateFn(paulis_op))
plus_mean = (converted_meas @ Plus)
sampled_plus = self.sampler.convert(plus_mean)
np.testing.assert_array_almost_equal(sampled_plus.eval(), [1, 0, 0, 1],
decimal=1)
minus_mean = (converted_meas @ Minus)
sampled_minus = self.sampler.convert(minus_mean)
np.testing.assert_array_almost_equal(sampled_minus.eval(),
[-1, 0, 0, 1],
decimal=1)
zero_mean = (converted_meas @ Zero)
sampled_zero = self.sampler.convert(zero_mean)
np.testing.assert_array_almost_equal(sampled_zero.eval(), [0, 0, 1, 1],
decimal=1)
sum_zero = (Plus + Minus) * (.5**.5)
sum_zero_mean = (converted_meas @ sum_zero)
sampled_zero_mean = self.sampler.convert(sum_zero_mean)
# !!NOTE!!: Depolarizing channel (Sampling) means interference
# does not happen between circuits in sum, so expectation does
# not equal expectation for Zero!!
np.testing.assert_array_almost_equal(sampled_zero_mean.eval(),
[0, 0, 0, 2],
decimal=1)
def test_pauli_expect_state_vector(self):
""" pauli expect state vector test """
states_op = ListOp([One, Zero, Plus, Minus])
paulis_op = X
converted_meas = self.expect.convert(~StateFn(paulis_op) @ states_op)
sampled = self.sampler.convert(converted_meas)
# Small test to see if execution results are accessible
for composed_op in sampled:
self.assertIn('counts', composed_op[0].execution_results)
np.testing.assert_array_almost_equal(sampled.eval(), [0, 0, 1, -1],
decimal=1)
def test_pauli_expect_op_vector_state_vector(self):
""" pauli expect op vector state vector test """
# TODO Bug in Aer with Y Measurements!!
# paulis_op = ListOp([X, Y, Z, I])
paulis_op = ListOp([X, Z, I])
states_op = ListOp([One, Zero, Plus, Minus])
valids = [
[+0, 0, 1, -1],
# [+0, 0, 0, 0],
[-1, 1, 0, -0],
[+1, 1, 1, 1]
]
converted_meas = self.expect.convert(~StateFn(paulis_op) @ states_op)
sampled = self.sampler.convert(converted_meas)
np.testing.assert_array_almost_equal(sampled.eval(), valids, decimal=1)
def test_multi_representation_ops(self):
""" Test observables with mixed representations """
mixed_ops = ListOp([X.to_matrix_op(), H, H + I, X])
converted_meas = self.expect.convert(~StateFn(mixed_ops))
plus_mean = (converted_meas @ Plus)
sampled_plus = self.sampler.convert(plus_mean)
np.testing.assert_array_almost_equal(sampled_plus.eval(),
[1, .5**.5, (1 + .5**.5), 1],
decimal=1)
def test_parameterized_qobj(self):
""" grouped pauli expectation test """
two_qubit_h2 = (-1.052373245772859 * I ^ I) + \
(0.39793742484318045 * I ^ Z) + \
(-0.39793742484318045 * Z ^ I) + \
(-0.01128010425623538 * Z ^ Z) + \
(0.18093119978423156 * X ^ X)
aer_sampler = CircuitSampler(self.sampler.quantum_instance,
param_qobj=True,
attach_results=True)
var_form = RealAmplitudes()
var_form.num_qubits = 2
observable_meas = self.expect.convert(
StateFn(two_qubit_h2, is_measurement=True))
ansatz_circuit_op = CircuitStateFn(var_form)
expect_op = observable_meas.compose(ansatz_circuit_op).reduce()
def generate_parameters(num):
param_bindings = {}
for param in var_form.parameters:
values = []
for _ in range(num):
values.append(np.random.rand())
param_bindings[param] = values
return param_bindings
def validate_sampler(ideal, sut, param_bindings):
expect_sampled = ideal.convert(expect_op,
params=param_bindings).eval()
actual_sampled = sut.convert(expect_op,
params=param_bindings).eval()
self.assertAlmostEqual(actual_sampled, expect_sampled, delta=.1)
def get_circuit_templates(sampler):
return sampler._transpiled_circ_templates
def validate_aer_binding_used(templates):
self.assertIsNotNone(templates)
def validate_aer_templates_reused(prev_templates, cur_templates):
self.assertIs(prev_templates, cur_templates)
validate_sampler(self.sampler, aer_sampler, generate_parameters(1))
cur_templates = get_circuit_templates(aer_sampler)
validate_aer_binding_used(cur_templates)
prev_templates = cur_templates
validate_sampler(self.sampler, aer_sampler, generate_parameters(2))
cur_templates = get_circuit_templates(aer_sampler)
validate_aer_templates_reused(prev_templates, cur_templates)
prev_templates = cur_templates
validate_sampler(self.sampler, aer_sampler,
generate_parameters(2)) # same num of params
cur_templates = get_circuit_templates(aer_sampler)
validate_aer_templates_reused(prev_templates, cur_templates)
def test_pauli_expectation_param_qobj(self):
""" Test PauliExpectation with param_qobj """
q_instance = QuantumInstance(self.backend,
seed_simulator=self.seed,
seed_transpiler=self.seed,
shots=20000)
qubit_op = (1 * I ^ I) + (2 * I ^ Z) + (3 * Z ^ I) + (4 * Z ^ Z) + (
5 * X ^ X)
var_form = RealAmplitudes(qubit_op.num_qubits)
ansatz_circuit_op = CircuitStateFn(var_form)
observable = PauliExpectation().convert(~StateFn(qubit_op))
expect_op = observable.compose(ansatz_circuit_op).reduce()
params1 = {}
params2 = {}
for param in var_form.parameters:
params1[param] = [0]
params2[param] = [0, 0]
sampler1 = CircuitSampler(backend=q_instance, param_qobj=False)
samples1 = sampler1.convert(expect_op, params=params1)
val1 = np.real(samples1.eval())[0]
samples2 = sampler1.convert(expect_op, params=params2)
val2 = np.real(samples2.eval())
sampler2 = CircuitSampler(backend=q_instance, param_qobj=True)
samples3 = sampler2.convert(expect_op, params=params1)
val3 = np.real(samples3.eval())
samples4 = sampler2.convert(expect_op, params=params2)
val4 = np.real(samples4.eval())
np.testing.assert_array_almost_equal([val1] * 2, val2, decimal=2)
np.testing.assert_array_almost_equal(val1, val3, decimal=2)
np.testing.assert_array_almost_equal([val1] * 2, val4, decimal=2)
class TestVQE(QiskitAquaTestCase):
""" Test VQE """
def setUp(self):
super().setUp()
self.seed = 50
aqua_globals.random_seed = self.seed
self.h2_op = -1.052373245772859 * (I ^ I) \
+ 0.39793742484318045 * (I ^ Z) \
- 0.39793742484318045 * (Z ^ I) \
- 0.01128010425623538 * (Z ^ Z) \
+ 0.18093119978423156 * (X ^ X)
self.h2_energy = -1.85727503
self.ryrz_wavefunction = TwoLocal(rotation_blocks=['ry', 'rz'],
entanglement_blocks='cz')
self.ry_wavefunction = TwoLocal(rotation_blocks='ry',
entanglement_blocks='cz')
self.qasm_simulator = QuantumInstance(
BasicAer.get_backend('qasm_simulator'),
shots=1024,
seed_simulator=self.seed,
seed_transpiler=self.seed)
self.statevector_simulator = QuantumInstance(
BasicAer.get_backend('statevector_simulator'),
shots=1,
seed_simulator=self.seed,
seed_transpiler=self.seed)
def test_basic_aer_statevector(self):
"""Test the VQE on BasicAer's statevector simulator."""
wavefunction = self.ryrz_wavefunction
vqe = VQE(self.h2_op, wavefunction, L_BFGS_B())
result = vqe.run(
QuantumInstance(BasicAer.get_backend('statevector_simulator'),
basis_gates=['u1', 'u2', 'u3', 'cx', 'id'],
coupling_map=[[0, 1]],
seed_simulator=aqua_globals.random_seed,
seed_transpiler=aqua_globals.random_seed))
with self.subTest(msg='test eigenvalue'):
self.assertAlmostEqual(result.eigenvalue.real, self.h2_energy)
with self.subTest(msg='test dimension of optimal point'):
self.assertEqual(len(result.optimal_point), 16)
with self.subTest(msg='assert cost_function_evals is set'):
self.assertIsNotNone(result.cost_function_evals)
with self.subTest(msg='assert optimizer_time is set'):
self.assertIsNotNone(result.optimizer_time)
def test_circuit_input(self):
"""Test running the VQE on a plain QuantumCircuit object."""
wavefunction = QuantumCircuit(2).compose(EfficientSU2(2))
optimizer = SLSQP(maxiter=50)
vqe = VQE(self.h2_op, wavefunction, optimizer=optimizer)
result = vqe.run(self.statevector_simulator)
self.assertAlmostEqual(result.eigenvalue.real,
self.h2_energy,
places=5)
@data(
(MatrixExpectation(), 1),
(AerPauliExpectation(), 1),
(PauliExpectation(), 2),
)
@unpack
def test_construct_circuit(self, expectation, num_circuits):
"""Test construct circuits returns QuantumCircuits and the right number of them."""
wavefunction = EfficientSU2(2, reps=1)
vqe = VQE(self.h2_op, wavefunction, expectation=expectation)
params = [0] * wavefunction.num_parameters
circuits = vqe.construct_circuit(params)
self.assertEqual(len(circuits), num_circuits)
for circuit in circuits:
self.assertIsInstance(circuit, QuantumCircuit)
def test_legacy_operator(self):
"""Test the VQE accepts and converts the legacy WeightedPauliOperator."""
pauli_dict = {
'paulis': [{
"coeff": {
"imag": 0.0,
"real": -1.052373245772859
},
"label": "II"
}, {
"coeff": {
"imag": 0.0,
"real": 0.39793742484318045
},
"label": "IZ"
}, {
"coeff": {
"imag": 0.0,
"real": -0.39793742484318045
},
"label": "ZI"
}, {
"coeff": {
"imag": 0.0,
"real": -0.01128010425623538
},
"label": "ZZ"
}, {
"coeff": {
"imag": 0.0,
"real": 0.18093119978423156
},
"label": "XX"
}]
}
h2_op = WeightedPauliOperator.from_dict(pauli_dict)
vqe = VQE(h2_op)
self.assertEqual(vqe.operator, self.h2_op)
def test_missing_varform_params(self):
"""Test specifying a variational form with no parameters raises an error."""
circuit = QuantumCircuit(self.h2_op.num_qubits)
vqe = VQE(self.h2_op, circuit)
with self.assertRaises(RuntimeError):
vqe.run(BasicAer.get_backend('statevector_simulator'))
@data(
(SLSQP(maxiter=50), 5, 4),
(SPSA(maxiter=150), 3, 2), # max_evals_grouped=n or =2 if n>2
)
@unpack
def test_max_evals_grouped(self, optimizer, places, max_evals_grouped):
""" VQE Optimizers test """
vqe = VQE(self.h2_op,
self.ryrz_wavefunction,
optimizer,
max_evals_grouped=max_evals_grouped,
quantum_instance=self.statevector_simulator)
result = vqe.run()
self.assertAlmostEqual(result.eigenvalue.real,
self.h2_energy,
places=places)
def test_basic_aer_qasm(self):
"""Test the VQE on BasicAer's QASM simulator."""
optimizer = SPSA(maxiter=300, last_avg=5)
wavefunction = self.ry_wavefunction
vqe = VQE(self.h2_op, wavefunction, optimizer, max_evals_grouped=1)
# TODO benchmark this later.
result = vqe.run(self.qasm_simulator)
self.assertAlmostEqual(result.eigenvalue.real, -1.86823, places=2)
def test_with_aer_statevector(self):
"""Test VQE with Aer's statevector_simulator."""
try:
# pylint: disable=import-outside-toplevel
from qiskit import Aer
except Exception as ex: # pylint: disable=broad-except
self.skipTest(
"Aer doesn't appear to be installed. Error: '{}'".format(
str(ex)))
return
backend = Aer.get_backend('statevector_simulator')
wavefunction = self.ry_wavefunction
optimizer = L_BFGS_B()
vqe = VQE(self.h2_op, wavefunction, optimizer, max_evals_grouped=1)
quantum_instance = QuantumInstance(
backend,
seed_simulator=aqua_globals.random_seed,
seed_transpiler=aqua_globals.random_seed)
result = vqe.run(quantum_instance)
self.assertAlmostEqual(result.eigenvalue.real,
self.h2_energy,
places=6)
def test_with_aer_qasm(self):
"""Test VQE with Aer's qasm_simulator."""
try:
# pylint: disable=import-outside-toplevel
from qiskit import Aer
except Exception as ex: # pylint: disable=broad-except
self.skipTest(
"Aer doesn't appear to be installed. Error: '{}'".format(
str(ex)))
return
backend = Aer.get_backend('qasm_simulator')
optimizer = SPSA(maxiter=200, last_avg=5)
wavefunction = self.ry_wavefunction
vqe = VQE(self.h2_op,
wavefunction,
optimizer,
expectation=PauliExpectation())
quantum_instance = QuantumInstance(
backend,
seed_simulator=aqua_globals.random_seed,
seed_transpiler=aqua_globals.random_seed)
result = vqe.run(quantum_instance)
self.assertAlmostEqual(result.eigenvalue.real, -1.86305, places=2)
def test_with_aer_qasm_snapshot_mode(self):
"""Test the VQE using Aer's qasm_simulator snapshot mode."""
try:
# pylint: disable=import-outside-toplevel
from qiskit import Aer
except Exception as ex: # pylint: disable=broad-except
self.skipTest(
"Aer doesn't appear to be installed. Error: '{}'".format(
str(ex)))
return
backend = Aer.get_backend('qasm_simulator')
optimizer = L_BFGS_B()
wavefunction = self.ry_wavefunction
vqe = VQE(self.h2_op,
wavefunction,
optimizer,
expectation=AerPauliExpectation())
quantum_instance = QuantumInstance(
backend,
shots=1,
seed_simulator=aqua_globals.random_seed,
seed_transpiler=aqua_globals.random_seed)
result = vqe.run(quantum_instance)
self.assertAlmostEqual(result.eigenvalue.real,
self.h2_energy,
places=6)
def test_callback(self):
"""Test the callback on VQE."""
history = {'eval_count': [], 'parameters': [], 'mean': [], 'std': []}
def store_intermediate_result(eval_count, parameters, mean, std):
history['eval_count'].append(eval_count)
history['parameters'].append(parameters)
history['mean'].append(mean)
history['std'].append(std)
optimizer = COBYLA(maxiter=3)
wavefunction = self.ry_wavefunction
vqe = VQE(self.h2_op,
wavefunction,
optimizer,
callback=store_intermediate_result)
vqe.run(self.qasm_simulator)
self.assertTrue(
all(isinstance(count, int) for count in history['eval_count']))
self.assertTrue(
all(isinstance(mean, float) for mean in history['mean']))
self.assertTrue(all(isinstance(std, float) for std in history['std']))
for params in history['parameters']:
self.assertTrue(all(isinstance(param, float) for param in params))
def test_reuse(self):
"""Test re-using a VQE algorithm instance."""
vqe = VQE()
with self.subTest(msg='assert running empty raises AquaError'):
with self.assertRaises(AquaError):
_ = vqe.run()
var_form = TwoLocal(rotation_blocks=['ry', 'rz'],
entanglement_blocks='cz')
vqe.var_form = var_form
with self.subTest(msg='assert missing operator raises AquaError'):
with self.assertRaises(AquaError):
_ = vqe.run()
vqe.operator = self.h2_op
with self.subTest(msg='assert missing backend raises AquaError'):
with self.assertRaises(AquaError):
_ = vqe.run()
vqe.quantum_instance = self.statevector_simulator
with self.subTest(msg='assert VQE works once all info is available'):
result = vqe.run()
self.assertAlmostEqual(result.eigenvalue.real,
self.h2_energy,
places=5)
operator = PrimitiveOp(
np.array([[1, 0, 0, 0], [0, -1, 0, 0], [0, 0, 2, 0], [0, 0, 0,
3]]))
with self.subTest(msg='assert minimum eigensolver interface works'):
result = vqe.compute_minimum_eigenvalue(operator)
self.assertAlmostEqual(result.eigenvalue.real, -1.0, places=5)
def test_vqe_optimizer(self):
""" Test running same VQE twice to re-use optimizer, then switch optimizer """
vqe = VQE(self.h2_op,
optimizer=SLSQP(),
quantum_instance=QuantumInstance(
BasicAer.get_backend('statevector_simulator')))
def run_check():
result = vqe.compute_minimum_eigenvalue()
self.assertAlmostEqual(result.eigenvalue.real,
-1.85727503,
places=5)
run_check()
with self.subTest('Optimizer re-use'):
run_check()
with self.subTest('Optimizer replace'):
vqe.optimizer = L_BFGS_B()
run_check()
def test_vqe_expectation_select(self):
"""Test expectation selection with Aer's qasm_simulator."""
try:
# pylint: disable=import-outside-toplevel
from qiskit import Aer
except Exception as ex: # pylint: disable=broad-except
self.skipTest(
"Aer doesn't appear to be installed. Error: '{}'".format(
str(ex)))
return
backend = Aer.get_backend('qasm_simulator')
with self.subTest('Defaults'):
vqe = VQE(self.h2_op, quantum_instance=backend)
self.assertIsInstance(vqe.expectation, PauliExpectation)
with self.subTest('Include custom'):
vqe = VQE(self.h2_op,
include_custom=True,
quantum_instance=backend)
self.assertIsInstance(vqe.expectation, AerPauliExpectation)
with self.subTest('Set explicitly'):
vqe = VQE(self.h2_op,
expectation=AerPauliExpectation(),
quantum_instance=backend)
self.assertIsInstance(vqe.expectation, AerPauliExpectation)
@unittest.skip(reason="IBMQ testing not available in general.")
def test_ibmq(self):
""" IBMQ VQE Test """
from qiskit import IBMQ
provider = IBMQ.load_account()
backend = provider.get_backend('ibmq_qasm_simulator')
ansatz = TwoLocal(rotation_blocks=['ry', 'rz'],
entanglement_blocks='cz')
opt = SLSQP(maxiter=1)
opt.set_max_evals_grouped(100)
vqe = VQE(self.h2_op, ansatz, SLSQP(maxiter=2))
result = vqe.run(backend)
print(result)
self.assertAlmostEqual(result.eigenvalue.real, self.h2_energy)
np.testing.assert_array_almost_equal(result.eigenvalue.real,
self.h2_energy, 5)
self.assertEqual(len(result.optimal_point), 16)
self.assertIsNotNone(result.cost_function_evals)
self.assertIsNotNone(result.optimizer_time)
@data(MatrixExpectation(), None)
def test_backend_change(self, user_expectation):
"""Test that VQE works when backend changes."""
vqe = VQE(
operator=self.h2_op,
var_form=TwoLocal(rotation_blocks=['ry', 'rz'],
entanglement_blocks='cz'),
optimizer=SLSQP(maxiter=2),
expectation=user_expectation,
quantum_instance=BasicAer.get_backend('statevector_simulator'))
result0 = vqe.run()
if user_expectation is not None:
with self.subTest('User expectation kept.'):
self.assertEqual(vqe.expectation, user_expectation)
else:
with self.subTest('Expectation created.'):
self.assertIsInstance(vqe.expectation, ExpectationBase)
try:
vqe.set_backend(BasicAer.get_backend('qasm_simulator'))
except Exception as ex: # pylint: disable=broad-except
self.fail("Failed to change backend. Error: '{}'".format(str(ex)))
return
result1 = vqe.run()
if user_expectation is not None:
with self.subTest(
'Change backend with user expectation, it is kept.'):
self.assertEqual(vqe.expectation, user_expectation)
else:
with self.subTest(
'Change backend without user expectation, one created.'):
self.assertIsInstance(vqe.expectation, ExpectationBase)
with self.subTest('Check results.'):
self.assertEqual(len(result0.optimal_point),
len(result1.optimal_point))
