def _compute_std_devs(
observables_expect_sampled: OperatorBase,
observables: ListOrDict[OperatorBase],
expectation: ExpectationBase,
quantum_instance: Union[QuantumInstance, BaseBackend, Backend],
) -> List[complex]:
"""
Calculates a list of standard deviations from expectation values of observables provided.
Args:
observables_expect_sampled: Expected values of observables.
observables: A list or a dictionary of operators whose expectation values are to be
calculated.
expectation: An instance of ExpectationBase which defines a method for calculating
expectation values.
quantum_instance: A quantum instance used for calculations.
Returns:
A list of standard deviations.
"""
variances = np.real(expectation.compute_variance(observables_expect_sampled))
if not isinstance(variances, np.ndarray) and variances == 0.0:
# when `variances` is a single value equal to 0., our expectation value is exact and we
# manually ensure the variances to be a list of the correct length
variances = np.zeros(len(observables), dtype=float)
std_devs = np.sqrt(variances / quantum_instance.run_config.shots)
return std_devs
def _eval_aux_ops(
self,
parameters: np.ndarray,
aux_operators: ListOrDict[OperatorBase],
expectation: ExpectationBase,
threshold: float = 1e-12,
) -> ListOrDict[Tuple[complex, complex]]:
# Create new CircuitSampler to avoid breaking existing one's caches.
sampler = CircuitSampler(self.quantum_instance)
if isinstance(aux_operators, dict):
list_op = ListOp(list(aux_operators.values()))
else:
list_op = ListOp(aux_operators)
aux_op_meas = expectation.convert(StateFn(list_op,
is_measurement=True))
aux_op_expect = aux_op_meas.compose(
CircuitStateFn(self.ansatz.bind_parameters(parameters)))
aux_op_expect_sampled = sampler.convert(aux_op_expect)
# compute means
values = np.real(aux_op_expect_sampled.eval())
# compute standard deviations
variances = np.real(
expectation.compute_variance(aux_op_expect_sampled))
if not isinstance(variances, np.ndarray) and variances == 0.0:
# when `variances` is a single value equal to 0., our expectation value is exact and we
# manually ensure the variances to be a list of the correct length
variances = np.zeros(len(aux_operators), dtype=float)
std_devs = np.sqrt(variances / self.quantum_instance.run_config.shots)
# Discard values below threshold
aux_op_means = values * (np.abs(values) > threshold)
# zip means and standard deviations into tuples
aux_op_results = zip(aux_op_means, std_devs)
# Return None eigenvalues for None operators if aux_operators is a list.
# None operators are already dropped in compute_minimum_eigenvalue if aux_operators is a dict.
if isinstance(aux_operators, list):
aux_operator_eigenvalues = [None] * len(aux_operators)
key_value_iterator = enumerate(aux_op_results)
else:
aux_operator_eigenvalues = {}
key_value_iterator = zip(aux_operators.keys(), aux_op_results)
for key, value in key_value_iterator:
if aux_operators[key] is not None:
aux_operator_eigenvalues[key] = value
return aux_operator_eigenvalues