Source code for qiskit.aqua.operators.expectations.pauli_expectation

# -*- coding: utf-8 -*-

# This code is part of Qiskit.
#
# (C) Copyright IBM 2020.
#
# This code is licensed under the Apache License, Version 2.0. You may
# obtain a copy of this license in the LICENSE.txt file in the root directory
# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
#
# Any modifications or derivative works of this code must retain this
# copyright notice, and modified files need to carry a notice indicating
# that they have been altered from the originals.

""" PauliExpectation Class """

import logging
from typing import Union
import numpy as np

from .expectation_base import ExpectationBase
from ..operator_base import OperatorBase
from ..list_ops.list_op import ListOp
from ..list_ops.composed_op import ComposedOp
from ..state_fns.state_fn import StateFn
from ..state_fns.operator_state_fn import OperatorStateFn
from ..converters.pauli_basis_change import PauliBasisChange
from ..converters.abelian_grouper import AbelianGrouper

logger = logging.getLogger(__name__)


[docs]class PauliExpectation(ExpectationBase): r""" An Expectation converter for Pauli-basis observables by changing Pauli measurements to a diagonal ({Z, I}^n) basis and appending circuit post-rotations to the measured state function. Optionally groups the Paulis with the same post-rotations (those that commute with one another, or form Abelian groups) into single measurements to reduce circuit execution overhead. """ def __init__(self, group_paulis: bool = True) -> None: """ Args: group_paulis: Whether to group the Pauli measurements into commuting sums, which all have the same diagonalizing circuit. """ self._grouper = AbelianGrouper() if group_paulis else None
[docs] def convert(self, operator: OperatorBase) -> OperatorBase: """ Accepts an Operator and returns a new Operator with the Pauli measurements replaced by diagonal Pauli post-rotation based measurements so they can be evaluated by sampling and averaging. Args: operator: The operator to convert. Returns: The converted operator. """ if isinstance(operator, OperatorStateFn) and operator.is_measurement: # Change to Pauli representation if necessary if not {'Pauli'} == operator.primitive_strings(): logger.warning('Measured Observable is not composed of only Paulis, converting to ' 'Pauli representation, which can be expensive.') # Setting massive=False because this conversion is implicit. User can perform this # action on the Observable with massive=True explicitly if they so choose. pauli_obsv = operator.primitive.to_pauli_op(massive=False) operator = StateFn(pauli_obsv, is_measurement=True, coeff=operator.coeff) if self._grouper and isinstance(operator.primitive, ListOp): grouped = self._grouper.convert(operator.primitive) operator = StateFn(grouped, is_measurement=True, coeff=operator.coeff) # Convert the measurement into diagonal basis (PauliBasisChange chooses # this basis by default). cob = PauliBasisChange(replacement_fn=PauliBasisChange.measurement_replacement_fn) return cob.convert(operator).reduce() elif isinstance(operator, ListOp): return operator.traverse(self.convert).reduce() else: return operator
[docs] def compute_variance(self, exp_op: OperatorBase) -> Union[list, float, np.ndarray]: def sum_variance(operator): if isinstance(operator, ComposedOp): sfdict = operator.oplist[1] measurement = operator.oplist[0] average = measurement.eval(sfdict) variance = sum([(v * (measurement.eval(b) - average))**2 for (b, v) in sfdict.primitive.items()]) return operator.coeff * variance elif isinstance(operator, ListOp): return operator.combo_fn([sum_variance(op) for op in operator.oplist]) return 0.0 return sum_variance(exp_op)