Source code for pennylane.transforms.sign_expand.sign_expand

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"""
Contains the sign (and xi) decomposition tape transform, implementation of ideas from arXiv:2207.09479
"""

import json
from os import path

import numpy as np

import pennylane as qml
from pennylane.tape import QuantumScript, QuantumScriptBatch
from pennylane.transforms import transform
from pennylane.typing import PostprocessingFn


def controlled_pauli_evolution(theta, wires, pauli_word, controls):
    r"""Controlled Evolution under generic Pauli words, adapted from the decomposition of
    qml.PauliRot to suit our needs


    Args:
        theta (float): rotation angle :math:`\theta`
        pauli_word (string): the Pauli word defining the rotation
        wires (Iterable, Wires): the wires the operation acts on
        controls (List[control1, control2]): The two additional controls to implement the
          Hadamard test and the quantum signal processing part on

    Returns:
        list[Operator]: decomposition that make up the controlled evolution
    """
    active_wires, active_gates = zip(
        *[(wire, gate) for wire, gate in zip(wires, pauli_word) if gate != "I"]
    )

    ops = []
    for wire, gate in zip(active_wires, active_gates):
        if gate in ("X", "Y"):
            ops.append(
                qml.Hadamard(wires=[wire]) if gate == "X" else qml.RX(-np.pi / 2, wires=[wire])
            )

    ops.append(qml.CNOT(wires=[controls[1], wires[0]]))
    ops.append(qml.ctrl(op=qml.MultiRZ(theta, wires=list(active_wires)), control=controls[0]))
    ops.append(qml.CNOT(wires=[controls[1], wires[0]]))

    for wire, gate in zip(active_wires, active_gates):
        if gate in ("X", "Y"):
            ops.append(
                qml.Hadamard(wires=[wire]) if gate == "X" else qml.RX(-np.pi / 2, wires=[wire])
            )

    return ops


def evolve_under(ops, coeffs, time, controls):
    """
    Evolves under the given Hamiltonian deconstructed into its Pauli words

    Args:
        ops (List[Operator): List of Pauli words that comprise the Hamiltonian
        coeffs (List[int]): List of the respective coefficients of the Pauliwords of the Hamiltonian
        time (float): At what time to evaluate these Pauliwords
    """
    ops_temp = []
    for op, coeff in zip(ops, coeffs):
        pauli_word = qml.pauli.pauli_word_to_string(op)
        ops_temp.append(
            controlled_pauli_evolution(
                coeff * time,
                wires=op.wires,
                pauli_word=pauli_word,
                controls=controls,
            )
        )
    return ops_temp


def calculate_xi_decomposition(hamiltonian):
    r"""
    Calculates the Xi-decomposition from the given Hamiltonian by constructing the sparse matrix
    representing the Hamiltonian, finding its spectrum and then construct projectors and
    eigenvalue spacings

    Definition of the Xi decomposition of operator O:

    .. math::
        \frac{\lambda_0 +\lambda_J}{2} \mathbb{1} + \sum_{x=1}^{J-1} \frac{\delta \lambda_x}{2}\Xi_x ,

    where the lambdas are the sorted eigenvalues of O and

    ..math::
       \Xi_x = \mathbb{1} - \sum_(j<x) 2 \Pi_j \,, \quad \delta \lambda_x = \lambda_x - \lambda_{x-1}


    Args:
      hamiltonian (qml.Hamiltonian): The pennylane Hamiltonian to be decomposed

    Returns:
      dEs (List[float]): The energy (E_1-E-2)/2 separating the two eigenvalues of the spectrum
      mus (List[float]): The average between the two eigenvalues (E_1+E-2)/2
      times (List[float]): The time for this term group to be evaluated/evolved at
      projs (List[np.array]): The analytical observables associated with these groups,
       to be measured by qml.Hermitian
    """
    mat = hamiltonian.sparse_matrix().toarray()
    size = len(mat)
    eigs, eigvecs = np.linalg.eigh(mat)
    norm = eigs[-1]
    proj = np.identity(size, dtype="complex64")

    def Pi(j):
        """Projector on eigenspace of eigenvalue E_i"""
        return np.outer(np.conjugate(eigvecs[:, j]), eigvecs[:, j])

    proj += -2 * Pi(0)
    last_i = 1

    dEs, mus, projs, times = [], [], [], []

    for index in range(len(eigs) - 1):
        dE = (eigs[index + 1] - eigs[index]) / 2
        if np.isclose(dE, 0):
            continue
        dEs.append(dE)
        mu = (eigs[index + 1] + eigs[index]) / 2
        mus.append(mu)
        time = np.pi / (2 * (norm + abs(mu)))
        times.append(time)

        for j in range(last_i, index + 1):
            proj += -2 * Pi(j)
            last_i = index + 1

        projs.append(proj.copy() * dE)

    return dEs, mus, times, projs


def construct_sgn_circuit(  # pylint: disable=too-many-arguments
    hamiltonian, tape, mus, times, phis, controls
):
    """
    Takes a tape with state prep and ansatz and constructs the individual tapes
    approximating/estimating the individual terms of your decomposition

    Args:
      hamiltonian (qml.Hamiltonian): The pennylane Hamiltonian to be decomposed
      tape (qml.QuantumTape: Tape containing the circuit to be expanded into the new circuits
      mus (List[float]): The average between the two eigenvalues (E_1+E-2)/2
      times (List[float]): The time for this term group to be evaluated/evolved at
      phis (List[float]): Optimal phi values for the QSP part associated with the respective
        delta and J
      controls (List[control1, control2]): The two additional controls to implement the
          Hadamard test and the quantum signal processing part on

    Returns:
      tapes (List[qml.tape]): Expanded tapes from the original tape that measures the terms
        via the approximate sgn decomposition
    """
    coeffs = hamiltonian.data
    tapes = []
    for mu, time in zip(mus, times):
        added_operations = []
        # Put QSP and Hadamard test on the two ancillas Target and Control
        added_operations.append(qml.Hadamard(controls[0]))
        for i, phi in enumerate(phis):
            added_operations.append(qml.CRX(phi, wires=controls))
            if i == len(phis) - 1:
                added_operations.append(qml.CRY(np.pi, wires=controls))
            else:
                for ops in evolve_under(hamiltonian.ops, coeffs, 2 * time, controls):
                    added_operations.extend(ops)
                added_operations.append(qml.CRZ(-2 * mu * time, wires=controls))
        added_operations.append(qml.Hadamard(controls[0]))

        operations = tape.operations + added_operations

        if isinstance(tape.measurements[0], qml.measurements.ExpectationMP):
            measurements = [qml.expval(-1 * qml.Z(controls[0]))]
        else:
            measurements = [qml.var(qml.Z(controls[0]))]

        new_tape = qml.tape.QuantumScript(operations, measurements, shots=tape.shots)

        tapes.append(new_tape)
    return tapes


[docs] @transform def sign_expand( tape: QuantumScript, circuit=False, J=10, delta=0.0, controls=("Hadamard", "Target") ) -> tuple[QuantumScriptBatch, PostprocessingFn]: r""" Splits a tape measuring a (fast-forwardable) Hamiltonian expectation into mutliple tapes of the Xi or sgn decomposition, and provides a function to recombine the results. Implementation of ideas from arXiv:2207.09479 For the calculation of variances, one assumes an even distribution of shots among the groups. Args: tape (QNode or QuantumTape): the quantum circuit used when calculating the expectation value of the Hamiltonian circuit (bool): Toggle the calculation of the analytical Xi decomposition or if True constructs the circuits of the approximate sign decomposition to measure the expectation value J (int): The times the time evolution of the hamiltonian is repeated in the quantum signal processing approximation of the sgn-decomposition delta (float): The minimal controls (List[control1, control2]): The two additional controls to implement the Hadamard test and the quantum signal processing part on, have to be wires on the device Returns: qnode (pennylane.QNode) or tuple[List[.QuantumTape], function]: The transformed circuit as described in :func:`qml.transform <pennylane.transform>`. **Example** Given a Hamiltonian, .. code-block:: python3 H = qml.Z(0) + 0.5 * qml.Z(2) + qml.Z(1) a device with auxiliary qubits, .. code-block:: python3 dev = qml.device("default.qubit", wires=[0,1,2,'Hadamard','Target']) and a circuit of the form, with the transform as decorator. .. code-block:: python3 @qml.transforms.sign_expand @qml.qnode(dev) def circuit(): qml.Hadamard(wires=0) qml.CNOT(wires=[0, 1]) qml.X(2) return qml.expval(H) >>> circuit() -0.4999999999999999 You can also work directly on tapes: .. code-block:: python3 operations = [qml.Hadamard(wires=0), qml.CNOT(wires=[0, 1]), qml.X(2)] measurements = [qml.expval(H)] tape = qml.tape.QuantumTape(operations, measurements) We can use the ``sign_expand`` transform to generate new tapes and a classical post-processing function for computing the expectation value of the Hamiltonian in these new decompositions >>> tapes, fn = qml.transforms.sign_expand(tape) We can evaluate these tapes on a device, it needs two additional ancilla gates labeled 'Hadamard' and 'Target' if one wants to make the circuit approximation of the decomposition: >>> dev = qml.device("default.qubit", wires=[0,1,2,'Hadamard','Target']) >>> res = dev.execute(tapes) >>> fn(res) -0.4999999999999999 To evaluate the circuit approximation of the decomposition one can construct the sgn-decomposition by changing the kwarg circuit to True: >>> tapes, fn = qml.transforms.sign_expand(tape, circuit=True, J=20, delta=0) >>> dev = qml.device("default.qubit", wires=[0,1,2,'Hadamard','Target']) >>> dev.execute(tapes) >>> fn(res) -0.24999999999999994 Lastly, as the paper is about minimizing variance, one can also calculate the variance of the estimator by changing the tape: .. code-block:: python3 operations = [qml.Hadamard(wires=0), qml.CNOT(wires=[0, 1]), qml.X(2)] measurements = [qml.var(H)] tape = qml.tape.QuantumTape(operations, measurements) >>> tapes, fn = qml.transforms.sign_expand(tape, circuit=True, J=20, delta=0) >>> dev = qml.device("default.qubit", wires=[0,1,2,'Hadamard','Target']) >>> res = dev.execute(tapes) >>> fn(res) 10.108949481425782 """ path_str = path.dirname(__file__) with open(path_str + "/sign_expand_data.json", "r", encoding="utf-8") as f: data = json.load(f) phis = list(filter(lambda data: data["delta"] == delta and data["order"] == J, data))[0][ "opt_params" ] hamiltonian = tape.measurements[0].obs wires = hamiltonian.wires if ( not isinstance(hamiltonian, qml.ops.LinearCombination) or len(tape.measurements) > 1 or not isinstance( tape.measurements[0], (qml.measurements.ExpectationMP, qml.measurements.VarianceMP) ) ): raise ValueError( "Passed tape must end in `qml.expval(H)` or 'qml.var(H)', where H is of type `qml.Hamiltonian`" ) hamiltonian.compute_grouping() if len(hamiltonian.grouping_indices) != 1: raise ValueError("Passed hamiltonian must be jointly measurable") dEs, mus, times, projs = calculate_xi_decomposition(hamiltonian) if circuit: tapes = construct_sgn_circuit(hamiltonian, tape, mus, times, phis, controls) if isinstance(tape.measurements[0], qml.measurements.ExpectationMP): def processing_fn(res): products = [a * b for a, b in zip(res, dEs)] return qml.math.sum(products) else: def processing_fn(res): products = [a * b for a, b in zip(res, dEs)] return qml.math.sum(products) * len(products) return tapes, processing_fn # make one tape per observable tapes = [] for proj in projs: if isinstance(tape.measurements[0], qml.measurements.ExpectationMP): measurements = [qml.expval(qml.Hermitian(proj, wires=wires))] else: measurements = [qml.var(qml.Hermitian(proj, wires=wires))] new_tape = qml.tape.QuantumScript(tape.operations, measurements, shots=tape.shots) tapes.append(new_tape) # pylint: disable=function-redefined def processing_fn(res): return ( qml.math.sum(res) if isinstance(tape.measurements[0], qml.measurements.ExpectationMP) else qml.math.sum(res) * len(res) ) return tapes, processing_fn