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qutip / partial_transpose.py
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__all__ = ['partial_transpose']

import numpy as np
import scipy.sparse as sp

from . import (
    Qobj, state_index_number, state_number_index, state_number_enumerate,
)
from .core.dimensions import flatten


def partial_transpose(rho, mask, method='dense'):
    """
    Return the partial transpose of a Qobj instance `rho`,
    where `mask` is an array/list with length that equals
    the number of components of `rho` (that is, the length of
    `rho.dims[0]`), and the values in `mask` indicates whether
    or not the corresponding subsystem is to be transposed.
    The elements in `mask` can be boolean or integers `0` or `1`,
    where `True`/`1` indicates that the corresponding subsystem
    should be tranposed.

    Parameters
    ----------

    rho : :class:`.Qobj`
        A density matrix.

    mask : *list* / *array*
        A mask that selects which subsystems should be transposed.

    method : str {"dense", "sparse"}, default: "dense"
        Choice of method. The "sparse" implementation can be faster for
        large and sparse systems (hundreds of quantum states).

    Returns
    -------

    rho_pr: :class:`.Qobj`
        A density matrix with the selected subsystems transposed.

    """

    mask = [int(i) for i in mask]

    if method == 'sparse':
        return _partial_transpose_sparse(rho, mask)
    else:
        return _partial_transpose_dense(rho, mask)


def _partial_transpose_dense(rho, mask):
    """
    Based on Jonas' implementation using numpy.
    Very fast for dense problems.
    """
    nsys = len(mask)
    pt_dims = np.arange(2 * nsys).reshape(2, nsys).T
    pt_idx = np.concatenate([[pt_dims[n, mask[n]] for n in range(nsys)],
                            [pt_dims[n, 1 - mask[n]] for n in range(nsys)]])

    data = (rho.full()
            .reshape(flatten(rho.dims))
            .transpose(pt_idx)
            .reshape(rho.shape))
    return Qobj(data, dims=rho.dims)


def _partial_transpose_sparse(rho, mask):
    """
    Implement the partial transpose using the CSR sparse matrix.
    """

    data = sp.lil_matrix((rho.shape[0], rho.shape[1]), dtype=complex)
    rho_data = rho.to("CSR").data.as_scipy()

    for m in range(len(rho_data.indptr) - 1):

        n1 = rho_data.indptr[m]
        n2 = rho_data.indptr[m + 1]

        psi_A = state_index_number(rho.dims[0], m)

        for idx, n in enumerate(rho_data.indices[n1:n2]):

            psi_B = state_index_number(rho.dims[1], n)

            m_pt = state_number_index(
                rho.dims[1], np.choose(mask, [psi_A, psi_B]))
            n_pt = state_number_index(
                rho.dims[0], np.choose(mask, [psi_B, psi_A]))

            data[m_pt, n_pt] = rho_data.data[n1 + idx]

    return Qobj(data.tocsr(), dims=rho.dims)


def _partial_transpose_reference(rho, mask):
    """
    This is a reference implementation that explicitly loops over
    all states and performs the transpose. It's slow but easy to
    understand and useful for testing.
    """

    A_pt = np.zeros(rho.shape, dtype=complex)

    for psi_A in state_number_enumerate(rho.dims[0]):
        m = state_number_index(rho.dims[0], psi_A)

        for psi_B in state_number_enumerate(rho.dims[1]):
            n = state_number_index(rho.dims[1], psi_B)

            m_pt = state_number_index(
                rho.dims[1], np.choose(mask, [psi_A, psi_B]))
            n_pt = state_number_index(
                rho.dims[0], np.choose(mask, [psi_B, psi_A]))

            A_pt[m_pt, n_pt] = rho.to("CSR").data.as_scipy()[m, n]

    return Qobj(A_pt, dims=rho.dims)