File: mxne_optim.py

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from __future__ import print_function
# Author: Alexandre Gramfort <alexandre.gramfort@telecom-paristech.fr>
#         Daniel Strohmeier <daniel.strohmeier@gmail.com>
#
# License: Simplified BSD

from math import sqrt

import numpy as np
from scipy import linalg

from .mxne_debiasing import compute_bias
from ..utils import logger, verbose, sum_squared, warn
from ..time_frequency.stft import stft_norm1, stft_norm2, stft, istft
from ..externals.six.moves import xrange as range


def groups_norm2(A, n_orient):
    """Compute squared L2 norms of groups inplace."""
    n_positions = A.shape[0] // n_orient
    return np.sum(np.power(A, 2, A).reshape(n_positions, -1), axis=1)


def norm_l2inf(A, n_orient, copy=True):
    """L2-inf norm."""
    if A.size == 0:
        return 0.0
    if copy:
        A = A.copy()
    return sqrt(np.max(groups_norm2(A, n_orient)))


def norm_l21(A, n_orient, copy=True):
    """L21 norm."""
    if A.size == 0:
        return 0.0
    if copy:
        A = A.copy()
    return np.sum(np.sqrt(groups_norm2(A, n_orient)))


def prox_l21(Y, alpha, n_orient, shape=None, is_stft=False):
    """Proximity operator for l21 norm.

    L2 over columns and L1 over rows => groups contain n_orient rows.

    It can eventually take into account the negative frequencies
    when a complex value is passed and is_stft=True.

    Parameters
    ----------
    Y : array, shape (n_sources, n_coefs)
        The input data.
    alpha : float
        The regularization parameter.
    n_orient : int
        Number of dipoles per locations (typically 1 or 3).
    shape : None | tuple
        Shape of TF coefficients matrix.
    is_stft : bool
        If True, Y contains TF coefficients.

    Returns
    -------
    Y : array, shape (n_sources, n_coefs)
        The output data.
    active_set : array of bool, shape (n_sources, )
        Mask of active sources

    Example
    -------
    >>> Y = np.tile(np.array([0, 4, 3, 0, 0], dtype=np.float), (2, 1))
    >>> Y = np.r_[Y, np.zeros_like(Y)]
    >>> print(Y)  # doctest:+SKIP
    [[ 0.  4.  3.  0.  0.]
     [ 0.  4.  3.  0.  0.]
     [ 0.  0.  0.  0.  0.]
     [ 0.  0.  0.  0.  0.]]
    >>> Yp, active_set = prox_l21(Y, 2, 2)
    >>> print(Yp)  # doctest:+SKIP
    [[0.         2.86862915 2.15147186 0.         0.        ]
     [0.         2.86862915 2.15147186 0.         0.        ]]
    >>> print(active_set)
    [ True  True False False]
    """
    if len(Y) == 0:
        return np.zeros_like(Y), np.zeros((0,), dtype=np.bool)
    if shape is not None:
        shape_init = Y.shape
        Y = Y.reshape(*shape)
    n_positions = Y.shape[0] // n_orient

    if is_stft:
        rows_norm = np.sqrt(stft_norm2(Y).reshape(n_positions, -1).sum(axis=1))
    else:
        rows_norm = np.sqrt((Y * Y.conj()).real.reshape(n_positions,
                                                        -1).sum(axis=1))
    # Ensure shrink is >= 0 while avoiding any division by zero
    shrink = np.maximum(1.0 - alpha / np.maximum(rows_norm, alpha), 0.0)
    active_set = shrink > 0.0
    if n_orient > 1:
        active_set = np.tile(active_set[:, None], [1, n_orient]).ravel()
        shrink = np.tile(shrink[:, None], [1, n_orient]).ravel()
    Y = Y[active_set]
    if shape is None:
        Y *= shrink[active_set][:, np.newaxis]
    else:
        Y *= shrink[active_set][:, np.newaxis, np.newaxis]
        Y = Y.reshape(-1, *shape_init[1:])
    return Y, active_set


def prox_l1(Y, alpha, n_orient):
    """Proximity operator for l1 norm with multiple orientation support.

    Please note that this function computes a soft-thresholding if
    n_orient == 1 and a block soft-thresholding (L2 over orientation and
    L1 over position (space + time)) if n_orient == 3. See also [1]_.

    Parameters
    ----------
    Y : array, shape (n_sources, n_coefs)
        The input data.
    alpha : float
        The regularization parameter.
    n_orient : int
        Number of dipoles per locations (typically 1 or 3).

    Returns
    -------
    Y : array, shape (n_sources, n_coefs)
        The output data.
    active_set : array of bool, shape (n_sources, )
        Mask of active sources.

    References
    ----------
    .. [1] A. Gramfort, D. Strohmeier, J. Haueisen, M. Hamalainen, M. Kowalski
       "Time-Frequency Mixed-Norm Estimates: Sparse M/EEG imaging with
       non-stationary source activations",
       Neuroimage, Volume 70, pp. 410-422, 15 April 2013.
       DOI: 10.1016/j.neuroimage.2012.12.051

    Example
    -------
    >>> Y = np.tile(np.array([1, 2, 3, 2, 0], dtype=np.float), (2, 1))
    >>> Y = np.r_[Y, np.zeros_like(Y)]
    >>> print(Y)  # doctest:+SKIP
    [[ 1.  2.  3.  2.  0.]
     [ 1.  2.  3.  2.  0.]
     [ 0.  0.  0.  0.  0.]
     [ 0.  0.  0.  0.  0.]]
    >>> Yp, active_set = prox_l1(Y, 2, 2)
    >>> print(Yp)  # doctest:+SKIP
    [[0.         0.58578644 1.58578644 0.58578644 0.        ]
     [0.         0.58578644 1.58578644 0.58578644 0.        ]]
    >>> print(active_set)
    [ True  True False False]
    """
    n_positions = Y.shape[0] // n_orient
    norms = np.sqrt((Y * Y.conj()).real.T.reshape(-1, n_orient).sum(axis=1))
    # Ensure shrink is >= 0 while avoiding any division by zero
    shrink = np.maximum(1.0 - alpha / np.maximum(norms, alpha), 0.0)
    shrink = shrink.reshape(-1, n_positions).T
    active_set = np.any(shrink > 0.0, axis=1)
    shrink = shrink[active_set]
    if n_orient > 1:
        active_set = np.tile(active_set[:, None], [1, n_orient]).ravel()
    Y = Y[active_set]
    if len(Y) > 0:
        for o in range(n_orient):
            Y[o::n_orient] *= shrink
    return Y, active_set


def dgap_l21(M, G, X, active_set, alpha, n_orient):
    """Duality gap for the mixed norm inverse problem.

    Parameters
    ----------
    M : array, shape (n_sensors, n_times)
        The data.
    G : array, shape (n_sensors, n_active)
        The gain matrix a.k.a. lead field.
    X : array, shape (n_active, n_times)
        Sources.
    active_set : array of bool, shape (n_sources, )
        Mask of active sources.
    alpha : float
        The regularization parameter.
    n_orient : int
        Number of dipoles per locations (typically 1 or 3).

    Returns
    -------
    gap : float
        Dual gap.
    p_obj : float
        Primal objective.
    d_obj : float
        Dual objective. gap = p_obj - d_obj.
    R : array, shape (n_sensors, n_times)
        Current residual (M - G * X).

    References
    ----------
    .. [1] A. Gramfort, M. Kowalski, M. Hamalainen,
       "Mixed-norm estimates for the M/EEG inverse problem using accelerated
       gradient methods", Physics in Medicine and Biology, 2012.
       https://doi.org/10.1088/0031-9155/57/7/1937
    """
    GX = np.dot(G[:, active_set], X)
    R = M - GX
    penalty = norm_l21(X, n_orient, copy=True)
    nR2 = sum_squared(R)
    p_obj = 0.5 * nR2 + alpha * penalty

    dual_norm = norm_l2inf(np.dot(G.T, R), n_orient, copy=False)
    scaling = alpha / dual_norm
    scaling = min(scaling, 1.0)
    d_obj = (scaling - 0.5 * (scaling ** 2)) * nR2 + scaling * np.sum(R * GX)

    gap = p_obj - d_obj
    return gap, p_obj, d_obj, R


@verbose
def _mixed_norm_solver_prox(M, G, alpha, lipschitz_constant, maxit=200,
                            tol=1e-8, verbose=None, init=None, n_orient=1,
                            dgap_freq=10):
    """Solve L21 inverse problem with proximal iterations and FISTA."""
    n_sensors, n_times = M.shape
    n_sensors, n_sources = G.shape

    if n_sources < n_sensors:
        gram = np.dot(G.T, G)
        GTM = np.dot(G.T, M)
    else:
        gram = None

    if init is None:
        X = 0.0
        R = M.copy()
        if gram is not None:
            R = np.dot(G.T, R)
    else:
        X = init
        if gram is None:
            R = M - np.dot(G, X)
        else:
            R = GTM - np.dot(gram, X)

    t = 1.0
    Y = np.zeros((n_sources, n_times))  # FISTA aux variable
    E = []  # track primal objective function
    highest_d_obj = - np.inf
    active_set = np.ones(n_sources, dtype=np.bool)  # start with full AS

    for i in range(maxit):
        X0, active_set_0 = X, active_set  # store previous values
        if gram is None:
            Y += np.dot(G.T, R) / lipschitz_constant  # ISTA step
        else:
            Y += R / lipschitz_constant  # ISTA step
        X, active_set = prox_l21(Y, alpha / lipschitz_constant, n_orient)

        t0 = t
        t = 0.5 * (1.0 + sqrt(1.0 + 4.0 * t ** 2))
        Y.fill(0.0)
        dt = ((t0 - 1.0) / t)
        Y[active_set] = (1.0 + dt) * X
        Y[active_set_0] -= dt * X0
        Y_as = active_set_0 | active_set

        if gram is None:
            R = M - np.dot(G[:, Y_as], Y[Y_as])
        else:
            R = GTM - np.dot(gram[:, Y_as], Y[Y_as])

        if (i + 1) % dgap_freq == 0:
            _, p_obj, d_obj, _ = dgap_l21(M, G, X, active_set, alpha,
                                          n_orient)
            highest_d_obj = max(d_obj, highest_d_obj)
            gap = p_obj - highest_d_obj
            E.append(p_obj)
            logger.debug("p_obj : %s -- gap : %s" % (p_obj, gap))
            if gap < tol:
                logger.debug('Convergence reached ! (gap: %s < %s)' % (gap,
                             tol))
                break
    return X, active_set, E


@verbose
def _mixed_norm_solver_cd(M, G, alpha, lipschitz_constant, maxit=10000,
                          tol=1e-8, verbose=None, init=None, n_orient=1,
                          dgap_freq=10):
    """Solve L21 inverse problem with coordinate descent."""
    from sklearn.linear_model.coordinate_descent import MultiTaskLasso

    n_sensors, n_times = M.shape
    n_sensors, n_sources = G.shape

    if init is not None:
        init = init.T

    clf = MultiTaskLasso(alpha=alpha / len(M), tol=tol / sum_squared(M),
                         normalize=False, fit_intercept=False, max_iter=maxit,
                         warm_start=True)
    clf.coef_ = init
    clf.fit(G, M)

    X = clf.coef_.T
    active_set = np.any(X, axis=1)
    X = X[active_set]
    gap, p_obj, d_obj, _ = dgap_l21(M, G, X, active_set, alpha, n_orient)
    return X, active_set, p_obj


@verbose
def _mixed_norm_solver_bcd(M, G, alpha, lipschitz_constant, maxit=200,
                           tol=1e-8, verbose=None, init=None, n_orient=1,
                           dgap_freq=10):
    """Solve L21 inverse problem with block coordinate descent."""
    # First make G fortran for faster access to blocks of columns
    G = np.asfortranarray(G)

    n_sensors, n_times = M.shape
    n_sensors, n_sources = G.shape
    n_positions = n_sources // n_orient

    if init is None:
        X = np.zeros((n_sources, n_times))
        R = M.copy()
    else:
        X = init
        R = M - np.dot(G, X)

    E = []  # track primal objective function
    highest_d_obj = - np.inf
    active_set = np.zeros(n_sources, dtype=np.bool)  # start with full AS

    alpha_lc = alpha / lipschitz_constant

    for i in range(maxit):
        for j in range(n_positions):
            idx = slice(j * n_orient, (j + 1) * n_orient)

            G_j = G[:, idx]
            X_j = X[idx]

            X_j_new = np.dot(G_j.T, R) / lipschitz_constant[j]

            was_non_zero = np.any(X_j)
            if was_non_zero:
                R += np.dot(G_j, X_j)
                X_j_new += X_j

            block_norm = linalg.norm(X_j_new, 'fro')
            if block_norm <= alpha_lc[j]:
                X_j.fill(0.)
                active_set[idx] = False
            else:
                shrink = np.maximum(1.0 - alpha_lc[j] / block_norm, 0.0)
                X_j_new *= shrink
                R -= np.dot(G_j, X_j_new)
                X_j[:] = X_j_new
                active_set[idx] = True

        if (i + 1) % dgap_freq == 0:
            _, p_obj, d_obj, _ = dgap_l21(M, G, X[active_set], active_set,
                                          alpha, n_orient)
            highest_d_obj = max(d_obj, highest_d_obj)
            gap = p_obj - highest_d_obj
            E.append(p_obj)
            logger.debug("Iteration %d :: p_obj %f :: dgap %f :: n_active %d" %
                         (i + 1, p_obj, gap, np.sum(active_set) / n_orient))

            if gap < tol:
                logger.debug('Convergence reached ! (gap: %s < %s)' % (gap,
                             tol))
                break

    X = X[active_set]

    return X, active_set, E


@verbose
def mixed_norm_solver(M, G, alpha, maxit=3000, tol=1e-8, verbose=None,
                      active_set_size=50, debias=True, n_orient=1,
                      solver='auto', return_gap=False, dgap_freq=10):
    """Solve L1/L2 mixed-norm inverse problem with active set strategy.

    Parameters
    ----------
    M : array, shape (n_sensors, n_times)
        The data.
    G : array, shape (n_sensors, n_dipoles)
        The gain matrix a.k.a. lead field.
    alpha : float
        The regularization parameter. It should be between 0 and 100.
        A value of 100 will lead to an empty active set (no active source).
    maxit : int
        The number of iterations.
    tol : float
        Tolerance on dual gap for convergence checking.
    verbose : bool, str, int, or None
        If not None, override default verbose level (see :func:`mne.verbose`
        and :ref:`Logging documentation <tut_logging>` for more).
    active_set_size : int
        Size of active set increase at each iteration.
    debias : bool
        Debias source estimates.
    n_orient : int
        The number of orientation (1 : fixed or 3 : free or loose).
    solver : 'prox' | 'cd' | 'bcd' | 'auto'
        The algorithm to use for the optimization.
    return_gap : bool
        Return final duality gap.
    dgap_freq : int
        The duality gap is computed every dgap_freq iterations of the solver on
        the active set.

    Returns
    -------
    X : array, shape (n_active, n_times)
        The source estimates.
    active_set : array
        The mask of active sources.
    E : list
        The value of the objective function over the iterations.
    gap : float
        Final duality gap. Returned only if return_gap is True.

    References
    ----------
    .. [1] A. Gramfort, M. Kowalski, M. Hamalainen,
       "Mixed-norm estimates for the M/EEG inverse problem using accelerated
       gradient methods", Physics in Medicine and Biology, 2012.
       https://doi.org/10.1088/0031-9155/57/7/1937

    .. [2] D. Strohmeier, Y. Bekhti, J. Haueisen, A. Gramfort,
       "The Iterative Reweighted Mixed-Norm Estimate for Spatio-Temporal
       MEG/EEG Source Reconstruction", IEEE Transactions of Medical Imaging,
       Volume 35 (10), pp. 2218-2228, 15 April 2013.
    """
    n_dipoles = G.shape[1]
    n_positions = n_dipoles // n_orient
    n_sensors, n_times = M.shape
    alpha_max = norm_l2inf(np.dot(G.T, M), n_orient, copy=False)
    logger.info("-- ALPHA MAX : %s" % alpha_max)
    alpha = float(alpha)

    has_sklearn = True
    try:
        from sklearn.linear_model.coordinate_descent import MultiTaskLasso  # noqa: F401,E501
    except ImportError:
        has_sklearn = False

    if solver == 'auto':
        if has_sklearn and (n_orient == 1):
            solver = 'cd'
        else:
            solver = 'bcd'

    if solver == 'cd':
        if n_orient == 1 and not has_sklearn:
            warn('Scikit-learn >= 0.12 cannot be found. Using block coordinate'
                 ' descent instead of coordinate descent.')
            solver = 'bcd'
        if n_orient > 1:
            warn('Coordinate descent is only available for fixed orientation. '
                 'Using block coordinate descent instead of coordinate '
                 'descent')
            solver = 'bcd'

    if solver == 'cd':
        logger.info("Using coordinate descent")
        l21_solver = _mixed_norm_solver_cd
        lc = None
    elif solver == 'bcd':
        logger.info("Using block coordinate descent")
        l21_solver = _mixed_norm_solver_bcd
        G = np.asfortranarray(G)
        if n_orient == 1:
            lc = np.sum(G * G, axis=0)
        else:
            lc = np.empty(n_positions)
            for j in range(n_positions):
                G_tmp = G[:, (j * n_orient):((j + 1) * n_orient)]
                lc[j] = linalg.norm(np.dot(G_tmp.T, G_tmp), ord=2)
    else:
        logger.info("Using proximal iterations")
        l21_solver = _mixed_norm_solver_prox
        lc = 1.01 * linalg.norm(G, ord=2) ** 2

    if active_set_size is not None:
        E = list()
        highest_d_obj = - np.inf
        X_init = None
        active_set = np.zeros(n_dipoles, dtype=np.bool)
        idx_large_corr = np.argsort(groups_norm2(np.dot(G.T, M), n_orient))
        new_active_idx = idx_large_corr[-active_set_size:]
        if n_orient > 1:
            new_active_idx = (n_orient * new_active_idx[:, None] +
                              np.arange(n_orient)[None, :]).ravel()
        active_set[new_active_idx] = True
        as_size = np.sum(active_set)
        for k in range(maxit):
            if solver == 'bcd':
                lc_tmp = lc[active_set[::n_orient]]
            elif solver == 'cd':
                lc_tmp = None
            else:
                lc_tmp = 1.01 * linalg.norm(G[:, active_set], ord=2) ** 2
            X, as_, _ = l21_solver(M, G[:, active_set], alpha, lc_tmp,
                                   maxit=maxit, tol=tol, init=X_init,
                                   n_orient=n_orient, dgap_freq=dgap_freq)
            active_set[active_set] = as_.copy()
            idx_old_active_set = np.where(active_set)[0]

            _, p_obj, d_obj, R = dgap_l21(M, G, X, active_set, alpha,
                                          n_orient)
            highest_d_obj = max(d_obj, highest_d_obj)
            gap = p_obj - highest_d_obj
            E.append(p_obj)
            logger.info("Iteration %d :: p_obj %f :: dgap %f ::"
                        "n_active_start %d :: n_active_end %d" % (
                            k + 1, p_obj, gap, as_size // n_orient,
                            np.sum(active_set) // n_orient))
            if gap < tol:
                logger.info('Convergence reached ! (gap: %s < %s)'
                            % (gap, tol))
                break

            # add sources if not last iteration
            if k < (maxit - 1):
                idx_large_corr = np.argsort(groups_norm2(np.dot(G.T, R),
                                            n_orient))
                new_active_idx = idx_large_corr[-active_set_size:]
                if n_orient > 1:
                    new_active_idx = (n_orient * new_active_idx[:, None] +
                                      np.arange(n_orient)[None, :])
                    new_active_idx = new_active_idx.ravel()
                active_set[new_active_idx] = True
                idx_active_set = np.where(active_set)[0]
                as_size = np.sum(active_set)
                X_init = np.zeros((as_size, n_times), dtype=X.dtype)
                idx = np.searchsorted(idx_active_set, idx_old_active_set)
                X_init[idx] = X
        else:
            warn('Did NOT converge ! (gap: %s > %s)' % (gap, tol))
    else:
        X, active_set, E = l21_solver(M, G, alpha, lc, maxit=maxit,
                                      tol=tol, n_orient=n_orient, init=None)
        if return_gap:
            gap = dgap_l21(M, G, X, active_set, alpha, n_orient)[0]

    if np.any(active_set) and debias:
        bias = compute_bias(M, G[:, active_set], X, n_orient=n_orient)
        X *= bias[:, np.newaxis]

    logger.info('Final active set size: %s' % (np.sum(active_set) // n_orient))

    if return_gap:
        return X, active_set, E, gap
    else:
        return X, active_set, E


@verbose
def iterative_mixed_norm_solver(M, G, alpha, n_mxne_iter, maxit=3000,
                                tol=1e-8, verbose=None, active_set_size=50,
                                debias=True, n_orient=1, dgap_freq=10,
                                solver='auto'):
    """Solve L0.5/L2 mixed-norm inverse problem with active set strategy.

    Parameters
    ----------
    M : array, shape (n_sensors, n_times)
        The data.
    G : array, shape (n_sensors, n_dipoles)
        The gain matrix a.k.a. lead field.
    alpha : float
        The regularization parameter. It should be between 0 and 100.
        A value of 100 will lead to an empty active set (no active source).
    n_mxne_iter : int
        The number of MxNE iterations. If > 1, iterative reweighting
        is applied.
    maxit : int
        The number of iterations.
    tol : float
        Tolerance on dual gap for convergence checking.
    verbose : bool, str, int, or None
        If not None, override default verbose level (see :func:`mne.verbose`
        and :ref:`Logging documentation <tut_logging>` for more).
    active_set_size : int
        Size of active set increase at each iteration.
    debias : bool
        Debias source estimates.
    n_orient : int
        The number of orientation (1 : fixed or 3 : free or loose).
    dgap_freq : int or np.inf
        The duality gap is evaluated every dgap_freq iterations.
    solver : 'prox' | 'cd' | 'bcd' | 'auto'
        The algorithm to use for the optimization.

    Returns
    -------
    X : array, shape (n_active, n_times)
        The source estimates.
    active_set : array
        The mask of active sources.
    E : list
        The value of the objective function over the iterations.

    References
    ----------
    .. [1] D. Strohmeier, Y. Bekhti, J. Haueisen, A. Gramfort,
       "The Iterative Reweighted Mixed-Norm Estimate for Spatio-Temporal
       MEG/EEG Source Reconstruction", IEEE Transactions of Medical Imaging,
       Volume 35 (10), pp. 2218-2228, 2016.
    """
    def g(w):
        return np.sqrt(np.sqrt(groups_norm2(w.copy(), n_orient)))

    def gprime(w):
        return 2. * np.repeat(g(w), n_orient).ravel()

    E = list()

    active_set = np.ones(G.shape[1], dtype=np.bool)
    weights = np.ones(G.shape[1])
    X = np.zeros((G.shape[1], M.shape[1]))

    for k in range(n_mxne_iter):
        X0 = X.copy()
        active_set_0 = active_set.copy()
        G_tmp = G[:, active_set] * weights[np.newaxis, :]

        if active_set_size is not None:
            if np.sum(active_set) > (active_set_size * n_orient):
                X, _active_set, _ = mixed_norm_solver(
                    M, G_tmp, alpha, debias=False, n_orient=n_orient,
                    maxit=maxit, tol=tol, active_set_size=active_set_size,
                    dgap_freq=dgap_freq, solver=solver, verbose=verbose)
            else:
                X, _active_set, _ = mixed_norm_solver(
                    M, G_tmp, alpha, debias=False, n_orient=n_orient,
                    maxit=maxit, tol=tol, active_set_size=None,
                    dgap_freq=dgap_freq, solver=solver, verbose=verbose)
        else:
            X, _active_set, _ = mixed_norm_solver(
                M, G_tmp, alpha, debias=False, n_orient=n_orient,
                maxit=maxit, tol=tol, active_set_size=None,
                dgap_freq=dgap_freq, solver=solver, verbose=verbose)

        logger.info('active set size %d' % (_active_set.sum() / n_orient))

        if _active_set.sum() > 0:
            active_set[active_set] = _active_set

            # Reapply weights to have correct unit
            X *= weights[_active_set][:, np.newaxis]
            weights = gprime(X)
            p_obj = 0.5 * linalg.norm(M - np.dot(G[:, active_set], X),
                                      'fro') ** 2. + alpha * np.sum(g(X))
            E.append(p_obj)

            # Check convergence
            if ((k >= 1) and np.all(active_set == active_set_0) and
                    np.all(np.abs(X - X0) < tol)):
                print('Convergence reached after %d reweightings!' % k)
                break
        else:
            active_set = np.zeros_like(active_set)
            p_obj = 0.5 * linalg.norm(M) ** 2.
            E.append(p_obj)
            break

    if np.any(active_set) and debias:
        bias = compute_bias(M, G[:, active_set], X, n_orient=n_orient)
        X *= bias[:, np.newaxis]

    return X, active_set, E


###############################################################################
# TF-MxNE

@verbose
def tf_lipschitz_constant(M, G, phi, phiT, tol=1e-3, verbose=None):
    """Compute lipschitz constant for FISTA.

    It uses a power iteration method.
    """
    n_times = M.shape[1]
    n_points = G.shape[1]
    iv = np.ones((n_points, n_times), dtype=np.float)
    v = phi(iv)
    L = 1e100
    for it in range(100):
        L_old = L
        logger.info('Lipschitz estimation: iteration = %d' % it)
        iv = np.real(phiT(v))
        Gv = np.dot(G, iv)
        GtGv = np.dot(G.T, Gv)
        w = phi(GtGv)
        L = np.max(np.abs(w))  # l_inf norm
        v = w / L
        if abs((L - L_old) / L_old) < tol:
            break
    return L


def safe_max_abs(A, ia):
    """Compute np.max(np.abs(A[ia])) possible with empty A."""
    if np.sum(ia):  # ia is not empty
        return np.max(np.abs(A[ia]))
    else:
        return 0.


def safe_max_abs_diff(A, ia, B, ib):
    """Compute np.max(np.abs(A)) possible with empty A."""
    A = A[ia] if np.sum(ia) else 0.0
    B = B[ib] if np.sum(ia) else 0.0
    return np.max(np.abs(A - B))


class _Phi(object):
    """Have phi stft as callable w/o using a lambda that does not pickle."""

    def __init__(self, wsize, tstep, n_coefs):  # noqa: D102
        self.wsize = np.atleast_1d(wsize)
        self.tstep = np.atleast_1d(tstep)
        self.n_coefs = np.atleast_1d(n_coefs)
        self.n_dicts = len(tstep)
        self.n_freqs = wsize // 2 + 1
        self.n_steps = self.n_coefs // self.n_freqs

    def __call__(self, x):  # noqa: D105
        if self.n_dicts == 1:
            return stft(x, self.wsize[0], self.tstep[0],
                        verbose=False).reshape(-1, self.n_coefs[0])
        else:
            return np.hstack(
                [stft(x, self.wsize[i], self.tstep[i], verbose=False).reshape(
                 -1, self.n_coefs[i]) for i in range(self.n_dicts)]) / np.sqrt(
                self.n_dicts)

    def norm(self, z, ord=2):
        """Squared L2 norm if ord == 2 and L1 norm if order == 1."""
        if ord not in (1, 2):
            raise ValueError('Only supported norm order are 1 and 2. '
                             'Got ord = %s' % ord)
        stft_norm = stft_norm1 if ord == 1 else stft_norm2
        norm = 0.
        if len(self.n_coefs) > 1:
            z_ = np.array_split(np.atleast_2d(z), np.cumsum(self.n_coefs)[:-1],
                                axis=1)
        else:
            z_ = [np.atleast_2d(z)]
        for i in range(len(z_)):
            norm += stft_norm(
                z_[i].reshape(-1, self.n_freqs[i], self.n_steps[i]))
        return norm


class _PhiT(object):
    """Have phi.T istft as callable w/o using a lambda that does not pickle."""

    def __init__(self, tstep, n_freqs, n_steps, n_times):  # noqa: D102
        self.tstep = tstep
        self.n_freqs = n_freqs
        self.n_steps = n_steps
        self.n_times = n_times
        self.n_dicts = len(tstep) if isinstance(tstep, np.ndarray) else 1
        self.n_coefs = self.n_freqs * self.n_steps

    def __call__(self, z):  # noqa: D105
        if self.n_dicts == 1:
            return istft(z.reshape(-1, self.n_freqs[0], self.n_steps[0]),
                         self.tstep[0], self.n_times)
        else:
            x_out = np.zeros((z.shape[0], self.n_times))
            z_ = np.array_split(z, np.cumsum(self.n_coefs)[:-1], axis=1)
            for i in range(self.n_dicts):
                x_out += istft(z_[i].reshape(-1, self.n_freqs[i],
                               self.n_steps[i]), self.tstep[i],
                               self.n_times)
            return x_out / np.sqrt(self.n_dicts)


def norm_l21_tf(Z, phi, n_orient):
    """L21 norm for TF."""
    if Z.shape[0]:
        l21_norm = np.sqrt(phi.norm(Z, ord=2).reshape(-1,
                           n_orient).sum(axis=1))
        l21_norm = l21_norm.sum()
    else:
        l21_norm = 0.
    return l21_norm


def norm_l1_tf(Z, phi, n_orient):
    """L1 norm for TF."""
    if Z.shape[0]:
        n_positions = Z.shape[0] // n_orient
        Z_ = np.sqrt(np.sum((np.abs(Z) ** 2.).reshape((n_orient, -1),
                     order='F'), axis=0))
        Z_ = Z_.reshape((n_positions, -1), order='F')
        l1_norm = phi.norm(Z_, ord=1).sum()
    else:
        l1_norm = 0.
    return l1_norm


def norm_epsilon(Y, l1_ratio, phi):
    """Dual norm of (1. - l1_ratio) * L2 norm + l1_ratio * L1 norm, at Y.

    This is the unique solution in nu of
    norm(prox_l1(Y, nu * l1_ratio), ord=2) = (1. - l1_ratio) * nu.

    Warning: it takes into account the fact that Y only contains coefficients
    corresponding to the positive frequencies (see `stft_norm2()`).

    Parameters
    ----------
    Y : array, shape (n_freqs * n_steps,)
        The input data.
    l1_ratio : float between 0 and 1
        Tradeoff between L2 and L1 regularization. When it is 0, no temporal
        regularization is applied.
    phi : Instance of _Phi
        The TF operator.

    Returns
    -------
    nu : float
        The value of the dual norm evaluated at Y.

    References
    ----------
    .. [1] E. Ndiaye, O. Fercoq, A. Gramfort, J. Salmon,
       "GAP Safe Screening Rules for Sparse-Group Lasso", Advances in Neural
       Information Processing Systems (NIPS), 2016.
    """
    # since the solution is invariant to flipped signs in Y, all entries
    # of Y are assumed positive
    norm_inf_Y = np.max(Y)
    if l1_ratio == 1.:
        # dual norm of L1 is Linf
        return norm_inf_Y
    elif l1_ratio == 0.:
        # dual norm of L2 is L2
        return np.sqrt(phi.norm(Y[None, :], ord=2).sum())

    if norm_inf_Y == 0.:
        return 0.

    # get K largest values of Y:
    idx = Y > l1_ratio * norm_inf_Y
    K = idx.sum()
    if K == 1:
        return norm_inf_Y

    # Add negative freqs: count all freqs twice except first and last:
    weights = np.empty(len(Y), dtype=int)
    weights.fill(2)
    for i, w in enumerate(np.array_split(weights,
                          np.cumsum(phi.n_coefs)[:-1])):
        w[:phi.n_steps[i]] = 1
        w[-phi.n_steps[i]:] = 1

    # sort both Y and weights at the same time
    idx_sort = np.argsort(Y[idx])[::-1]
    Y = Y[idx][idx_sort]
    weights = weights[idx][idx_sort]

    Y = np.repeat(Y, weights)
    K = Y.shape[0]
    p_sum = np.cumsum(Y[:(K - 1)])
    p_sum_2 = np.cumsum(Y[:(K - 1)] ** 2)
    upper = p_sum_2 / Y[1:] ** 2 - 2. * p_sum / Y[1:] + np.arange(1, K)
    in_lower_upper = np.where(upper > (1. - l1_ratio) ** 2 / l1_ratio ** 2)[0]
    if in_lower_upper.size > 0:
        j = in_lower_upper[0] + 1
        p_sum = p_sum[in_lower_upper[0]]
        p_sum_2 = p_sum_2[in_lower_upper[0]]
    else:
        j = K
        p_sum = p_sum[-1] + Y[K - 1]
        p_sum_2 = p_sum_2[-1] + Y[K - 1] ** 2

    denom = l1_ratio ** 2 * j - (1. - l1_ratio) ** 2
    if np.abs(denom) < 1e-10:
        return p_sum_2 / (2. * l1_ratio * p_sum)
    else:
        delta = (l1_ratio * p_sum) ** 2 - p_sum_2 * denom
        return (l1_ratio * p_sum - np.sqrt(delta)) / denom


def norm_epsilon_inf(G, R, phi, l1_ratio, n_orient):
    """epsilon-inf norm of phi(np.dot(G.T, R)).

    Parameters
    ----------
    G : array, shape (n_sensors, n_sources)
        Gain matrix a.k.a. lead field.
    R : array, shape (n_sensors, n_times)
        Residual.
    phi : instance of _Phi
        The TF operator.
    l1_ratio : float between 0 and 1
        Parameter controlling the tradeoff between L21 and L1 regularization.
        0 corresponds to an absence of temporal regularization, ie MxNE.
    n_orient : int
        Number of dipoles per location (typically 1 or 3).

    Returns
    -------
    nu : float
        The maximum value of the epsilon norms over groups of n_orient dipoles
        (consecutive rows of phi(np.dot(G.T, R))).
    """
    n_positions = G.shape[1] // n_orient
    GTRPhi = np.abs(phi(np.dot(G.T, R))) ** 2
    # norm over orientations:
    GTRPhi = np.sqrt(np.sum(GTRPhi.reshape((n_orient, -1), order='F'),
                     axis=0)).reshape((n_positions, -1), order='F')
    nu = 0.
    for idx in range(n_positions):
        GTRPhi_ = GTRPhi[idx]
        norm_eps = norm_epsilon(GTRPhi_, l1_ratio, phi)
        if norm_eps > nu:
            nu = norm_eps

    return nu


def dgap_l21l1(M, G, Z, active_set, alpha_space, alpha_time, phi, phiT,
               n_orient, highest_d_obj):
    """Duality gap for the time-frequency mixed norm inverse problem.

    Parameters
    ----------
    M : array, shape (n_sensors, n_times)
        The data.
    G : array, shape (n_sensors, n_sources)
        Gain matrix a.k.a. lead field.
    Z : array, shape (n_active, n_coefs)
        Sources in TF domain.
    active_set : array of bool, shape (n_sources, )
        Mask of active sources.
    alpha_space : float
        The spatial regularization parameter.
    alpha_time : float
        The temporal regularization parameter. The higher it is the smoother
        will be the estimated time series.
    phi : instance of _Phi
        The TF operator.
    phiT : instance of _PhiT
        The transpose of the TF operator.
    n_orient : int
        Number of dipoles per locations (typically 1 or 3).
    highest_d_obj : float
        The highest value of the dual objective so far.

    Returns
    -------
    gap : float
        Dual gap
    p_obj : float
        Primal objective
    d_obj : float
        Dual objective. gap = p_obj - d_obj
    R : array, shape (n_sensors, n_times)
        Current residual (M - G * X)

    References
    ----------
    .. [1] A. Gramfort, M. Kowalski, M. Hamalainen,
       "Mixed-norm estimates for the M/EEG inverse problem using accelerated
       gradient methods", Physics in Medicine and Biology, 2012.
       https://doi.org/10.1088/0031-9155/57/7/1937

    .. [2] E. Ndiaye, O. Fercoq, A. Gramfort, J. Salmon,
       "GAP Safe Screening Rules for Sparse-Group Lasso", Advances in Neural
       Information Processing Systems (NIPS), 2016.
    """
    X = phiT(Z)
    GX = np.dot(G[:, active_set], X)
    R = M - GX
    penaltyl1 = norm_l1_tf(Z, phi, n_orient)
    penaltyl21 = norm_l21_tf(Z, phi, n_orient)
    nR2 = sum_squared(R)
    p_obj = 0.5 * nR2 + alpha_space * penaltyl21 + alpha_time * penaltyl1

    l1_ratio = alpha_time / (alpha_space + alpha_time)
    dual_norm = norm_epsilon_inf(G, R, phi, l1_ratio, n_orient)
    scaling = min(1., (alpha_space + alpha_time) / dual_norm)

    d_obj = (scaling - 0.5 * (scaling ** 2)) * nR2 + scaling * np.sum(R * GX)
    d_obj = max(d_obj, highest_d_obj)

    gap = p_obj - d_obj
    return gap, p_obj, d_obj, R


def _tf_mixed_norm_solver_bcd_(M, G, Z, active_set, candidates, alpha_space,
                               alpha_time, lipschitz_constant, phi, phiT,
                               n_orient=1, maxit=200, tol=1e-8, dgap_freq=10,
                               perc=None, timeit=True, verbose=None):

    # First make G fortran for faster access to blocks of columns
    G = np.asfortranarray(G)

    n_sensors, n_times = M.shape
    n_sources = G.shape[1]
    n_positions = n_sources // n_orient

    Gd = G.copy()
    G = dict(zip(np.arange(n_positions), np.hsplit(G, n_positions)))

    R = M.copy()  # residual
    active = np.where(active_set[::n_orient])[0]
    for idx in active:
        R -= np.dot(G[idx], phiT(Z[idx]))

    E = []  # track primal objective function

    alpha_time_lc = alpha_time / lipschitz_constant
    alpha_space_lc = alpha_space / lipschitz_constant

    converged = False
    d_obj = -np.Inf

    ii = -1
    while True:
        ii += 1
        for jj in candidates:
            ids = jj * n_orient
            ide = ids + n_orient

            G_j = G[jj]
            Z_j = Z[jj]
            active_set_j = active_set[ids:ide]

            was_active = np.any(active_set_j)

            # gradient step
            GTR = np.dot(G_j.T, R) / lipschitz_constant[jj]
            X_j_new = GTR.copy()

            if was_active:
                X_j = phiT(Z_j)
                R += np.dot(G_j, X_j)
                X_j_new += X_j

            rows_norm = linalg.norm(X_j_new, 'fro')
            if rows_norm <= alpha_space_lc[jj]:
                if was_active:
                    Z[jj] = 0.0
                    active_set_j[:] = False
            else:
                if was_active:
                    Z_j_new = Z_j + phi(GTR)
                else:
                    Z_j_new = phi(GTR)
                col_norm = np.sqrt(np.sum(np.abs(Z_j_new) ** 2, axis=0))

                if np.all(col_norm <= alpha_time_lc[jj]):
                    Z[jj] = 0.0
                    active_set_j[:] = False
                else:
                    # l1
                    shrink = np.maximum(1.0 - alpha_time_lc[jj] / np.maximum(
                                        col_norm, alpha_time_lc[jj]), 0.0)
                    Z_j_new *= shrink[np.newaxis, :]

                    # l21
                    shape_init = Z_j_new.shape
                    row_norm = np.sqrt(phi.norm(Z_j_new, ord=2).sum())
                    if row_norm <= alpha_space_lc[jj]:
                        Z[jj] = 0.0
                        active_set_j[:] = False
                    else:
                        shrink = np.maximum(1.0 - alpha_space_lc[jj] /
                                            np.maximum(row_norm,
                                            alpha_space_lc[jj]), 0.0)
                        Z_j_new *= shrink
                        Z[jj] = Z_j_new.reshape(-1, *shape_init[1:]).copy()
                        active_set_j[:] = True
                        R -= np.dot(G_j, phiT(Z[jj]))

        if (ii + 1) % dgap_freq == 0:
            Zd = np.vstack([Z[pos] for pos in range(n_positions)
                           if np.any(Z[pos])])
            gap, p_obj, d_obj, _ = dgap_l21l1(
                M, Gd, Zd, active_set, alpha_space, alpha_time, phi, phiT,
                n_orient, d_obj)
            converged = (gap < tol)
            E.append(p_obj)
            logger.info("\n    Iteration %d :: n_active %d" % (
                        ii + 1, np.sum(active_set) / n_orient))
            logger.info("    dgap %.2e :: p_obj %f :: d_obj %f" % (
                        gap, p_obj, d_obj))

        if converged:
            break

        if (ii == maxit - 1):
            converged = False
            break

        if perc is not None:
            if np.sum(active_set) / float(n_orient) <= perc * n_positions:
                break

    return Z, active_set, E, converged


@verbose
def _tf_mixed_norm_solver_bcd_active_set(M, G, alpha_space, alpha_time,
                                         lipschitz_constant, phi, phiT,
                                         Z_init=None, n_orient=1, maxit=200,
                                         tol=1e-8,  dgap_freq=10,
                                         verbose=None):

    n_sensors, n_times = M.shape
    n_sources = G.shape[1]
    n_positions = n_sources // n_orient

    Z = dict.fromkeys(np.arange(n_positions), 0.0)
    active_set = np.zeros(n_sources, dtype=np.bool)
    active = []
    if Z_init is not None:
        if Z_init.shape != (n_sources, phi.n_coefs.sum()):
            raise Exception('Z_init must be None or an array with shape '
                            '(n_sources, n_coefs).')
        for ii in range(n_positions):
            if np.any(Z_init[ii * n_orient:(ii + 1) * n_orient]):
                active_set[ii * n_orient:(ii + 1) * n_orient] = True
                active.append(ii)
        if len(active):
            Z.update(dict(zip(active, np.vsplit(Z_init[active_set],
                     len(active)))))

    E = []
    candidates = range(n_positions)
    d_obj = -np.inf

    while True:
        Z_init = dict.fromkeys(np.arange(n_positions), 0.0)
        Z_init.update(dict(zip(active, Z.values())))
        Z, active_set, E_tmp, _ = _tf_mixed_norm_solver_bcd_(
            M, G, Z_init, active_set, candidates, alpha_space, alpha_time,
            lipschitz_constant, phi, phiT, n_orient=n_orient, maxit=1, tol=tol,
            perc=None, verbose=verbose)

        E += E_tmp

        active = np.where(active_set[::n_orient])[0]
        Z_init = dict(zip(range(len(active)), [Z[idx] for idx in active]))
        candidates_ = range(len(active))
        Z, as_, E_tmp, converged = _tf_mixed_norm_solver_bcd_(
            M, G[:, active_set], Z_init,
            np.ones(len(active) * n_orient, dtype=np.bool),
            candidates_, alpha_space, alpha_time,
            lipschitz_constant[active_set[::n_orient]], phi, phiT,
            n_orient=n_orient, maxit=maxit, tol=tol,
            dgap_freq=dgap_freq, perc=0.5,
            verbose=verbose)
        active = np.where(active_set[::n_orient])[0]
        active_set[active_set] = as_.copy()
        E += E_tmp

        converged = True
        if converged:
            Zd = np.vstack([Z[pos] for pos in range(len(Z)) if np.any(Z[pos])])
            gap, p_obj, d_obj, _ = dgap_l21l1(
                M, G, Zd, active_set, alpha_space, alpha_time,
                phi, phiT, n_orient, d_obj)
            logger.info("\ndgap %.2e :: p_obj %f :: d_obj %f :: n_active %d"
                        % (gap, p_obj, d_obj, np.sum(active_set) / n_orient))
            if gap < tol:
                logger.info("\nConvergence reached!\n")
                break

    if active_set.sum():
        Z = np.vstack([Z[pos] for pos in range(len(Z)) if np.any(Z[pos])])
        X = phiT(Z)
    else:
        Z = np.zeros((0, phi.n_coefs.sum()), dtype=np.complex)
        X = np.zeros((0, n_times))

    return X, Z, active_set, E, gap


@verbose
def tf_mixed_norm_solver(M, G, alpha_space, alpha_time, wsize=64, tstep=4,
                         n_orient=1, maxit=200, tol=1e-8,
                         active_set_size=None, debias=True, return_gap=False,
                         dgap_freq=10, verbose=None):
    """Solve TF L21+L1 inverse solver with BCD and active set approach.

    Parameters
    ----------
    M : array, shape (n_sensors, n_times)
        The data.
    G : array, shape (n_sensors, n_dipoles)
        The gain matrix a.k.a. lead field.
    alpha_space : float
        The spatial regularization parameter.
    alpha_time : float
        The temporal regularization parameter. The higher it is the smoother
        will be the estimated time series.
    wsize: int or array-like
        Length of the STFT window in samples (must be a multiple of 4).
        If an array is passed, multiple TF dictionaries are used (each having
        its own wsize and tstep) and each entry of wsize must be a multiple
        of 4.
    tstep: int or array-like
        Step between successive windows in samples (must be a multiple of 2,
        a divider of wsize and smaller than wsize/2) (default: wsize/2).
        If an array is passed, multiple TF dictionaries are used (each having
        its own wsize and tstep), and each entry of tstep must be a multiple
        of 2 and divide the corresponding entry of wsize.
    n_orient : int
        The number of orientation (1 : fixed or 3 : free or loose).
    maxit : int
        The number of iterations.
    tol : float
        If absolute difference between estimates at 2 successive iterations
        is lower than tol, the convergence is reached.
    debias : bool
        Debias source estimates.
    return_gap : bool
        Return final duality gap.
    dgap_freq : int or np.inf
        The duality gap is evaluated every dgap_freq iterations.
    verbose : bool, str, int, or None
        If not None, override default verbose level (see :func:`mne.verbose`
        and :ref:`Logging documentation <tut_logging>` for more).

    Returns
    -------
    X : array, shape (n_active, n_times)
        The source estimates.
    active_set : array
        The mask of active sources.
    E : list
        The value of the objective function every dgap_freq iteration. If
        log_objective is False or dgap_freq is np.inf, it will be empty.
    gap : float
        Final duality gap. Returned only if return_gap is True.

    References
    ----------
    .. [1] A. Gramfort, D. Strohmeier, J. Haueisen, M. Hamalainen, M. Kowalski
       "Time-Frequency Mixed-Norm Estimates: Sparse M/EEG imaging with
       non-stationary source activations",
       Neuroimage, Volume 70, pp. 410-422, 15 April 2013.
       DOI: 10.1016/j.neuroimage.2012.12.051

    .. [2] A. Gramfort, D. Strohmeier, J. Haueisen, M. Hamalainen, M. Kowalski
       "Functional Brain Imaging with M/EEG Using Structured Sparsity in
       Time-Frequency Dictionaries",
       Proceedings Information Processing in Medical Imaging
       Lecture Notes in Computer Science, Volume 6801/2011, pp. 600-611, 2011.
       DOI: 10.1007/978-3-642-22092-0_49

    .. [3] Y. Bekhti, D. Strohmeier, M. Jas, R. Badeau, A. Gramfort.
       "M/EEG source localization with multiscale time-frequency dictionaries",
       6th International Workshop on Pattern Recognition in Neuroimaging
       (PRNI), 2016.
       DOI: 10.1109/PRNI.2016.7552337
    """
    n_sensors, n_times = M.shape
    n_sensors, n_sources = G.shape
    n_positions = n_sources // n_orient

    tstep = np.atleast_1d(tstep)
    wsize = np.atleast_1d(wsize)
    if len(tstep) != len(wsize):
        raise ValueError('The same number of window sizes and steps must be '
                         'passed. Got tstep = %s and wsize = %s' %
                         (tstep, wsize))

    n_steps = np.ceil(M.shape[1] / tstep.astype(float)).astype(int)
    n_freqs = wsize // 2 + 1
    n_coefs = n_steps * n_freqs
    phi = _Phi(wsize, tstep, n_coefs)
    phiT = _PhiT(tstep, n_freqs, n_steps, n_times)

    if n_orient == 1:
        lc = np.sum(G * G, axis=0)
    else:
        lc = np.empty(n_positions)
        for j in range(n_positions):
            G_tmp = G[:, (j * n_orient):((j + 1) * n_orient)]
            lc[j] = linalg.norm(np.dot(G_tmp.T, G_tmp), ord=2)

    logger.info("Using block coordinate descent with active set approach")
    X, Z, active_set, E, gap = _tf_mixed_norm_solver_bcd_active_set(
        M, G, alpha_space, alpha_time, lc, phi, phiT,
        Z_init=None, n_orient=n_orient, maxit=maxit, tol=tol,
        dgap_freq=dgap_freq, verbose=None)

    if np.any(active_set) and debias:
        bias = compute_bias(M, G[:, active_set], X, n_orient=n_orient)
        X *= bias[:, np.newaxis]

    if return_gap:
        return X, active_set, E, gap
    else:
        return X, active_set, E