jgrid.py 文件源码

def cv(method, xM, yV, alpha, n_folds=5, n_jobs=-1, grid_std=None, graph=True, shuffle=True):
    """
    method can be 'Ridge', 'Lasso'
    cross validation is performed so as to generate prediction output for all input molecules
    Return
    --------
    yV_pred
    """
    print(xM.shape, yV.shape)

    clf = getattr(linear_model, method)(alpha=alpha)
    kf_n_c = model_selection.KFold(n_splits=n_folds, shuffle=True)
    kf_n = kf_n_c.split(xM)
    yV_pred = model_selection.cross_val_predict(
        clf, xM, yV, cv=kf_n, n_jobs=n_jobs)

    if graph:
        print('The prediction output using cross-validation is given by:')
        jutil.cv_show(yV, yV_pred, grid_std=grid_std)

    return yV_pred