kgrid.py 文件源码

def cv_SVR( xM, yV, svr_params, n_splits = 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
    """ 
    print(xM.shape, yV.shape)

    clf = svm.SVR( **svr_params)
    kf_n_c = model_selection.KFold( n_splits=n_splits, shuffle=shuffle)
    kf_n = kf5_ext_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:')
        kutil.cv_show( yV, yV_pred, grid_std = grid_std)

    return yV_pred