`Analytic`#

class mbgdml._gdml.solvers.analytic.Analytic(gdml_train, desc)[source]#

solve(task, R_desc, R_d_desc, tril_perms_lin, y)[source]#

Solve for \(\alpha\).

Parameters:

task (dict) – Properties of the training task.
R_desc (numpy.ndarray) – Array containing the descriptor for each training point. Computed from _r_to_desc().
R_d_desc (numpy.ndarray) – Array containing the gradient of the descriptor for each training point. Computed from _r_to_d_desc().
tril_perms_lin (numpy.ndarray, ndim: 1) – An array containing all recovered permutations expanded as one large permutation to be applied to a tiled copy of the object to be permuted.
y (numpy.ndarray, ndim: 1) – The train labels computed in train_labels().

Analytic#