ContinuousTimeMSM.
score
(sequences, y=None)¶Score the model on new data using the generalized matrix Rayleigh quotient
Parameters: | sequences (list of array-like) – List of sequences, or a single sequence. Each sequence should be a 1D iterable of state labels. Labels can be integers, strings, or other orderable objects. |
---|---|
Returns: | gmrq – Generalized matrix Rayleigh quotient. This number indicates how
well the top n_timescales+1 eigenvectors of this model perform
as slowly decorrelating collective variables for the new data in
sequences . |
Return type: | float |
References
[1] | McGibbon, R. T. and V. S. Pande, “Variational cross-validation of slow dynamical modes in molecular kinetics” J. Chem. Phys. 142, 124105 (2015) |