Appendix 1—figure 5. VAMP-2 scoring results for optimal hyperparameter choice for tICA with distance features.

The distributions of test scores of all microstate number choices for all combinations of tICA mapping and lag times are shown as box-and-whisker plots. Bands of boxes show the first, second, and third quartiles, while whisker ends represent the lowest and highest scores still within 1.5 of the interquartile range from the first and third quartiles respectively. The models are described as follows: {tICA mapping}_{tICA lag time (in ns)}. Commute mapping performs significantly better than kinetic mapping and there is no significant difference in performance between the two lag times when commute mapping is used.