140 different hyperparameters were randomly sampled from the search space described by Table . Each set of hyperparameters and their corresponding model observables are known as a hyperparameter trial. Three different features, f , were used: The logistic distance feature may be described as a 'soft' or 'fuzzy' contact map: it takes on the value 0 for d c and a value of 1 for d c, and varies between these two extremes in the neighborhood of c with a steepness determined by s. The definitions of the contact distances (d) were either the closest heavy-atom distance (X-X) or the distance between the α-Carbons (Cα-Cα). The TICA eigenvectors were scaled by their eigenvalues (λ) so that distances in TICA space correspond to kinetic distances. The number of trials was approximately proportional to the number of hyperparameters for each feature: 20 trials for the dihedral feature, 40 for the contact distances (20 for each value of the contact distance scheme: X-X, Cα-Cα), and 80 for the logistic transformation of contact distances (which, in addition to the two distance scheme values, has two other hyperparameters, c and s).