Unknown eigenvalue structure for selecting approximation rank
Determine the number of large eigenvalues of the full-data kernel matrix used in the fast committor machine so as to inform the theoretically optimal choice of the RPCholesky approximation rank r, and develop practical methods to estimate this number from data.
References
Typical values of r range from 102–104, and the theoretical optimum depends on the number of large eigenvalues in the full-data kernel matrix [23] which is not known in practice.
— The fast committor machine: Interpretable prediction with kernels
(2405.10410 - Aristoff et al., 16 May 2024) in Subsection “Optimization of the hyperparameters” (Section 2.5)