Error Bounds for Dynamical Spectral Estimation

Dynamical spectral estimation is a well-established numerical approach for estimating eigenvalues and eigenfunctions of the Markov transition operator from trajectory data. Although has been widely applied in biomolecular simulations, its error properties remain poorly understood. Here we analyze dynamical method called “the variational to conformational dynamics" (VAC). We bound approximation VAC estimates. Our analysis establishes VAC's convergence suggests new strategies tuning improve accuracy.