no code implementations • 28 Jul 2023 • Sebastian Peitz, Hans Harder, Feliks Nüske, Friedrich Philipp, Manuel Schaller, Karl Worthmann
The Koopman operator has become an essential tool for data-driven analysis, prediction and control of complex systems, the main reason being the enormous potential of identifying linear function space representations of nonlinear dynamics from measurements.
no code implementations • 31 Mar 2021 • Stefan Klus, Patrick Gelß, Feliks Nüske, Frank Noé
We derive symmetric and antisymmetric kernels by symmetrizing and antisymmetrizing conventional kernels and analyze their properties.
1 code implementation • 27 May 2020 • Stefan Klus, Feliks Nüske, Boumediene Hamzi
Furthermore, we exploit that, under certain conditions, the Schr\"odinger operator can be transformed into a Kolmogorov backward operator corresponding to a drift-diffusion process and vice versa.
no code implementations • 23 Sep 2019 • Stefan Klus, Feliks Nüske, Sebastian Peitz, Jan-Hendrik Niemann, Cecilia Clementi, Christof Schütte
We derive a data-driven method for the approximation of the Koopman generator called gEDMD, which can be regarded as a straightforward extension of EDMD (extended dynamic mode decomposition).
1 code implementation • 12 Aug 2019 • Feliks Nüske, Patrick Gelß, Stefan Klus, Cecilia Clementi
Recent years have seen rapid advances in the data-driven analysis of dynamical systems based on Koopman operator theory and related approaches.
1 code implementation • 6 Dec 2017 • Lorenzo Boninsegna, Feliks Nüske, Cecilia Clementi
With the rapid increase of available data for complex systems, there is great interest in the extraction of physically relevant information from massive datasets.
Ranked #1 on Denoising on Darmstadt Noise Dataset
no code implementations • 20 Oct 2016 • Hao Wu, Feliks Nüske, Fabian Paul, Stefan Klus, Peter Koltai, Frank Noé
Recently, a powerful generalization of MSMs has been introduced, the variational approach (VA) of molecular kinetics and its special case the time-lagged independent component analysis (TICA), which allow us to approximate slow collective variables and molecular kinetics by linear combinations of smooth basis functions or order parameters.