A kernel-based approach to molecular conformation analysis

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A kernel-based approach to molecular conformation analysis

28 September 2018

Ingmar Schuster

Christof Schütte

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Papers citing "A kernel-based approach to molecular conformation analysis"

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Title
Kernel Dynamic Mode Decomposition For Sparse Reconstruction of Closable Koopman Operators Nishant Panda Himanshu Singh J. Nathan Kutz 97 0 0 11 May 2025
Dynamical systems and complex networks: A Koopman operator perspective Stefan Klus Natavsa Djurdjevac Conrad 51 3 0 14 May 2024
Learning Transfer Operators by Kernel Density Estimation Sudam Surasinghe Jeremie Fish Erik Bollt 27 2 0 01 Aug 2022
Koopman-based spectral clustering of directed and time-evolving graphs Stefan Klus Nataša Djurdjevac Conrad 47 11 0 06 Apr 2022
CKNet: A Convolutional Neural Network Based on Koopman Operator for Modeling Latent Dynamics from Pixels Yongqian Xiao Xin Xu Yifei Shi 60 9 0 19 Feb 2021
GraphKKE: Graph Kernel Koopman Embedding for Human Microbiome Analysis K. Melnyk Stefan Klus G. Montavon Tim Conrad 44 11 0 12 Aug 2020
Kernel-based approximation of the Koopman generator and Schrödinger operator Stefan Klus Feliks Nuske B. Hamzi 70 59 0 27 May 2020
Kernel Autocovariance Operators of Stationary Processes: Estimation and Convergence Mattes Mollenhauer Stefan Klus Christof Schütte P. Koltai 75 9 0 02 Apr 2020
Dimensionality Reduction of Complex Metastable Systems via Kernel Embeddings of Transition Manifolds A. Bittracher Stefan Klus B. Hamzi P. Koltai Christof Schütte 78 22 0 18 Apr 2019
Kernel methods for detecting coherent structures in dynamical data Stefan Klus B. Husic Mattes Mollenhauer Frank Noé 57 29 0 16 Apr 2019
MONK -- Outlier-Robust Mean Embedding Estimation by Median-of-Means M. Lerasle Z. Szabó Gaspar Massiot Guillaume Lecué 217 36 0 13 Feb 2018
Eigendecompositions of Transfer Operators in Reproducing Kernel Hilbert Spaces Stefan Klus Ingmar Schuster Krikamol Muandet 93 122 0 05 Dec 2017