1 code implementation • 5 Dec 2023 • Thomas Gaskin, Tim Conrad, Grigorios A. Pavliotis, Christof Schütte
The recent COVID-19 pandemic has thrown the importance of accurately forecasting contagion dynamics and learning infection parameters into sharp focus.
no code implementations • 1 Jul 2023 • Wei zhang, Christof Schütte
High-dimensional metastable molecular system can often be characterised by a few features of the system, i. e. collective variables (CVs).
no code implementations • 4 May 2023 • Matthias Plock, Martin Hammerschmidt, Sven Burger, Philipp-Immanuel Schneider, Christof Schütte
In optical nano metrology numerical models are used widely for parameter reconstructions.
no code implementations • 13 Dec 2021 • Niklas Wulkow, Péter Koltai, Vikram Sunkara, Christof Schütte
We present a numerical method to model dynamical systems from data.
no code implementations • 4 Mar 2021 • Luzie Helfmann, Jobst Heitzig, Péter Koltai, Jürgen Kurths, Christof Schütte
Agent-based models are a natural choice for modeling complex social systems.
Dimensionality Reduction Physics and Society
1 code implementation • 7 Jan 2021 • Alejandro Carderera, Sebastian Pokutta, Christof Schütte, Martin Weiser
Governing equations are essential to the study of nonlinear dynamics, often enabling the prediction of previously unseen behaviors as well as the inclusion into control strategies.
Dynamical Systems Applications
1 code implementation • 14 Dec 2020 • Jan-Hendrik Niemann, Stefan Klus, Christof Schütte
The dynamical behavior of social systems can be described by agent-based models.
1 code implementation • 25 Nov 2020 • Patrick Gelß, Stefan Klus, Ingmar Schuster, Christof Schütte
We propose a method for the approximation of high- or even infinite-dimensional feature vectors, which play an important role in supervised learning.
1 code implementation • 29 May 2020 • Margarita Kostré, Christof Schütte, Frank Noé, Mauricio J. del Razo
In this work, we develop modeling and numerical schemes for particle-based reaction-diffusion in an open setting, where the reservoirs are mediated by reaction-diffusion PDEs.
Quantitative Methods Chemical Physics Computational Physics 92C40, 92C45, 60J70, 60Gxx, 70Lxx
no code implementations • 2 Apr 2020 • Mattes Mollenhauer, Stefan Klus, Christof Schütte, Péter Koltai
We consider autocovariance operators of a stationary stochastic process on a Polish space that is embedded into a reproducing kernel Hilbert space.
1 code implementation • 18 Feb 2020 • Luzie Helfmann, Enric Ribera Borrell, Christof Schütte, Péter Koltai
Given two distinct subsets $A, B$ in the state space of some dynamical system, Transition Path Theory (TPT) was successfully used to describe the statistical behavior of transitions from $A$ to $B$ in the ergodic limit of the stationary system.
Dynamical Systems 60J22, 82C26, 60J45, 60J10
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 • 18 Apr 2019 • Andreas Bittracher, Stefan Klus, Boumediene Hamzi, Péter Koltai, Christof Schütte
We present a novel kernel-based machine learning algorithm for identifying the low-dimensional geometry of the effective dynamics of high-dimensional multiscale stochastic systems.
1 code implementation • 13 Feb 2019 • Wei zhang, Stefan Klus, Tim Conrad, Christof Schütte
We develop a data-driven method to learn chemical reaction networks from trajectory data.
Optimization and Control 92C42, 62M86
no code implementations • 28 Sep 2018 • Stefan Klus, Andreas Bittracher, Ingmar Schuster, Christof Schütte
We present a novel machine learning approach to understanding conformation dynamics of biomolecules.
no code implementations • 24 Jul 2018 • Mattes Mollenhauer, Ingmar Schuster, Stefan Klus, Christof Schütte
Reproducing kernel Hilbert spaces (RKHSs) play an important role in many statistics and machine learning applications ranging from support vector machines to Gaussian processes and kernel embeddings of distributions.
1 code implementation • 30 Nov 2016 • Ilja Klebanov, Alexander Sikorski, Christof Schütte, Susanna Röblitz
Motivated by this principle and following an information-theoretic approach similar to the construction of reference priors, we suggest a penalty term that guarantees this kind of invariance.
Methodology 62G07
no code implementations • 11 Jun 2015 • Tim Conrad, Martin Genzel, Nada Cvetkovic, Niklas Wulkow, Alexander Leichtle, Jan Vybiral, Gitta Kutyniok, Christof Schütte
Results: We present a new algorithm, Sparse Proteomics Analysis (SPA), based on the theory of compressed sensing that allows us to identify a minimal discriminating set of features from mass spectrometry data-sets.