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Publication search results
found 75 matches
- 2024
- Enric Ribera Borrell, Jannes Quer, Lorenz Richter, Christof Schütte:
Improving Control Based Importance Sampling Strategies for Metastable Diffusions via Adapted Metadynamics. SIAM J. Sci. Comput. 46(2): S298-S323 (2024) - 2023
- Christof Schütte, Stefan Klus, Carsten Hartmann:
Overcoming the timescale barrier in molecular dynamics: Transfer operators, variational principles and machine learning. Acta Numer. 32: 517-673 (2023) - Christopher Secker, Konstantin Fackeldey, Marcus Weber, Sourav Ray, Christoph Gorgulla, Christof Schütte:
Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists. J. Cheminformatics 15(1): 85 (2023) - Andreas Bittracher, Mattes Mollenhauer, Péter Koltai, Christof Schütte:
Optimal Reaction Coordinates: Variational Characterization and Sparse Computation. Multiscale Model. Simul. 21(2): 449-488 (2023) - Alberto Montefusco, Christof Schütte, Stefanie Winkelmann:
A Route to the Hydrodynamic Limit of a Reaction-Diffusion Master Equation Using Gradient Structures. SIAM J. Appl. Math. 83(2): 837-861 (2023) - Mustafa Chaukair, Christof Schütte, Vikram Sunkara:
On the Activation Space of ReLU equipped Deep Neural Networks. INNS DLIA@IJCNN 2023: 624-635 - Wei Zhang, Christof Schütte:
Understanding recent deep-learning techniques for identifying collective variables of molecular dynamics. CoRR abs/2307.00365 (2023) - Thomas Gaskin, Tim Conrad, Grigorios A. Pavliotis, Christof Schütte:
Neural parameter calibration and uncertainty quantification for epidemic forecasting. CoRR abs/2312.03147 (2023) - 2022
- Margarita Kostré, Vikram Sunkara, Christof Schütte, Natasa Djurdjevac Conrad:
Understanding the romanization spreading on historical interregional networks in Northern Tunisia. Appl. Netw. Sci. 7(1): 53 (2022) - Wei Zhang, Tiejun Li, Christof Schütte:
Solving eigenvalue PDEs of metastable diffusion processes using artificial neural networks. J. Comput. Phys. 465: 111377 (2022) - Mattes Mollenhauer, Stefan Klus, Christof Schütte, Péter Koltai:
Kernel Autocovariance Operators of Stationary Processes: Estimation and Convergence. J. Mach. Learn. Res. 23: 327:1-327:34 (2022) - Felix Peppert, Max von Kleist, Christof Schütte, Vikram Sunkara:
On the Sufficient Condition for Solving the Gap-Filling Problem Using Deep Convolutional Neural Networks. IEEE Trans. Neural Networks Learn. Syst. 33(11): 6194-6205 (2022) - 2021
- Andreas Bittracher, Stefan Klus, Boumediene Hamzi, Péter Koltai, Christof Schütte:
Dimensionality Reduction of Complex Metastable Systems via Kernel Embeddings of Transition Manifolds. J. Nonlinear Sci. 31(1): 3 (2021) - Niklas Wulkow, Péter Koltai, Christof Schütte:
Memory-Based Reduced Modelling and Data-Based Estimation of Opinion Spreading. J. Nonlinear Sci. 31(1): 19 (2021) - Patrick Gelß, Stefan Klus, Ingmar Schuster, Christof Schütte:
Feature space approximation for kernel-based supervised learning. Knowl. Based Syst. 221: 106935 (2021) - Margarita Kostré, Christof Schütte, Frank Noé, Mauricio J. Del Razo:
Coupling Particle-Based Reaction-Diffusion Simulations with Reservoirs Mediated by Reaction-Diffusion PDEs. Multiscale Model. Simul. 19(4): 1659-1683 (2021) - Nomenjanahary Alexia Raharinirina, Felix Peppert, Max von Kleist, Christof Schütte, Vikram Sunkara:
Inferring gene regulatory networks from single-cell RNA-seq temporal snapshot data requires higher-order moments. Patterns 2(9): 100332 (2021) - 2020
- Luzie Helfmann, Enric Ribera Borrell, Christof Schütte, Péter Koltai:
Extending Transition Path Theory: Periodically Driven and Finite-Time Dynamics. J. Nonlinear Sci. 30(6): 3321-3366 (2020) - Mattes Mollenhauer, Stefan Klus, Christof Schütte, Péter Koltai:
Kernel autocovariance operators of stationary processes: Estimation and convergence. CoRR abs/2004.00891 (2020) - Patrick Gelß, Stefan Klus, Ingmar Schuster, Christof Schütte:
Feature space approximation for kernel-based supervised learning. CoRR abs/2011.12651 (2020) - 2019
- Wei Zhang, Stefan Klus, Tim O. F. Conrad, Christof Schütte:
Learning Chemical Reaction Networks from Trajectory Data. SIAM J. Appl. Dyn. Syst. 18(4): 2000-2046 (2019) - 2018
- Péter Koltai, Hao Wu, Frank Noé, Christof Schütte:
Optimal Data-Driven Estimation of Generalized Markov State Models for Non-Equilibrium Dynamics. Comput. 6(1): 22 (2018) - Giovanni Ciccotti, Mauro Ferrario, Christof Schütte:
Molecular Dynamics vs. Stochastic Processes: Are We Heading Anywhere? Entropy 20(5): 348 (2018) - Natasa Djurdjevac Conrad, Luzie Helfmann, Johannes Zonker, Stefanie Winkelmann, Christof Schütte:
Human mobility and innovation spreading in ancient times: a stochastic agent-based simulation approach. EPJ Data Sci. 7(1): 24 (2018) - Andreas Bittracher, Péter Koltai, Stefan Klus, Ralf Banisch, Michael Dellnitz, Christof Schütte:
Transition Manifolds of Complex Metastable Systems - Theory and Data-Driven Computation of Effective Dynamics. J. Nonlinear Sci. 28(2): 471-512 (2018) - Stefan Klus, Feliks Nüske, Péter Koltai, Hao Wu, Ioannis G. Kevrekidis, Christof Schütte, Frank Noé:
Data-Driven Model Reduction and Transfer Operator Approximation. J. Nonlinear Sci. 28(3): 985-1010 (2018) - Péter Koltai, Christof Schütte:
A Multiscale Perturbation Expansion Approach for Markov State Modeling of Nonstationary Molecular Dynamics. Multiscale Model. Simul. 16(4): 1455-1485 (2018) - Christof Ferreira Torres, Julian Schütte, Radu State:
Osiris: Hunting for Integer Bugs in Ethereum Smart Contracts. ACSAC 2018: 664-676 - Stefan Klus, Andreas Bittracher, Ingmar Schuster, Christof Schütte:
A kernel-based approach to molecular conformation analysis. CoRR abs/1809.11092 (2018) - 2017
- Tim O. F. Conrad, Martin Genzel, Nada Cvetkovic, Niklas Wulkow, Alexander B. Leichtle, Jan Vybíral, Gitta Kutyniok, Christof Schütte:
Sparse Proteomics Analysis - a compressed sensing-based approach for feature selection and classification of high-dimensional proteomics mass spectrometry data. BMC Bioinform. 18(1): 160:1-160:20 (2017)
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