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ORCIDChristof Schütte
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2020 – today
- 2025
[j60]Kenrick Schulze, Felix Peppert, Christof Schütte, Vikram Sunkara
:
Chimeric U-Net - Modifying the standard U-Net towards explainability. Artif. Intell. 338: 104240 (2025)- 2024
- [j59]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
- [j58]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) - [j57]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) - [j56]Andreas Bittracher, Mattes Mollenhauer, Péter Koltai, Christof Schütte:
Optimal Reaction Coordinates: Variational Characterization and Sparse Computation. Multiscale Model. Simul. 21(2): 449-488 (2023) - [j55]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) - [c5]Mustafa Chaukair, Christof Schütte, Vikram Sunkara:
On the Activation Space of ReLU equipped Deep Neural Networks. INNS DLIA@IJCNN 2023: 624-635 - [i7]Wei Zhang, Christof Schütte:
Understanding recent deep-learning techniques for identifying collective variables of molecular dynamics. CoRR abs/2307.00365 (2023) - [i6]Thomas Gaskin, Tim Conrad, Grigorios A. Pavliotis, Christof Schütte:
Neural parameter calibration and uncertainty quantification for epidemic forecasting. CoRR abs/2312.03147 (2023) - 2022
- [j54]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) - [j53]Wei Zhang, Tiejun Li, Christof Schütte:
Solving eigenvalue PDEs of metastable diffusion processes using artificial neural networks. J. Comput. Phys. 465: 111377 (2022) - [j52]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) - [j51]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
- [j50]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) - [j49]Niklas Wulkow, Péter Koltai, Christof Schütte:
Memory-Based Reduced Modelling and Data-Based Estimation of Opinion Spreading. J. Nonlinear Sci. 31(1): 19 (2021) - [j48]Patrick Gelß, Stefan Klus, Ingmar Schuster, Christof Schütte:
Feature space approximation for kernel-based supervised learning. Knowl. Based Syst. 221: 106935 (2021) - [j47]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) - [j46]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
- [j45]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) - [i5]Mattes Mollenhauer, Stefan Klus, Christof Schütte, Péter Koltai:
Kernel autocovariance operators of stationary processes: Estimation and convergence. CoRR abs/2004.00891 (2020) - [i4]Patrick Gelß, Stefan Klus, Ingmar Schuster, Christof Schütte:
Feature space approximation for kernel-based supervised learning. CoRR abs/2011.12651 (2020)
2010 – 2019
- 2019
- [j44]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
- [j43]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) - [j42]Giovanni Ciccotti, Mauro Ferrario, Christof Schütte:
Molecular Dynamics vs. Stochastic Processes: Are We Heading Anywhere? Entropy 20(5): 348 (2018) - [j41]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) - [j40]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) - [j39]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) - [j38]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) - [i3]Stefan Klus, Andreas Bittracher, Ingmar Schuster, Christof Schütte:
A kernel-based approach to molecular conformation analysis. CoRR abs/1809.11092 (2018) - 2017
- [j37]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) - [j36]Rudolf Huttary, Leonid Goubergrits, Christof Schütte, Stefan Bernhard:
Simulation, identification and statistical variation in cardiovascular analysis (SISCA) - A software framework for multi-compartment lumped modeling. Comput. Biol. Medicine 87: 104-123 (2017) - [j35]Wei Zhang, Christof Schütte:
Reliable Approximation of Long Relaxation Timescales in Molecular Dynamics. Entropy 19(7): 367 (2017) - [j34]Carsten Hartmann, Lorenz Richter, Christof Schütte, Wei Zhang:
Variational Characterization of Free Energy: Theory and Algorithms. Entropy 19(11): 626 (2017) - [j33]Patrick Gelß, Stefan Klus, Sebastian Matera, Christof Schütte:
Nearest-neighbor interaction systems in the tensor-train format. J. Comput. Phys. 341: 140-162 (2017) - 2016
- [j32]Patrick Gelß, Sebastian Matera, Christof Schütte:
Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model. J. Comput. Phys. 314: 489-502 (2016) - [j31]Natasa Djurdjevac Conrad, Marcus Weber, Christof Schütte:
Finding Dominant Structures of Nonreversible Markov Processes. Multiscale Model. Simul. 14(4): 1319-1340 (2016) - 2015
- [j30]Kaveh Yousef, Adam Streck, Christof Schütte, Heike Siebert, Regine Hengge, Max von Kleist:
Logical-continuous modelling of post-translationally regulated bistability of curli fiber expression in Escherichia coli. BMC Syst. Biol. 9: 39 (2015) - [j29]Ivan Kryven, Susanna Röblitz, Christof Schütte:
Solution of the chemical master equation by radial basis functions approximation with interface tracking. BMC Syst. Biol. 9: 67 (2015) - 2014
- [j28]Marco Sarich, Ralf Banisch, Carsten Hartmann, Christof Schütte:
Markov State Models for Rare Events in Molecular Dynamics. Entropy 16(1): 258-286 (2014) - [j27]Carsten Hartmann, Ralf Banisch, Marco Sarich, Tomasz Badowski, Christof Schütte:
Characterization of Rare Events in Molecular Dynamics. Entropy 16(1): 350-376 (2014) - [j26]Wei Zhang, Han Wang, Carsten Hartmann, Marcus Weber, Christof Schütte:
Applications of the Cross-Entropy Method to Importance Sampling and Optimal Control of Diffusions. SIAM J. Sci. Comput. 36(6) (2014) - [i2]Ralf Banisch, Christof Schütte, Natasa Djurdjevac Conrad:
Loop-based Module Detection in Directed Networks. CoRR abs/1404.2813 (2014) - [i1]Natasa Djurdjevac Conrad, Ralf Banisch, Christof Schütte:
Modularity of Directed Networks: Cycle Decomposition Approach. CoRR abs/1407.8039 (2014) - 2012
- [j25]Natasa Djurdjevac, Marco Sarich, Christof Schütte:
Estimating the Eigenvalue Error of Markov State Models. Multiscale Model. Simul. 10(1): 61-81 (2012) - [j24]Stephan Menz, Juan C. Latorre, Christof Schütte, Wilhelm Huisinga:
Hybrid Stochastic-Deterministic Solution of the Chemical Master Equation. Multiscale Model. Simul. 10(4): 1232-1262 (2012) - [j23]Eike Meerbach, Juan C. Latorre, Christof Schütte:
Sequential Change Point Detection in Molecular Dynamics Trajectories. Multiscale Model. Simul. 10(4): 1263-1291 (2012) - [j22]Christof Schütte, Stefanie Winkelmann, Carsten Hartmann:
Optimal control of molecular dynamics using Markov state models. Math. Program. 134(1): 259-282 (2012) - [j21]Max von Kleist, Philipp Metzner, Roland Marquet, Christof Schütte:
HIV-1 Polymerase Inhibition by Nucleoside Analogs: Cellular- and Kinetic Parameters of Efficacy, Susceptibility and Resistance Selection. PLoS Comput. Biol. 8(1) (2012) - 2010
- [j20]Marco Sarich, Frank Noé, Christof Schütte:
On the Approximation Quality of Markov State Models. Multiscale Model. Simul. 8(4): 1154-1177 (2010) - [j19]Carsten Hartmann, Valentina-Mira Vulcanov, Christof Schütte:
Balanced Truncation of Linear Second-Order Systems: A Hamiltonian Approach. Multiscale Model. Simul. 8(4): 1348-1367 (2010) - [j18]Marco Sarich, Christof Schütte, Eric Vanden-Eijnden:
Optimal Fuzzy Aggregation of Networks. Multiscale Model. Simul. 8(4): 1535-1561 (2010) - [j17]Elmar Diederichs, Anatoli B. Juditsky, Vladimir G. Spokoiny, Christof Schütte:
Sparse non-Gaussian component analysis. IEEE Trans. Inf. Theory 56(6): 3033-3047 (2010) - [c4]Juan C. Latorre, Carsten Hartmann, Christof Schütte:
Free energy computation by controlled Langevin dynamics. ICCS 2010: 1597-1606
2000 – 2009
- 2009
- [j16]Illia Horenko, Christof Schütte:
On Metastable Conformational Analysis of Nonequilibrium Biomolecular Time Series. Multiscale Model. Simul. 8(2): 701-716 (2009) - 2008
- [j15]Illia Horenko, Rupert Klein, Stamen Dolaptchiev, Christof Schütte:
Automated Generation of Reduced Stochastic Weather Models I: Simultaneous Dimension and Model Reduction for Time Series Analysis. Multiscale Model. Simul. 6(4): 1125-1145 (2008) - [j14]Illia Horenko, Christof Schütte:
Likelihood-Based Estimation of Multidimensional Langevin Models and Its Application to Biomolecular Dynamics. Multiscale Model. Simul. 7(2): 731-773 (2008) - [j13]Philipp Metzner, Christof Schütte, Eric Vanden-Eijnden:
Transition Path Theory for Markov Jump Processes. Multiscale Model. Simul. 7(3): 1192-1219 (2008) - [j12]Illia Horenko, Evelyn Dittmer, Filip Lankas, John Maddocks, Philipp Metzner, Christof Schütte:
Macroscopic Dynamics of Complex Metastable Systems: Theory, Algorithms, and Application to B-DNA. SIAM J. Appl. Dyn. Syst. 7(2): 532-560 (2008) - [c3]Carsten Hartmann, Christof Schütte:
Balancing of partially-observed stochastic differential equations. CDC 2008: 4867-4872 - 2007
- [j11]Sönke Lorenz, Elmar Diederichs, Regina Telgmann, Christof Schütte:
Discrimination of dynamical system models for biological and chemical processes. J. Comput. Chem. 28(8): 1384-1399 (2007) - [j10]Alexander Fischer, Sonja Waldhausen, Illia Horenko, Eike Meerbach, Christof Schütte:
Identification of biomolecular conformations from incomplete torsion angle observations by hidden markov models. J. Comput. Chem. 28(15): 2453-2464 (2007) - [j9]Philipp Metzner, Evelyn Dittmer, Tobias Jahnke, Christof Schütte:
Generator estimation of Markov jump processes. J. Comput. Phys. 227(1): 353-375 (2007) - 2006
- [j8]Illia Horenko, Evelyn Dittmer, Alexander Fischer, Christof Schütte:
Automated Model Reduction for Complex Systems Exhibiting Metastability. Multiscale Model. Simul. 5(3): 802-827 (2006) - [c2]Illia Horenko, Johannes Schmidt-Ehrenberg, Christof Schütte:
Set-Oriented Dimension Reduction: Localizing Principal Component Analysis Via Hidden Markov Models. CompLife 2006: 74-85 - [c1]Tim O. F. Conrad, Alexander B. Leichtle, Andre Hagehülsmann, Elmar Diederichs, Sven Baumann, Joachim Thiery, Christof Schütte:
Beating the Noise: New Statistical Methods for Detecting Signals in MALDI-TOF Spectra Below Noise Level. CompLife 2006: 119-128 - 2005
- [j7]Illia Horenko, Sönke Lorenz, Christof Schütte, Wilhelm Huisinga:
Adaptive approach for nonlinear sensitivity analysis of reaction kinetics. J. Comput. Chem. 26(9): 941-948 (2005) - 2004
- [j6]Christof Schütte, Jessika Walter, Carsten Hartmann, Wilhelm Huisinga:
An Averaging Principle for Fast Degrees of Freedom Exhibiting Long-Term Correlations. Multiscale Model. Simul. 2(3): 501-526 (2004)
1990 – 1999
- 1999
- [j5]Wilhelm Huisinga, Christoph Best, Rainer Roitzsch, Christof Schütte, Frank Cordes:
From simulation data to conformational ensembles: Structure and dynamics-based methods. J. Comput. Chem. 20(16): 1760-1774 (1999) - [j4]Folkmar A. Bornemann, Christof Schütte:
Adaptive accuracy control for Car-Parrinello simulations. Numerische Mathematik 83(2): 179-186 (1999) - [j3]Christof Schütte, Folkmar A. Bornemann:
On the Singular Limit of the Quantum-Classical Molecular Dynamics Model. SIAM J. Appl. Math. 59(4): 1208-1224 (1999) - [p3]Peter Deuflhard, Michael Dellnitz, Oliver Junge, Christof Schütte:
Computation of Essential Molecular Dynamics by Subdivision Techniques. Computational Molecular Dynamics 1999: 98-115 - [p2]Christof Schütte, Folkmar A. Bornemann:
Approximation Properties and Limits of the Quantum-Classical Molecular Dynamics Model. Computational Molecular Dynamics 1999: 380-395 - [p1]Peter Nettesheim, Christof Schütte:
Numerical Integrators for Quantum-Classical Molecular Dynamics. Computational Molecular Dynamics 1999: 396-411 - 1998
- [j2]Alexander Fischer, Frank Cordes, Christof Schütte:
Hybrid Monte Carlo with adaptive temperature in mixed-canonical ensemble: Efficient conformational analysis of RNA. J. Comput. Chem. 19(15): 1689-1697 (1998) - 1993
- [j1]Christof Schütte:
A Quasiresonant Smoothing Algorithm for the Fast Analysis of Selective Vibrational Excitation. IMPACT Comput. Sci. Eng. 5(3): 176-200 (1993)
Coauthor Index
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