Christof Schütte

82 papers A* 1Misc 1Journal 73Unranked 4

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	An efficient first-order conditional gradient algorithm in data-driven sparse identification of nonlinear dynamics to solve sparse recovery problems under noise. J. Comput. Appl. Math. Alejandro Carderera, Sebastian Pokutta, Christof Schütte, Martin Weiser
2025	J	`jnl`	Approximating Particle-Based Clustering Dynamics by Stochastic PDEs. SIAM J. Appl. Dyn. Syst. Nathalie Wehlitz, Mohsen Sadeghi, Alberto Montefusco, Christof Schütte, Grigorios A. Pavliotis, Stefanie Winkelmann
2025	J	`jnl`	Assessing local deformation and computing scalar curvature with nonlinear conformal regularization of decoders. CoRR Benjamin Couéraud, Vikram Sunkara, Christof Schütte
2025	J	`jnl`	Chimeric U-Net - Modifying the standard U-Net towards explainability. Artif. Intell. Kenrick Schulze, Felix Peppert, Christof Schütte, Vikram Sunkara
2025	J	`jnl`	On Finding Optimal Collective Variables for Complex Systems by Minimizing the Deviation between Effective and Full Dynamics. Multiscale Model. Simul. Wei Zhang, Christof Schütte
2025	A*	`conf`	Reinforcement Learning with Random Time Horizons. ICML Enric Ribera Borrell, Lorenz Richter, Christof Schütte
2025	J	`jnl`	Reinforcement Learning with Random Time Horizons. CoRR Enric Ribera Borrell, Lorenz Richter, Christof Schütte
2025	J	`jnl`	Riemannian Denoising Diffusion Probabilistic Models. CoRR Zichen Liu, Wei Zhang, Christof Schütte, Tiejun Li
2024	J	`jnl`	Improving Control Based Importance Sampling Strategies for Metastable Diffusions via Adapted Metadynamics. SIAM J. Sci. Comput. Enric Ribera Borrell, Jannes Quer, Lorenz Richter, Christof Schütte
2023	J	`jnl`	A Route to the Hydrodynamic Limit of a Reaction-Diffusion Master Equation Using Gradient Structures. SIAM J. Appl. Math. Alberto Montefusco, Christof Schütte, Stefanie Winkelmann
2023	J	`jnl`	Neural parameter calibration and uncertainty quantification for epidemic forecasting. CoRR Thomas Gaskin, Tim Conrad, Grigorios A. Pavliotis, Christof Schütte
2023	J	`jnl`	Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists. J. Cheminformatics Christopher Secker, Konstantin Fackeldey, Marcus Weber, Sourav Ray, Christoph Gorgulla, Christof Schütte
2023	—	`conf`	On the Activation Space of ReLU equipped Deep Neural Networks. INNS DLIA@IJCNN Mustafa Chaukair, Christof Schütte, Vikram Sunkara
2023	J	`jnl`	Optimal Reaction Coordinates: Variational Characterization and Sparse Computation. Multiscale Model. Simul. Andreas Bittracher, Mattes Mollenhauer, Péter Koltai, Christof Schütte
2023	J	`jnl`	Overcoming the timescale barrier in molecular dynamics: Transfer operators, variational principles and machine learning. Acta Numer. Christof Schütte, Stefan Klus, Carsten Hartmann
2023	J	`jnl`	Understanding recent deep-learning techniques for identifying collective variables of molecular dynamics. CoRR Wei Zhang, Christof Schütte
2022	J	`jnl`	Kernel Autocovariance Operators of Stationary Processes: Estimation and Convergence. J. Mach. Learn. Res. Mattes Mollenhauer, Stefan Klus, Christof Schütte, Péter Koltai
2022	J	`jnl`	On the Sufficient Condition for Solving the Gap-Filling Problem Using Deep Convolutional Neural Networks. IEEE Trans. Neural Networks Learn. Syst. Felix Peppert, Max von Kleist, Christof Schütte, Vikram Sunkara
2022	J	`jnl`	Solving eigenvalue PDEs of metastable diffusion processes using artificial neural networks. J. Comput. Phys. Wei Zhang, Tiejun Li, Christof Schütte
2022	J	`jnl`	Understanding the romanization spreading on historical interregional networks in Northern Tunisia. Appl. Netw. Sci. Margarita Kostré, Vikram Sunkara, Christof Schütte, Natasa Djurdjevac Conrad
2021	J	`jnl`	Coupling Particle-Based Reaction-Diffusion Simulations with Reservoirs Mediated by Reaction-Diffusion PDEs. Multiscale Model. Simul. Margarita Kostré, Christof Schütte, Frank Noé, Mauricio J. Del Razo
2021	J	`jnl`	Dimensionality Reduction of Complex Metastable Systems via Kernel Embeddings of Transition Manifolds. J. Nonlinear Sci. Andreas Bittracher, Stefan Klus, Boumediene Hamzi, Péter Koltai, Christof Schütte
2021	J	`jnl`	Feature space approximation for kernel-based supervised learning. Knowl. Based Syst. Patrick Gelß, Stefan Klus, Ingmar Schuster, Christof Schütte
2021	J	`jnl`	Inferring gene regulatory networks from single-cell RNA-seq temporal snapshot data requires higher-order moments. Patterns Nomenjanahary Alexia Raharinirina, Felix Peppert, Max von Kleist, Christof Schütte, Vikram Sunkara
2021	J	`jnl`	Memory-Based Reduced Modelling and Data-Based Estimation of Opinion Spreading. J. Nonlinear Sci. Niklas Wulkow, Péter Koltai, Christof Schütte
2020	J	`jnl`	Extending Transition Path Theory: Periodically Driven and Finite-Time Dynamics. J. Nonlinear Sci. Luzie Helfmann, Enric Ribera Borrell, Christof Schütte, Péter Koltai
2020	J	`jnl`	Feature space approximation for kernel-based supervised learning. CoRR Patrick Gelß, Stefan Klus, Ingmar Schuster, Christof Schütte
2020	J	`jnl`	Kernel autocovariance operators of stationary processes: Estimation and convergence. CoRR Mattes Mollenhauer, Stefan Klus, Christof Schütte, Péter Koltai
2019	J	`jnl`	Learning Chemical Reaction Networks from Trajectory Data. SIAM J. Appl. Dyn. Syst. Wei Zhang, Stefan Klus, Tim O. F. Conrad, Christof Schütte
2018	J	`jnl`	A Multiscale Perturbation Expansion Approach for Markov State Modeling of Nonstationary Molecular Dynamics. Multiscale Model. Simul. Péter Koltai, Christof Schütte
2018	J	`jnl`	A kernel-based approach to molecular conformation analysis. CoRR Stefan Klus, Andreas Bittracher, Ingmar Schuster, Christof Schütte
2018	J	`jnl`	Data-Driven Model Reduction and Transfer Operator Approximation. J. Nonlinear Sci. Stefan Klus, Feliks Nüske, Péter Koltai, Hao Wu, Ioannis G. Kevrekidis, Christof Schütte, Frank Noé
2018	J	`jnl`	Human mobility and innovation spreading in ancient times: a stochastic agent-based simulation approach. EPJ Data Sci. Natasa Djurdjevac Conrad, Luzie Helfmann, Johannes Zonker, Stefanie Winkelmann, Christof Schütte
2018	J	`jnl`	Molecular Dynamics vs. Stochastic Processes: Are We Heading Anywhere? Entropy Giovanni Ciccotti, Mauro Ferrario, Christof Schütte
2018	J	`jnl`	Optimal Data-Driven Estimation of Generalized Markov State Models for Non-Equilibrium Dynamics. Comput. Péter Koltai, Hao Wu, Frank Noé, Christof Schütte
2018	J	`jnl`	Transition Manifolds of Complex Metastable Systems - Theory and Data-Driven Computation of Effective Dynamics. J. Nonlinear Sci. Andreas Bittracher, Péter Koltai, Stefan Klus, Ralf Banisch, Michael Dellnitz, Christof Schütte
2017	J	`jnl`	Nearest-neighbor interaction systems in the tensor-train format. J. Comput. Phys. Patrick Gelß, Stefan Klus, Sebastian Matera, Christof Schütte
2017	J	`jnl`	Reliable Approximation of Long Relaxation Timescales in Molecular Dynamics. Entropy Wei Zhang, Christof Schütte
2017	J	`jnl`	Simulation, identification and statistical variation in cardiovascular analysis (SISCA) - A software framework for multi-compartment lumped modeling. Comput. Biol. Medicine Rudolf Huttary, Leonid Goubergrits, Christof Schütte, Stefan Bernhard
2017	J	`jnl`	Sparse Proteomics Analysis - a compressed sensing-based approach for feature selection and classification of high-dimensional proteomics mass spectrometry data. BMC Bioinform. Tim O. F. Conrad, Martin Genzel, Nada Cvetkovic, Niklas Wulkow, Alexander B. Leichtle, Jan Vybíral, Gitta Kutyniok, Christof Schütte
2017	J	`jnl`	Variational Characterization of Free Energy: Theory and Algorithms. Entropy Carsten Hartmann, Lorenz Richter, Christof Schütte, Wei Zhang
2016	J	`jnl`	Finding Dominant Structures of Nonreversible Markov Processes. Multiscale Model. Simul. Natasa Djurdjevac Conrad, Marcus Weber, Christof Schütte
2016	J	`jnl`	Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model. J. Comput. Phys. Patrick Gelß, Sebastian Matera, Christof Schütte
2015	J	`jnl`	Logical-continuous modelling of post-translationally regulated bistability of curli fiber expression in Escherichia coli. BMC Syst. Biol. Kaveh Yousef, Adam Streck, Christof Schütte, Heike Siebert, Regine Hengge, Max von Kleist
2015	J	`jnl`	Solution of the chemical master equation by radial basis functions approximation with interface tracking. BMC Syst. Biol. Ivan Kryven, Susanna Röblitz, Christof Schütte
2014	J	`jnl`	Applications of the Cross-Entropy Method to Importance Sampling and Optimal Control of Diffusions. SIAM J. Sci. Comput. Wei Zhang, Han Wang, Carsten Hartmann, Marcus Weber, Christof Schütte
2014	J	`jnl`	Characterization of Rare Events in Molecular Dynamics. Entropy Carsten Hartmann, Ralf Banisch, Marco Sarich, Tomasz Badowski, Christof Schütte
2014	J	`jnl`	Loop-based Module Detection in Directed Networks. CoRR Ralf Banisch, Christof Schütte, Natasa Djurdjevac Conrad
2014	J	`jnl`	Markov State Models for Rare Events in Molecular Dynamics. Entropy Marco Sarich, Ralf Banisch, Carsten Hartmann, Christof Schütte
2014	J	`jnl`	Modularity of Directed Networks: Cycle Decomposition Approach. CoRR Natasa Djurdjevac Conrad, Ralf Banisch, Christof Schütte
2012	J	`jnl`	Estimating the Eigenvalue Error of Markov State Models. Multiscale Model. Simul. Natasa Djurdjevac, Marco Sarich, Christof Schütte
2012	J	`jnl`	HIV-1 Polymerase Inhibition by Nucleoside Analogs: Cellular- and Kinetic Parameters of Efficacy, Susceptibility and Resistance Selection. PLoS Comput. Biol. Max von Kleist, Philipp Metzner, Roland Marquet, Christof Schütte
2012	J	`jnl`	Hybrid Stochastic-Deterministic Solution of the Chemical Master Equation. Multiscale Model. Simul. Stephan Menz, Juan C. Latorre, Christof Schütte, Wilhelm Huisinga
2012	J	`jnl`	Optimal control of molecular dynamics using Markov state models. Math. Program. Christof Schütte, Stefanie Winkelmann, Carsten Hartmann
2012	J	`jnl`	Sequential Change Point Detection in Molecular Dynamics Trajectories. Multiscale Model. Simul. Eike Meerbach, Juan C. Latorre, Christof Schütte
2010	J	`jnl`	Balanced Truncation of Linear Second-Order Systems: A Hamiltonian Approach. Multiscale Model. Simul. Carsten Hartmann, Valentina-Mira Vulcanov, Christof Schütte
2010	Misc	`conf`	Free energy computation by controlled Langevin dynamics. ICCS Juan C. Latorre, Carsten Hartmann, Christof Schütte
2010	J	`jnl`	On the Approximation Quality of Markov State Models. Multiscale Model. Simul. Marco Sarich, Frank Noé, Christof Schütte
2010	J	`jnl`	Optimal Fuzzy Aggregation of Networks. Multiscale Model. Simul. Marco Sarich, Christof Schütte, Eric Vanden-Eijnden
2010	J	`jnl`	Sparse non-Gaussian component analysis. IEEE Trans. Inf. Theory Elmar Diederichs, Anatoli B. Juditsky, Vladimir G. Spokoiny, Christof Schütte
2009	J	`jnl`	On Metastable Conformational Analysis of Nonequilibrium Biomolecular Time Series. Multiscale Model. Simul. Illia Horenko, Christof Schütte
2008	J	`jnl`	Automated Generation of Reduced Stochastic Weather Models I: Simultaneous Dimension and Model Reduction for Time Series Analysis. Multiscale Model. Simul. Illia Horenko, Rupert Klein, Stamen Dolaptchiev, Christof Schütte
2008	—	`conf`	Balancing of partially-observed stochastic differential equations. CDC Carsten Hartmann, Christof Schütte
2008	J	`jnl`	Likelihood-Based Estimation of Multidimensional Langevin Models and Its Application to Biomolecular Dynamics. Multiscale Model. Simul. Illia Horenko, Christof Schütte
2008	J	`jnl`	Macroscopic Dynamics of Complex Metastable Systems: Theory, Algorithms, and Application to B-DNA. SIAM J. Appl. Dyn. Syst. Illia Horenko, Evelyn Dittmer, Filip Lankas, John Maddocks, Philipp Metzner, Christof Schütte
2008	J	`jnl`	Transition Path Theory for Markov Jump Processes. Multiscale Model. Simul. Philipp Metzner, Christof Schütte, Eric Vanden-Eijnden
2007	J	`jnl`	Discrimination of dynamical system models for biological and chemical processes. J. Comput. Chem. Sönke Lorenz, Elmar Diederichs, Regina Telgmann, Christof Schütte
2007	J	`jnl`	Generator estimation of Markov jump processes. J. Comput. Phys. Philipp Metzner, Evelyn Dittmer, Tobias Jahnke, Christof Schütte
2007	J	`jnl`	Identification of biomolecular conformations from incomplete torsion angle observations by hidden markov models. J. Comput. Chem. Alexander Fischer, Sonja Waldhausen, Illia Horenko, Eike Meerbach, Christof Schütte
2006	J	`jnl`	Automated Model Reduction for Complex Systems Exhibiting Metastability. Multiscale Model. Simul. Illia Horenko, Evelyn Dittmer, Alexander Fischer, Christof Schütte
2006	—	`conf`	Beating the Noise: New Statistical Methods for Detecting Signals in MALDI-TOF Spectra Below Noise Level. CompLife Tim O. F. Conrad, Alexander B. Leichtle, Andre Hagehülsmann, Elmar Diederichs, Sven Baumann, Joachim Thiery, Christof Schütte
2006	—	`conf`	Set-Oriented Dimension Reduction: Localizing Principal Component Analysis Via Hidden Markov Models. CompLife Illia Horenko, Johannes Schmidt-Ehrenberg, Christof Schütte
2005	J	`jnl`	Adaptive approach for nonlinear sensitivity analysis of reaction kinetics. J. Comput. Chem. Illia Horenko, Sönke Lorenz, Christof Schütte, Wilhelm Huisinga
2004	J	`jnl`	An Averaging Principle for Fast Degrees of Freedom Exhibiting Long-Term Correlations. Multiscale Model. Simul. Christof Schütte, Jessika Walter, Carsten Hartmann, Wilhelm Huisinga
1999	J	`jnl`	Adaptive accuracy control for Car-Parrinello simulations. Numerische Mathematik Folkmar A. Bornemann, Christof Schütte
1999	—	`ch.`	Approximation Properties and Limits of the Quantum-Classical Molecular Dynamics Model. Computational Molecular Dynamics Christof Schütte, Folkmar A. Bornemann
1999	—	`ch.`	Computation of Essential Molecular Dynamics by Subdivision Techniques. Computational Molecular Dynamics Peter Deuflhard, Michael Dellnitz, Oliver Junge, Christof Schütte
1999	J	`jnl`	From simulation data to conformational ensembles: Structure and dynamics-based methods. J. Comput. Chem. Wilhelm Huisinga, Christoph Best, Rainer Roitzsch, Christof Schütte, Frank Cordes
1999	—	`ch.`	Numerical Integrators for Quantum-Classical Molecular Dynamics. Computational Molecular Dynamics Peter Nettesheim, Christof Schütte
1999	J	`jnl`	On the Singular Limit of the Quantum-Classical Molecular Dynamics Model. SIAM J. Appl. Math. Christof Schütte, Folkmar A. Bornemann
1998	J	`jnl`	Hybrid Monte Carlo with adaptive temperature in mixed-canonical ensemble: Efficient conformational analysis of RNA. J. Comput. Chem. Alexander Fischer, Frank Cordes, Christof Schütte
1993	J	`jnl`	A Quasiresonant Smoothing Algorithm for the Fast Analysis of Selective Vibrational Excitation. IMPACT Comput. Sci. Eng. Christof Schütte