Preprints
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On finding optimal collective variables for complex systems by minimizing the deviation between effective and full dynamics (with C. Schütte), 2024.
arxiv
Refereed journal articles
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Analyzing multimodal probability measures with autoencoders (with T. Lelièvre and T. Pigeon and G. Stoltz), J. Phys. Chem. B, Vol.128, No.11, pp.2607-2631, 2024.
doi arxiv
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EPR-Net: Constructing non-equilibrium potential landscape via a variational force projection formulation (with Y. Zhao and T. Li), Natl. Sci. Rev. Vol.11, Issue 7, 2024.
doi
arxiv code
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Understanding recent deep-learning techniques for identifying collective variables of molecular dynamics (with C. Schütte),
Proc. Appl. Math. Mech., 23, e202300189, 2023. doi
(extended version on arxiv)
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Solving eigenvalue PDEs of metastable diffusion processes using artificial neural networks (with T. Li and C. Schütte), J. Comput. Phys., 465, 111377, 2022. doi
arxiv
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Multiple projection MCMC algorithms on submanifolds (with T. Lelièvre and G. Stoltz), IMA J. Numer. Anal. 43(2), pp. 737-788, 2023.
doi
arxiv
code
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Non-reversible sampling schemes on submanifolds (with U. Sharma), Siam J. Numer. Anal., 59(6), pp. 2989-3031, 2021.
doi
arxiv
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Some new results on relative entropy production, time reversal, and optimal control of time-inhomogeneous diffusion processes, J. Math. Phys. 62(4), 043302, 2021.
doi
arxiv
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Ergodic SDEs on submanifolds and related numerical sampling schemes, ESAIM:M2AN, 54(2), pp. 391-430, 2020.
doi
arxiv
code
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Learning chemical reaction networks from trajectory data (with S. Klus, T. Conrad, C. Schütte), Siam J. Appl. Dyn. Syst., 18(4), pp. 2000-2046, 2019.
doi
arxiv
code
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Pathwise estimates for effective dynamics: the case of nonlinear vectorial reaction coordinates
(with T. Lelièvre),
Multiscale Model. Simul., 17(3), pp. 1019-1051, 2019.
doi
arxiv
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Jarzynski equality, fluctuation theorem, and variance reduction: Mathematical
analysis and numerical algorithms (with C. Hartmann and C. Schütte),
J. Stat. Phys., 175(6), pp. 1214-1261, 2019.
doi
arxiv
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Statistical analysis of the first passage path ensemble of jump processes
(with M. von Kleist and C. Schütte), J. Stat. Phys., 170(4), pp. 809-843, 2018.
doi
arxiv
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Optimal control of Markov jump processes : asymptotic analysis, algorithms, and application to modelling of chemical reaction systems
(with C. Hartmann and M. von Kleist), Commun. Math. Sci., Vol.16, No.2, pp. 293-331, 2018.
doi
arxiv
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Importance sampling in path space for diffusion processes with slow-fast variables
(with C. Hartmann, C. Schütte and M. Weber),
Probab. Theory Related Fields, 170(1), pp.177-228, 2018.
doi
arxiv
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Variational characterization of free energy: Theory and algorithms (with
C. Hartmann, L. Richter, C. Schütte), Entropy 2017, 19(11), 626. doi
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Reliable approximation of long relaxation timescales in molecular dynamics
(with C. Schütte), Entropy 2017, 19(7), 367. doi
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Effective dynamics along given reaction coordinates, and reaction rate theory
(with C. Hartmann and C. Schütte),
Faraday Discuss., 2016, Vol.195, pp.365-394.
doi
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Model reduction algorithms for optimal control and importance sampling of diffusions
(with C. Hartmann and C. Schütte),
Nonlinearity Vol.29, No.8, pp.2298-2326, 2016.
doi
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Applications of the cross-entropy method to importance sampling and optimal control of diffusions
(with H. Wang, C. Hartmann, M. Weber and C. Schütte),
Siam. J. Sci. Comput. Vol.36, No.6, pp. A2654-A2672, 2014.
doi
pdf
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Optimal control of multiscale systems using reduced-order models
(with C. Hartmann, J.C. Latorre and G.A. Pavliotis),
J. Comput. Dyn. Vol.1, No.2, pp.279-306, 2014.
doi
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Nucleation Rate Calculation for the Phase
Transition of Diblock Copolymers under Stochastic Cahn-Hilliard Dynamics
(with T. Li and P. Zhang),
Multiscale Model. Simul., 11(1), pp.385-409, 2013.
doi
pdf
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Numerical study for the nucleation of one-dimensional stochastic Cahn-Hilliard dynamics
(with T. Li and P. Zhang),
Commun. Math. Sci, 10(4), pp.1105-1132, 2012.
doi
pdf