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Weak error expansion of a stopped numerical scheme for singular Langevin process

Published 23 Jun 2023 in math.PR | (2306.13523v3)

Abstract: We show expansion \textit{`a la Talay-Tubaro} of a stopped numerical scheme for the Langevin process in the case of a singular potential. In order to achieve this, we provide estimates on the associated semi-group of the process. The class of admissible potentials includes the Lennard-Jones interaction with confinement, which is an important potential in molecular dynamics and served as the primary motivation for this study.

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References (32)
  1. Uniform in time convergence of numerical schemes for stochastic differential equations via Strong Exponential stability: Euler methods, Split-Step and Tamed Schemes. arXiv e-prints, page arXiv:2303.15463, March 2023.
  2. Analysis and geometry of Markov diffusion operators, volume 348 of Grundlehren der Mathematischen Wissenschaften [Fundamental Principles of Mathematical Sciences]. Springer, Cham, 2014.
  3. Gamma calculus beyond Villani and explicit convergence estimates for Langevin dynamics with singular potentials. Arch. Ration. Mech. Anal., 241(2):765–804, 2021.
  4. Weighted L2superscript𝐿2L^{2}italic_L start_POSTSUPERSCRIPT 2 end_POSTSUPERSCRIPT-contractivity of Langevin dynamics with singular potentials. Nonlinearity, 35(2):998–1035, 2022.
  5. Theoretical and numerical comparison of some sampling methods for molecular dynamics. ESAIM: M2AN, 41(2):351–389, 2007.
  6. M. Chak. Regularity preservation in Kolmogorov equations for non-Lipschitz coefficients under Lyapunov conditions. arXiv e-prints, page arXiv:2209.05436, September 2022.
  7. F. Conrad and M. Grothaus. Construction, ergodicity and rate of convergence of N𝑁Nitalic_N-particle Langevin dynamics with singular potentials. J. Evol. Equ., 10(3):623–662, 2010.
  8. A. Debussche and E. Faou. Weak backward error analysis for SDEs. SIAM J. Numer. Anal., 50(3):1735–1752, 2012.
  9. Geometric ergodicity of the bouncy particle sampler. Ann. Appl. Probab., 30(5):2069–2098, 2020.
  10. M. Grothaus and P. Stilgenbauer. A hypocoercivity related ergodicity method for singularly distorted non-symmetric diffusions. Integral Equations Operator Theory, 83(3):331–379, 2015.
  11. Loss of regularity for Kolmogorov equations. Ann. Probab., 43(2):468–527, 2015.
  12. Ergodicity and Lyapunov functions for Langevin dynamics with singular potentials. Comm. Pure Appl. Math., 72(10):2231–2255, 2019.
  13. M. Hutzenthaler and A. Jentzen. On a perturbation theory and on strong convergence rates for stochastic ordinary and partial differential equations with nonglobally monotone coefficients. Ann. Probab., 48(1):53–93, 2020.
  14. Strong and weak divergence in finite time of Euler’s method for stochastic differential equations with non-globally Lipschitz continuous coefficients. Proc. R. Soc. Lond. Ser. A Math. Phys. Eng. Sci., 467(2130):1563–1576, 2011.
  15. Strong convergence of an explicit numerical method for SDEs with nonglobally Lipschitz continuous coefficients. Ann. Appl. Probab., 22(4):1611–1641, 2012.
  16. Exponential integrability properties of numerical approximation processes for nonlinear stochastic differential equations. Math. Comput., 87(311):1353–1413, 2018.
  17. L. Journel and P. Monmarché. Convergence of the kinetic annealing for general potentials. Electronic Journal of Probability, 27(none):1 – 37, 2022.
  18. M. Kopec. Weak backward error analysis for Langevin process. BIT, 55(4):1057–1103, 2015.
  19. M. Kopec. Weak backward error analysis for overdamped Langevin processes. IMA J. Numer. Anal., 35(2):583–614, 2015.
  20. The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics. IMA J. Numer. Anal., 36(1):13–79, 2016.
  21. T. Lelièvre and G. Stoltz. Partial differential equations and stochastic methods in molecular dynamics. Acta Numerica, 25:681–880, 2016.
  22. Y. Lu and J.-C. Mattingly. Geometric ergodicity of Langevin dynamics with Coulomb interactions. Nonlinearity, 33(2):675–699, 2020.
  23. Ergodicity for SDEs and approximations: locally Lipschitz vector fields and degenerate noise. Stochastic Process. Appl., 101(2):185–232, 2002.
  24. P. Monmarché. Generalized ΓΓ\Gammaroman_Γ calculus and application to interacting particles on a graph. Potential Analysis, 50:439–466, 2019.
  25. Pierre Monmarché. High-dimensional MCMC with a standard splitting scheme for the underdamped Langevin diffusion. Electron. J. Stat., 15(2):4117–4166, 2021.
  26. G. Stoltz and Z. Trstanova. Langevin dynamics with general kinetic energies. Multiscale Model. Simul., 16(2):777–806, 2018.
  27. D. Talay. Stochastic Hamiltonian systems: exponential convergence to the invariant measure, and discretization by the implicit Euler scheme. Markov Process. Related Fields, 8(2):163–198, 2002. Inhomogeneous random systems (Cergy-Pontoise, 2001).
  28. D. Talay and L. Tubaro. Expansion of the global error for numerical schemes solving stochastic differential equations. Stochastic Anal. Appl., 8(4):483–509 (1991), 1990.
  29. Mark E Tuckerman. Statistical mechanics: theory and molecular simulation. Oxford university press, 2023.
  30. C. Villani. Hypocoercivity. Mem. Amer. Math. Soc., 202(950):iv+141, 2009.
  31. K. Yosida. Functional analysis. Berlin: Springer-Verlag, repr. of the 6th ed. edition, 1994.
  32. C. Zhang. Hypocoercivity and global hypoellipticity for the kinetic Fokker-Planck equation in Hksuperscript𝐻𝑘H^{k}italic_H start_POSTSUPERSCRIPT italic_k end_POSTSUPERSCRIPT spaces. arXiv e-prints, page arXiv:2012.06253, December 2020.
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