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We consider the inverse problem of reconstructing the posterior measure over the trajec- tories of a diffusion process from discrete time observations and continuous time constraints. We cast the problem in a Bayesian framework and derive…

Machine Learning · Statistics 2016-12-21 Botond Cseke , David Schnoerr , Manfred Opper , Guido Sanguinetti

Understanding the fluctuations by which phenomenological evolution equations with thermodynamic structure can be enhanced is the key to a general framework of nonequilibrium statistical mechanics. These fluctuations provide an idealized…

Statistical Mechanics · Physics 2021-02-03 Hans Christian Öttinger , Mark A. Peletier , Alberto Montefusco

Solving the Stokes equation by an optimal domain decomposition method derived algebraically involves the use of non standard interface conditions whose discretisation is not trivial. For this reason the use of approximation methods such as…

Numerical Analysis · Mathematics 2019-10-02 Gabriel R. Barrenechea , Michał Bosy , Victorita Dolean , Frédéric Nataf , Pierre-Henri Tournier

Molecular dynamics simulations have the potential to provide atomic-level detail and insight to important questions in chemical physics that cannot be observed in typical experiments. However, simply generating a long trajectory is…

Chemical Physics · Physics 2015-06-22 Christian R. Schwantes , Robert T. McGibbon , Vijay S. Pande

One of the pivotal tasks in scientific machine learning is to represent underlying dynamical systems from time series data. Many methods for such dynamics learning explicitly require the derivatives of state data, which are not directly…

Machine Learning · Computer Science 2024-04-17 Dongwei Ye , Mengwu Guo

The prediction of thermo-mechanical behaviour of heterogeneous materials such as heat and moisture transport is strongly influenced by the uncertainty in parameters. Such materials occur e.g. in historic buildings, and the durability…

Computational Engineering, Finance, and Science · Computer Science 2013-03-19 A. Kucerova , J. Sykora , B. Rosic , H. G. Matthies

We study the numerical approximation of a coupled hyperbolic-parabolic system by a family of discontinuous Galerkin space-time finite element methods. The model is rewritten as a first-order evolutionary problem that is treated by the…

Numerical Analysis · Mathematics 2024-06-21 Markus Bause , Sebastian Franz

For boundary-driven non-equilibrium Markov models of non-interacting particles in one dimension, either in continuous space with the Fokker-Planck dynamics involving an arbitrary force $F(x)$ and an arbitrary diffusion coefficient $D(x)$,…

Statistical Mechanics · Physics 2023-07-06 Cecile Monthus

The convergence and optimality theory of adaptive Galerkin methods is almost exclusively based on the D\"orfler marking. This entails a fixed parameter and leads to a contraction constant bounded below away from zero. For spectral Galerkin…

Numerical Analysis · Mathematics 2015-11-03 Claudio Canuto , Ricardo H. Nochetto , Rob Stevenson , Marco Verani

Formulas for Galerkin-Koornwinder (GK) approximations of delay differential equations are summarized. The functional analysis ingredients (semigroups, operators, etc.) are intentionally omitted to focus instead on the formulas required to…

Dynamical Systems · Mathematics 2023-04-20 Mickaël D. Chekroun , Honghu Liu

We propose a numerical technique for parameter inference in Markov models of biological processes. Based on time-series data of a process we estimate the kinetic rate constants by maximizing the likelihood of the data. The computation of…

Quantitative Methods · Quantitative Biology 2011-02-15 Aleksandr Andreychenko , Linar Mikeev , David Spieler , Verena Wolf

High-dimensional transport equations frequently occur in science and engineering. Computing their numerical solution, however, is challenging due to its high dimensionality. In this work we develop an algorithm to efficiently solve the…

Numerical Analysis · Mathematics 2023-08-02 Andreas Zeiser

This work concerns the enrichment of Discontinuous Galerkin (DG) bases, so that the resulting scheme provides a much better approximation of steady solutions to hyperbolic systems of balance laws. The basis enrichment leverages a prior - an…

Numerical Analysis · Mathematics 2026-02-09 Emmanuel Franck , Victor Michel-Dansac , Laurent Navoret

In this article a simplified weak Galerkin finite element method is developed for the Dirichlet boundary value problem of convection-diffusion-reaction equations. The simplified weak Galerkin method utilizes only the degrees of freedom on…

Numerical Analysis · Mathematics 2018-08-29 Yujie Liu , Junping Wang

In many biological systems, chemical reactions or changes in a physical state are assumed to occur instantaneously. For describing the dynamics of those systems, Markov models that require exponentially distributed inter-event times have…

Populations and Evolution · Quantitative Biology 2020-07-06 Wasiur R. KhudaBukhsh , Hye-Won Kang , Eben Kenah , Grzegorz A. Rempala

The numerical solution of time-dependent radiative transfer problems is challenging, both, due to the high dimension as well as the anisotropic structure of the underlying integro-partial differential equation. In this paper we propose a…

Numerical Analysis · Mathematics 2015-12-04 Herbert Egger , Matthias Schlottbom

We propose an exact technique to calculate lower bounds of spectral gaps of discrete time reversible Markov chains on finite state sets. Spectral gaps are a common tool for evaluating convergence rates of Markov chains. As an illustration,…

Statistical Mechanics · Physics 2016-08-31 N. Destainville

Applications of stochastic models often involve the evaluation of steady-state performance, which requires solving a set of balance equations. In most cases of interest, the number of equations is infinite or even uncountable. As a result,…

Optimization and Control · Mathematics 2022-04-08 Shukai Li , Sanjay Mehrotra

This paper is focussed on the numerical resolution of diffusion advection and reaction equations (DAREs) with special features (such as fractures, walls, corners, obstacles or point loads) which globally, as well as locally, have important…

Numerical Analysis · Mathematics 2019-05-29 Assionvi H. Kouevi , Gabriel J. Lord

The formal verification and controller synthesis for Markov decision processes that evolve over uncountable state spaces are computationally hard and thus generally rely on the use of approximations. In this work, we consider the…

Systems and Control · Computer Science 2018-11-28 Sofie Haesaert , Sadegh Soudjani , Alessandro Abate