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We present the construction of an exponentially accurate time-dependent Born-Oppenheimer approximation for molecular quantum mechanics. We study molecular systems whose electron masses are held fixed and whose nuclear masses are…

Mathematical Physics · Physics 2009-10-31 George A. Hagedorn , Alain Joye

The time-evolution operator for an explicitly time-dependent Hamiltonian is expressed as the product of a sequence of unitary operators. These are obtained by successive time-dependent unitary transformations of the Hilbert space followed…

Quantum Physics · Physics 2009-10-30 Ali Mostafazadeh

The non-parametric estimation of covariance lies at the heart of functional data analysis, whether for curve or surface-valued data. The case of a two-dimensional domain poses both statistical and computational challenges, which are…

Statistics Theory · Mathematics 2022-01-19 Tomas Masak , Soham Sarkar , Victor M. Panaretos

We introduce and analyze a post-processing for a family of variational space-time approximations to wave problems. The discretization in space and time is based on continuous finite element methods. The post-processing lifts the fully…

Numerical Analysis · Mathematics 2018-03-09 Markus Bause , Uwe Köcher , Florin A. Radu , Friedhelm Schieweck

Error estimates for the numerical solution of the master equation are presented. Estimates are based on adjoint methods. We find that a good estimate can often be computed without spending computational effort on a dual problem. Estimates…

Numerical Analysis · Mathematics 2016-10-12 Katharina Kormann , Shev MacNamara

The aim of this paper is to study the recovery of a spatially dependent potential in a (sub)diffusion equation from overposed final time data. We construct a monotone operator one of whose fixed points is the unknown potential. The…

Numerical Analysis · Mathematics 2022-01-06 Zhengqi Zhang , Zhidong Zhang , Zhi Zhou

Koopman operator theory is a key tool in data assimilation of complex dynamical systems, with the potential to be applied to multimodal data. We formulate the problem of learning Koopman eigenfunctions from observations at arbitrary,…

Systems and Control · Electrical Eng. & Systems 2026-04-14 Younghwan Cho , Richard Sowers

The power corrections in the Operator Product Expansion (OPE) of QCD correlators can be viewed mathematically as an illustration of the transseries concept, which allows to recover a function from its asymptotic divergent expansion.…

High Energy Physics - Phenomenology · Physics 2020-09-29 Irinel Caprini

In this paper, we consider the composition of two independent processes : one process corresponds to position and the other one to time. Such processes will be called iterated processes. We first propose an algorithm based on the Euler…

Probability · Mathematics 2017-05-03 Michèle Thieullen , Alexis Vigot

A class of linear parabolic equations is considered. We derive a framework for the a posteriori error analysis of time discretisations by Richardson extrapolation of arbitrary order combined with finite element discretisations in space. We…

Numerical Analysis · Mathematics 2024-11-22 Torsten Linß , Goran Radojev

This paper develops an asymptotic expansion technique in momentum space for stochastic filtering. It is shown that Fourier transformation combined with a polynomial-function approximation of the nonlinear terms gives a closed recursive…

Computational Finance · Quantitative Finance 2013-03-26 Masaaki Fujii

In this paper, we develop {finite-time horizon} causal filters using the nonanticipative rate distortion theory. We apply the {developed} theory to {design optimal filters for} time-varying multidimensional Gauss-Markov processes, subject…

Information Theory · Computer Science 2017-02-13 Photios A. Stavrou , Themistoklis Charalambous , Charalambos D. Charalambous , Sergey Loyka

The development of finite/fixed-time stable optimization algorithms typically involves study of specific problem instances. The lack of a unified framework hinders understanding of more sophisticated algorithms, e.g., primal-dual gradient…

Optimization and Control · Mathematics 2024-09-19 Ibrahim K. Ozaslan , Mihailo R. Jovanović

The Wei-Norman technique allows to express the solution of a system of linear non-autonomous differential equations in terms of product of exponentials. In particular it enables to find a time-ordered product of exponentials by solving a…

Classical Analysis and ODEs · Mathematics 2013-12-19 Szymon Charzyński , Marek Kuś

Stochastic interpolants offer a robust framework for continuously transforming samples between arbitrary data distributions, holding significant promise for generative modeling. Despite their potential, rigorous finite-time convergence…

Machine Learning · Computer Science 2025-08-12 Yuhao Liu , Rui Hu , Yu Chen , Longbo Huang

The matrix exponential is a fundamental operator in scientific computing and system simulation, with applications ranging from control theory and quantum mechanics to modern generative machine learning. While Pad\'e approximants combined…

Machine Learning · Computer Science 2026-01-12 Jorge Sastre , Daniel Faronbi , José Miguel Alonso , Peter Traver , Javier Ibáñez , Nuria Lloret

Because of the complexity of fluid flow solvers, non-intrusive uncertainty quantification techniques have been developed in aerodynamic simulations in order to compute the quantities of interest required in an optimization process, for…

Computational Physics · Physics 2018-03-02 Éric Savin , Béatrice Faverjon

Atomistic simulations with methods such as molecular dynamics are extremely powerful tools to understand nanoscale dynamical behavior. The resulting trajectories, by the virtue of being embedded in a high-dimensional configuration space,…

Statistical Mechanics · Physics 2020-08-27 Animesh Agarwal , Sandrasegaram Gnanakaran , Nicholas Hengartner , Arthur F. Voter , Danny Perez

This paper develops power series expansions of a general class of moment functions, including transition densities and option prices, of continuous-time Markov processes, including jump--diffusions. The proposed expansions extend the ones…

Econometrics · Economics 2023-08-21 Dennis Kristensen , Young Jun Lee , Antonio Mele

We present a systematic treatment of scattering processes for quantum systems whose time evolution is discrete. We define and show some general properties of the scattering operator, in particular the conservation of quasi-energy which is…

Quantum Physics · Physics 2021-06-28 Alessandro Bisio , Nicola Mosco , Paolo Perinotti