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Time dependent quantum systems have become indispensable in science and its applications, particularly at the atomic and molecular levels. Here, we discuss the approximation of closed time dependent quantum systems on bounded domains, via…

Analysis of PDEs · Mathematics 2017-09-19 Joseph W. Jerome

We study the problem of approximating orthogonal matrices so that their application is numerically fast and yet accurate. We find an approximation by solving an optimization problem over a set of structured matrices, that we call extended…

Numerical Analysis · Mathematics 2021-03-24 Cristian Rusu , Lorenzo Rosasco

The simulation of systems that act on multiple time scales is challenging. A stable integration of the fast dynamics requires a highly accurate approximation whereas for the simulation of the slow part, a coarser approximation is accurate…

Numerical Analysis · Mathematics 2024-06-21 Sina Ober-Blöbaum , Theresa Wenger , Tobias Gail , Sigrid Leyendecker

Numerical integrators could be used to form interpolation conditions when training neural networks to approximate the vector field of an ordinary differential equation (ODE) from data. When numerical one-step schemes such as the Runge-Kutta…

Numerical Analysis · Mathematics 2023-03-08 Håkon Noren

Dynamic systems have a fundamental relevance in the description of physical phenomena. The search for more accurate and faster numerical integration methods for the resolution of such systems is, therefore, an important topic of research.…

Computational Physics · Physics 2025-10-10 J. Avellar , L. G. S. Duarte , L. A. C. P. da Mota , L. O. Pereira

We consider in this paper the problem of computing a nonnegative low-rank approximation of the rightmost eigenpair of a linear matrix-valued real operator. We propose an algorithm based on the time integration of a suitable differential…

Numerical Analysis · Mathematics 2026-03-16 Nicolas Gillis , Carmela Scalone

Dynamical systems with quadratic outputs have recently attracted significant attention. In this paper, we consider bilinear dynamical systems, a special class of weakly nonlinear systems, with a quadratic output. We develop various…

Numerical Analysis · Mathematics 2025-07-08 Heike Faßbender , Serkan Gugercin , Till Peters

-Molecular simulations allow the study of properties and interactions of molecular systems. This article presents an improved version of the Adaptive Resolution Scheme that links two systems having atomistic (also called fine-grained) and…

Computational Engineering, Finance, and Science · Computer Science 2017-08-01 Iuliana Marin , Virgil Tudose , Anton Hadar , Nicolae Goga , Andrei Doncescu

In this work we recast parametrized time dependent optimal control problems governed by partial differential equations in a saddle point formulation and we propose reduced order methods as an effective strategy to solve them. Indeed, on one…

Numerical Analysis · Mathematics 2023-08-08 Maria Strazzullo , Francesco Ballarin , Gianluigi Rozza

Parametric model order reduction by matrix interpolation allows for efficient prediction of the behavior of dynamic systems without requiring knowledge about the underlying parametric dependency. Within this approach, reduced models are…

Dynamical Systems · Mathematics 2025-06-03 Sebastian Resch-Schopper , Romain Rumpler , Gerhard Müller

Most numerical methods for time integration use real time steps. Complex time steps provide an additional degree of freedom, as we can select the magnitude of the step in both the real and imaginary directions. By time stepping along…

Numerical Analysis · Mathematics 2022-12-06 Jithin D. George , Samuel Y. Jung , Niall M. Mangan

When applied to stiff, linear differential equations with time-dependent forcing, Runge-Kutta methods can exhibit convergence rates lower than predicted by the classical order condition theory. Commonly, this order reduction phenomenon is…

Numerical Analysis · Mathematics 2022-02-15 Steven Roberts , Adrian Sandu

The moments of spatial probabilistic systems are often given by an infinite hierarchy of coupled differential equations. Moment closure methods are used to approximate a subset of low order moments by terminating the hierarchy at some order…

Machine Learning · Computer Science 2019-05-30 Oliver K. Ernst , Tom Bartol , Terrence Sejnowski , Eric Mjolsness

A structure preserving proper orthogonal decomposition reduce-order modeling approach has been developed in [Gong et al. 2017] for the Hamiltonian system, which uses the traditional framework of Galerkin projection-based model reduction but…

Numerical Analysis · Mathematics 2021-03-03 Zhu Wang

We present a gradient-based identification algorithm to identify the system matrices of a linear port-Hamiltonian system from given input-output time data. Aiming for a direct structure-preserving approach, we employ techniques from optimal…

Optimization and Control · Mathematics 2023-12-22 Michael Günther , Birgit Jacob , Claudia Totzeck

This paper considers the reduction of the Langevin equation arising from bio-molecular models. To facilitate the construction and implementation of the reduced models, the problem is formulated as a reduced-order modeling problem. The…

Numerical Analysis · Mathematics 2019-10-04 Lina Ma , Xiantao Li , Chun Liu

Two specialized algorithms for the numerical integration of the equations of motion of a Brownian walker obeying detailed balance are introduced. The algorithms become symplectic in the appropriate limits, and reproduce the equilibrium…

Statistical Mechanics · Physics 2009-11-10 R Mannella

The result after $N$ steps of an implicit Runge-Kutta time discretization of an inhomogeneous linear parabolic differential equation is computed, up to accuracy $\epsilon$, by solving only $$O\Big(\log N \log \frac1\epsilon \Big) $$ linear…

Numerical Analysis · Mathematics 2011-11-10 María López-Fernández , Christian Lubich , Cesar Palencia , Achim Schädle

This paper considers an optimization problem for a dynamical system whose evolution depends on a collection of binary decision variables. We develop scalable approximation algorithms with provable suboptimality bounds to provide…

Optimization and Control · Mathematics 2016-10-31 Insoon Yang , Samuel A. Burden , Ram Rajagopal , S. Shankar Sastry , Claire J. Tomlin

A deterministic approximation algorithm is presented for the maximization of non-monotone submodular functions over a ground set of size $n$ subject to cardinality constraint $k$; the algorithm is based upon the idea of interlacing two…

Data Structures and Algorithms · Computer Science 2019-10-28 Alan Kuhnle
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