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Computing Gaussian ground states via variational optimization is challenging because the covariance matrices must satisfy the uncertainty principle, rendering constrained or Riemannian optimization costly, delicate, and thus difficult to…

Quantum Physics · Physics 2026-01-29 Christopher Willby , Tomohiro Hashizume , Jason Crain , Dieter Jaksch

Symplectic integrators constructed from Hamiltonian and Lie formalisms are obtained as symplectic maps whose flow follows the exact solution of a "sourrounded" Hamiltonian K = H + h^k H_1. Those modified Hamiltonians depends virtually on…

Symplectic Geometry · Mathematics 2012-01-04 Hugo Jiménez-Pérez

The existence of explicit symplectic integrators for general nonseparable Hamiltonian systems is an open and important problem in both numerical analysis and computing in science and engineering, as explicit integrators are usually more…

Numerical Analysis · Mathematics 2025-04-18 Lijie Mei , Xinyuan Wu , Yaolin Jiang

We present a variational optimization approach for the solution of a coefficient inverse problem of simultaneous reconstruction of the dielectric permittivity and conductivity functions in time-dependent Maxwell's system using limited…

Numerical Analysis · Mathematics 2026-02-23 Eric Lindström , Larisa Beilina

We introduce a recent symplectic integration scheme derived for solving physically motivated systems with non-separable Hamiltonians. We show its relevance to Riemannian manifold Hamiltonian Monte Carlo (RMHMC) and provide an alternative to…

Machine Learning · Statistics 2019-10-15 Adam D. Cobb , Atılım Güneş Baydin , Andrew Markham , Stephen J. Roberts

We show that symplectic Runge-Kutta methods provide effective symplectic integrators for Hamiltonian systems with index one constraints. These include the Hamiltonian description of variational problems subject to position and velocity…

Numerical Analysis · Mathematics 2014-02-28 Robert I McLachlan , Klas Modin , Olivier Verdier , Matt Wilkins

Given a fluid equation with reduced Lagrangian $l$ which is a functional of velocity $\MM{u}$ and advected density $D$ given in Eulerian coordinates, we give a general method for semidiscretising the equations to give a canonical…

Numerical Analysis · Mathematics 2007-05-23 Colin Cotter

In this paper, we present a stochastic augmented Lagrangian approach on (possibly infinite-dimensional) Riemannian manifolds to solve stochastic optimization problems with a finite number of deterministic constraints.We investigate the…

Optimization and Control · Mathematics 2025-04-01 Caroline Geiersbach , Tim Suchan , Kathrin Welker

This article reviews some integrators particularly suitable for the numerical resolution of differential equations on a large time interval. Symplectic integrators are presented. Their stability on exponentially large time is shown through…

Numerical Analysis · Mathematics 2018-11-26 Dina Razafindralandy , Vladimir Salnikov , Aziz Hamdouni , Ahmad Deeb

Gaussian wavepacket dynamics has proven to be a useful semiclassical approximation for quantum simulations of high-dimensional systems with low anharmonicity. Compared to Heller's original local harmonic method, the variational Gaussian…

Numerical Analysis · Mathematics 2024-09-26 Roya Moghaddasi Fereidani , Jiří JL Vaníček

We show that symplectic and linearly-implicit integrators proposed by [Zhang and Skeel, 1997] are variational linearizations of Newmark methods. When used in conjunction with penalty methods (i.e., methods that replace constraints by stiff…

Numerical Analysis · Mathematics 2014-12-08 Molei Tao , Houman Owhadi

We study a trajectory-planning problem whose solution path evolves by means of a Lie group action and passes near a designated set of target positions at particular times. This is a higher-order variational problem in optimal control,…

Dynamical Systems · Mathematics 2014-03-05 Christopher L. Burnett , Darryl D. Holm , David M. Meier

The parareal in time algorithm allows to efficiently use parallel computing for the simulation of time-dependent problems. It is based on a decomposition of the time interval into subintervals, and on a predictor-corrector strategy, where…

Numerical Analysis · Mathematics 2010-11-30 X. Dai , C. Le Bris , F. Legoll , Y. Maday

Modified Hamiltonians are used in the field of geometric numerical integration to show that symplectic schemes for Hamiltonian systems are accurate over long times. For nonlinear systems the series defining the modified Hamiltonian usually…

Numerical Analysis · Mathematics 2018-11-14 Shami A Alsallami , Jitse Niesen , Frank W Nijhoff

Optimal control problems for underactuated mechanical systems can be seen as a higher-order variational problem subject to higher-order constraints (that is, when the Lagrangian function and the constraints depend on higher-order…

Mathematical Physics · Physics 2014-10-02 Leonardo Colombo , Fernando Jiménez , David Martín de Diego

We propose to use the properties of the Lie algebra of the angular momentum to build symplectic integrators dedicated to the Hamiltonian of the free rigid body. By introducing a dependence of the coefficients of integrators on the moments…

Instrumentation and Methods for Astrophysics · Physics 2019-05-07 J. Laskar , T. Vaillant

It is well known that the Lagrangian and Hamiltonian descriptions of field theories are equivalent at the discrete time level when variational integrators are used. Besides the symplectic Hamiltonian structure, many physical systems exhibit…

Numerical Analysis · Mathematics 2024-01-18 Andrea Brugnoli , Volker Mehrmann

Among the single-trajectory Gaussian-based methods for solving the time-dependent Schr\"{o}dinger equation, the variational Gaussian approximation is the most accurate one. In contrast to Heller's original thawed Gaussian approximation, it…

Quantum Physics · Physics 2024-09-26 Roya Moghaddasi Fereidani , Jiří J. L. Vaníček

Many important physical systems can be described as the evolution of a Hamiltonian system, which has the important property of being conservative, that is, energy is conserved throughout the evolution. Physics Informed Neural Networks and…

Machine Learning · Computer Science 2025-12-10 Harsh Choudhary , Chandan Gupta , Vyacheslav Kungurtsev , Melvin Leok , Georgios Korpas

Measurement data is often sampled irregularly, i.e., not on equidistant time grids. This is also true for Hamiltonian systems. However, existing machine learning methods, which learn symplectic integrators, such as SympNets [1] and…

Machine Learning · Computer Science 2025-09-25 Konrad Janik , Peter Benner