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Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…

Quantum Physics · Physics 2026-03-10 Benjamin Mokhtar , Noboru Inoue , Takashi Tsuchimochi

We consider the assimilation of Lagrangian data into a primitive equations circulation model of the ocean at basin scale. The Lagrangian data are positions of floats drifting at fixed depth. We aim at reconstructing the four-dimensional…

Optimization and Control · Mathematics 2009-11-13 Maëlle Nodet

Phase fitting has been extensively used during the last years to improve the behaviour of numerical integrators on oscillatory problems. In this work, the benefits of the phase fitting technique are embedded in discrete Lagrangian…

Mathematical Physics · Physics 2015-05-13 O. T. Kosmas , D. S. Vlachos

We study the connection between Lagrangian and Hamiltonian descriptions of closed/open dynamics, for a collection of particles with quadratic interaction (closed system) and a sub-collection of particles with linear damping (open system).…

Classical Physics · Physics 2018-09-18 Farhang Haddad Farshi , Fernando Jiménez , Sina Ober-Blöbaum

Systems with singular higher order- Lagrangians are investigated by using the extended form of the canonical method. Besides, the canonical path integral formulation is generalized using the Hamilton- jacobi formulation to investigate…

Mathematical Physics · Physics 2007-05-23 Sami I. Muslih

We have proposed new algorithms for the numerical integration of the equations of motion for classical spin systems. In close analogy to symplectic integrators for Hamiltonian equations of motion used in Molecular Dynamics these algorithms…

Statistical Mechanics · Physics 2009-10-31 M. Krech , Alex Bunker , D. P. Landau

Variational inference is a powerful paradigm for approximate Bayesian inference with a number of appealing properties, including support for model learning and data subsampling. By contrast MCMC methods like Hamiltonian Monte Carlo do not…

Machine Learning · Statistics 2022-07-14 Martin Jankowiak , Du Phan

We propose a high-order version of the augmented Lagrangian method for solving convex optimization problems with linear constraints, which achieves arbitrarily fast -- and even superlinear -- convergence rates. First, we analyze the…

Optimization and Control · Mathematics 2026-01-21 Young-Ju Lee , Jongho Park

Symplectic integration methods based on operator splitting are well established in many branches of science. For Hamiltonian systems which split in more than two parts, symplectic methods of higher order have been studied in detail only for…

The discrete gradient methods are integrators designed to preserve invariants of ordinary differential equations. From a formal series expansion of a subclass of these methods, we derive conditions for arbitrarily high order. We derive…

Numerical Analysis · Mathematics 2022-01-19 Sølve Eidnes

Structured latent variables allow incorporating meaningful prior knowledge into deep learning models. However, learning with such variables remains challenging because of their discrete nature. Nowadays, the standard learning approach is to…

Machine Learning · Computer Science 2021-10-29 Kirill Struminsky , Artyom Gadetsky , Denis Rakitin , Danil Karpushkin , Dmitry Vetrov

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

The article introduces a method to learn dynamical systems that are governed by Euler--Lagrange equations from data. The method is based on Gaussian process regression and identifies continuous or discrete Lagrangians and is, therefore,…

Numerical Analysis · Mathematics 2025-07-01 Christian Offen

Dynamical low-rank approximation has become a valuable tool to perform an on-the-fly model order reduction for prohibitively large matrix differential equations. A core ingredient is the construction of integrators that are robust to the…

Numerical Analysis · Mathematics 2024-02-14 Gianluca Ceruti , Lukas Einkemmer , Jonas Kusch , Christian Lubich

Using the equivalent inclusion method (a method strongly related to the Hashin-Shtrikman variational principle) as a surrogate model, we propose a variance reduction strategy for the numerical homogenization of random composites made of…

Computational Engineering, Finance, and Science · Computer Science 2023-04-04 Sebastien Brisard , Michael Bertin , Frederic Legoll

An equation is obtained to find the Lagrangian for a one-dimensional autonomous system. The continuity of the first derivative of its constant of motion is assumed. This equation is solved for a generic nonconservative autonomous system…

Mathematical Physics · Physics 2009-11-10 G. Gonzalez

In this paper we show how the well-know local symmetries of Lagrangeans systems, and in particular the diffeomorphism invariance, emerge in the Hamiltonian formulation. We show that only the constraints which are linear in the momenta…

High Energy Physics - Theory · Physics 2010-11-01 V. Mukhanov , A. Wipf

In this paper, we develop a structure-preserving discretization of the Lagrangian framework for electromagnetism, combining techniques from variational integrators and discrete differential forms. This leads to a general family of…

Numerical Analysis · Mathematics 2015-11-05 Ari Stern , Yiying Tong , Mathieu Desbrun , Jerrold E. Marsden

In this paper, high-order numerical integrators on homogeneous spaces will be presented as an application of nonholonomic partitioned Runge-Kutta Munthe-Kaas (RKMK) methods on Lie groups. A homogeneous space $M$ is a manifold where a group…

Numerical Analysis · Mathematics 2022-01-31 Rodrigo T. Sato Martín de Almagro

In the present work, a kind of trigonometric collocation methods based on Lagrange basis polynomials is developed for effectively solving multi-frequency oscillatory second-order differential equations…

Numerical Analysis · Mathematics 2018-02-22 Bin Wang , Xinyuan Wu , Fanwei Meng