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We introduce an approach for imposing physically informed inductive biases in learned simulation models. We combine graph networks with a differentiable ordinary differential equation integrator as a mechanism for predicting future states,…

Machine Learning · Computer Science 2019-09-30 Alvaro Sanchez-Gonzalez , Victor Bapst , Kyle Cranmer , Peter Battaglia

We introduce a generalizable framework for learning to identify effective Hamiltonians directly from experimental data in solid-state quantum systems. Our approach is based on a physics-informed neural network architecture that embeds…

Mesoscale and Nanoscale Physics · Physics 2026-03-04 Jarosław Pawłowski , Mateusz Krawczyk

Quantum systems governed by time-dependent Hamiltonians pose significant challenges for the accurate computation of unitary time-evolution operators, which are essential for predicting quantum state dynamics. In this work, we introduce a…

Quantum Physics · Physics 2026-01-21 Antonio Guerra , Daniel Uzcategui-Contreras , Aldo Delgado , Esteban S. Gómez

We study Runge-Kutta methods for rough differential equations which can be used to calculate solutions to stochastic differential equations driven by processes that are rougher than a Brownian motion. We use a Taylor series representation…

Numerical Analysis · Mathematics 2020-03-31 Martin Redmann , Sebastian Riedel

In this paper, two novel classes of implicit exponential Runge-Kutta (ERK) methods are studied for solving highly oscillatory systems. First of all, we analyze the symplectic conditions of two kinds of exponential integrators, and present a…

Numerical Analysis · Mathematics 2023-12-05 Xianfa Hu , Wansheng Wang , Bin Wang , Yonglei Fang

In this article we study the possibilities of recovering the structure of port-Hamiltonian systems starting from ``unlabelled'' ordinary differential equations describing mechanical systems. The algorithm we suggest solves the problem in…

Computational Engineering, Finance, and Science · Computer Science 2023-04-26 Vladimir Salnikov , Antoine Falaize , Daria Loziienko

In this paper, explicit stable integrators based on symplectic and contact geometries are proposed for a non-autonomous ordinarily differential equation (ODE) found in improving convergence rate of Nesterov's accelerated gradient method.…

Numerical Analysis · Mathematics 2021-06-15 Shin-itiro Goto , Hideitsu Hino

A method for learning Hamiltonian dynamics from a limited and noisy dataset is proposed. The method learns a Hamiltonian vector field on a reproducing kernel Hilbert space (RKHS) of inherently Hamiltonian vector fields, and in particular,…

Machine Learning · Computer Science 2024-11-05 Torbjørn Smith , Olav Egeland

Using a recent characterization of energy-preserving B-series, we derive the explicit conditions on the coefficients of a Runge-Kutta method that ensure energy preservation (for Hamiltonian systems) up to a given order in the step size,…

Numerical Analysis · Mathematics 2025-01-24 Gabriel A. Barrios de León , David I. Ketcheson , Hendrik Ranocha

The combination of numerical integration and deep learning, i.e., ODE-net, has been successfully employed in a variety of applications. In this work, we introduce inverse modified differential equations (IMDE) to contribute to the behaviour…

Numerical Analysis · Mathematics 2021-08-16 Aiqing Zhu , Pengzhan Jin , Beibei Zhu , Yifa Tang

The design of numerical integrators for solving stochastic dynamics with high weak order relies on tedious calculations and is subject to a high number of order conditions. The original approaches from the literature consider strong…

Numerical Analysis · Mathematics 2026-03-26 Adrien Busnot Laurent , Kristian Debrabant , Anne Kværnø

Recently, there has been an increasing interest in modelling and computation of physical systems with neural networks. Hamiltonian systems are an elegant and compact formalism in classical mechanics, where the dynamics is fully determined…

Numerical Analysis · Mathematics 2022-06-28 Elena Celledoni , Andrea Leone , Davide Murari , Brynjulf Owren

We study the learning of numerical algorithms for scientific computing, which combines mathematically driven, handcrafted design of general algorithm structure with a data-driven adaptation to specific classes of tasks. This represents a…

Numerical Analysis · Mathematics 2022-07-12 Yue Guo , Felix Dietrich , Tom Bertalan , Danimir T. Doncevic , Manuel Dahmen , Ioannis G. Kevrekidis , Qianxiao Li

A semiclassical formula for the coherent-state propagator requires the determination of specific classical paths inhabiting a complex phase-space through a Hamiltonian flux. Such trajectories are constrained to special boundary conditions…

Quantum Physics · Physics 2017-02-01 A. L. Xavier

In recent years, the efficient numerical solution of Hamiltonian problems has led to the definition of a class of energy-conserving Runge-Kutta methods named Hamiltonian Boundary Value Methods (HBVMs). Such methods admit an interesting…

Numerical Analysis · Mathematics 2022-04-22 Pierluigi Amodio , Luigi Brugnano , Felice Iavernaro

Runge-Kutta methods are a popular class of numerical methods for solving ordinary differential equations. Every Runge-Kutta method is characterized by two basic parameters: its order, which measures the accuracy of the solution it produces,…

Numerical Analysis · Mathematics 2019-11-04 David K. Zhang

In this paper, we construct stochastic symplectic Runge--Kutta (SSRK) methods of high strong order for Hamiltonian systems with additive noise. By means of colored rooted tree theory, we combine conditions of mean-square order 1.5 and…

Numerical Analysis · Mathematics 2017-05-24 Weien Zhou , Jingjing Zhang , Jialin Hong , Songhe Song

Classical and new numerical schemes are generated using evolutionary computing. Differential Evolution is used to find the coefficients of finite difference approximations of function derivatives, and of single and multi-step integration…

Neural and Evolutionary Computing · Computer Science 2014-01-02 C. D. Erdbrink , V. V. Krzhizhanovskaya , P. M. A. Sloot

We introduce a class of general purpose linear multisymplectic integrators for Hamiltonian wave equations based on a diamond-shaped mesh. On each diamond, the PDE is discretized by a symplectic Runge--Kutta method. The scheme advances in…

Numerical Analysis · Mathematics 2014-02-21 R I McLachlan , M C Wilkins

Hamiltonian simulation, i.e., simulating the real time evolution of a target quantum system, is a natural application of quantum computing. Trotter-Suzuki splitting methods can generate corresponding quantum circuits; however, a faithful…

Quantum Physics · Physics 2024-03-21 Ayse Kotil , Rahul Banerjee , Qunsheng Huang , Christian B. Mendl