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Hamiltonian Monte Carlo (HMC) is a powerful tool for Bayesian statistical inference due to its potential to rapidly explore high dimensional state space, avoiding the random walk behavior typical of many Markov Chain Monte Carlo samplers.…

In previous papers, explicit symplectic integrators were designed for nonrotating black holes, such as a Schwarzschild black hole. However, they fail to work in the Kerr spacetime because not all variables can be separable, or not all…

General Relativity and Quantum Cosmology · Physics 2021-06-24 Xin Wu , Ying Wang , Wei Sun , Fuyao Liu

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

Contour integration schemes are a valuable tool for the solution of difficult interior eigenvalue problems. However, the solution of many large linear systems with multiple right hand sides may prove a prohibitive computational expense. The…

Numerical Analysis · Mathematics 2020-10-21 Sarah Huber , Yasunori Futamura , Martin Galgon , Akira Imakura , Bruno Lang , Tetsuya Sakurai

Long-term stability studies of nonlinear Hamiltonian systems require symplectic integration algorithms which are both fast and accurate. In this paper, we study a symplectic integration method wherein the symplectic map representing the…

Computational Physics · Physics 2007-05-23 Govindan Rangarajan

This paper surveys in detail the relations between numerical integration and the Hamiltonian (or hybrid) Monte Carlo method (HMC). Since the computational cost of HMC mainly lies in the numerical integrations, these should be performed as…

Probability · Mathematics 2020-07-21 Nawaf Bou-Rabee , Jesús María Sanz-Serna

We propose a novel, flexible algorithm for combining together metaheuristicoptimizers for non-convex optimization problems. Our approach treatsthe constituent optimizers as a team of complex agents that communicateinformation amongst each…

Neural and Evolutionary Computing · Computer Science 2019-06-06 Sujit Pramod Khanna , Alexander Ororbia

In a previous paper, second- and fourth-order explicit symplectic integrators were designed for a Hamiltonian of the Schwarzschild black hole. Following this work, we continue to trace the possibility of the construction of explicit…

General Relativity and Quantum Cosmology · Physics 2021-03-05 Ying Wang , Wei Sun , Fuyao Liu , Xin Wu

We propose explicit symplectic integrators of molecular dynamics (MD) algorithms for rigid-body molecules in the canonical and isothermal-isobaric ensembles. We also present a symplectic algorithm in the constant normal pressure and lateral…

Statistical Mechanics · Physics 2007-05-23 Hisashi Okumura , Satoru G. Itoh , Yuko Okamoto

Modified Hamiltonian Monte Carlo (MHMC) methods combine the ideas behind two popular sampling approaches: Hamiltonian Monte Carlo (HMC) and importance sampling. As in the HMC case, the bulk of the computational cost of MHMC algorithms lies…

It is well known that symplectic integrators lose their near energy preservation properties when variable step sizes are used. The most common approach to combine adaptive step sizes and symplectic integrators involves the Poincar\'e…

Numerical Analysis · Mathematics 2021-06-25 Valentin Duruisseaux , Jeremy Schmitt , Melvin Leok

We present two novel applications of symmetries for mixed-integer linear programming. First we propose two variants of a new heuristic to improve the objective value of a feasible solution using symmetries. These heuristics can use either…

Optimization and Control · Mathematics 2014-08-19 Philipp M. Christophel , Menal Güzelsoy , Imre Pólik

Symplectic integration of autonomous Hamiltonian systems is a well-known field of study in geometric numerical integration, but for non-autonomous systems the situation is less clear, since symplectic structure requires an even number of…

Numerical Analysis · Mathematics 2014-09-18 Håkon Marthinsen , Brynjulf Owren

The difference variational bicomplex, which is the natural setting for systems of difference equations, is constructed and used to examine the geometric and algebraic properties of various systems. Exactness of the bicomplex gives a…

Mathematical Physics · Physics 2026-04-21 Linyu Peng , Peter E. Hydon

Most numerical integration algorithms are not designed specifically for Hamiltonian systems and do not respect their characteristic properties, which include the preservation of phase space volume with time. This can lead to spurious…

Astrophysics · Physics 2015-06-24 David JD Earn

While symplectic integration methods based on operator splitting are well established in many branches of science, high order methods for Hamiltonian systems that split in more than two parts have not been studied in great detail. Here, we…

Computational Physics · Physics 2015-06-15 Ch. Skokos , E. Gerlach , J. D. Bodyfelt , G. Papamikos , S. Eggl

This paper deals with the numerical integration of Hamiltonian systems in which a stiff anharmonic potential causes highly oscillatory solution behavior with solution-dependent frequencies. The impulse method, which uses micro- and…

Numerical Analysis · Mathematics 2014-07-23 Christian Lubich , Daniel Weiss

A universal family of Hamiltonians can be used to simulate any local Hamiltonian by encoding its full spectrum as the low-energy subspace of a Hamiltonian from the family. Many spin-lattice model Hamiltonians -- such as Heisenberg or XY…

Quantum Physics · Physics 2021-02-08 Leo Zhou , Dorit Aharonov

We report a few sumerical tests comparing some newly defined energy-preserving integrators and symplectic methods, using either constant and variable stepsize.

Numerical Analysis · Mathematics 2010-09-30 Luigi Brugnano , Felice Iavernaro , Donato Trigiante

In this paper, we are concerned with the construction and analysis of a new class of methods obtained as double jump compositions with complex coefficients and projection on the real axis. It is shown in particular that the new integrators…

Numerical Analysis · Mathematics 2020-05-27 Fernando Casas , Philippe Chartier , Alejandro Escorihuela-Tomas , Yong Zhang
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