2007

Speeding up HMC with better integrators

Clark, M. A., Kennedy, A. D.

Understand

We discuss how dynamical fermion computations may be made yet cheaper by using symplectic integrators that conserve energy much more accurately without decreasing the integration step size.

  • We first explain why symplectic integrators exactly conserve a ``shadow'' Hamiltonian close to the desired one, and how this Hamiltonian may be computed in terms of Poisson brackets.
  • We then discuss how classical mechanics may be implemented on Lie groups and derive the form of the Poisson brackets and force terms for some interesting integrators such as those making use of second derivatives of the action (Hessian or force gradient integrators).
  • We hope that these will be seen to greatly improve energy conservation for only a small additional cost and that their use will significantly reduce the cost of dynamical fermion computations.

Built on

  • Higher order Hybrid Monte Carlo algorithms

    Michael Creutz and Andreas Gocksch · 1989

    Earlier work this paper cites.

  • A comparison of numerical algorithms for dynamical fermions

    Massimo Campostrini and Paolo Rossi · 1990

    Earlier work this paper cites.

  • Higher-order force gradient symplectic algorithms

    Siu A. Chin and Donald W. Kidwell · 2000

    Earlier work this paper cites.

Similar

  • Construction of high-order force-gradient algorithms for integration of motion in classical and quantum systems

    I. P. Omelyan, I. M. Mryglod, and R. Folk · 2002

    Cited alongside, same era.

  • Symplectic analytically integrable decomposition algorithms: classification, derivation, and application to molecular dynamics, quantum and celestial mechanics simulations

    I. P. Omelyan, I. M. Mryglod, and R. Folk · 2003

    Cited alongside, same era.

  • Testing and tuning symplectic integrators for the hybrid Monte Carlo algorithm in lattice QCD

    Tetsuya Takaishi and Philippe de Forcrand · 2006

    Cited alongside, same era.

Then

  • Asymptotics of Fixed Point Distributions for Inexact Monte Carlo Algorithms

    M. A. Clark and A. D. Kennedy · 2007

    Closest in time.

  • Accelerating dynamical fermion computations using the rational hybrid Monte Carlo (RHMC) algorithm with multiple pseudofermion fields

    M. A. Clark and A. D. Kennedy · 2007

    Closest in time.

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