Let
be the Hamiltonian. The Hamiltonian Monte Carlo proposal is accepted with the Metropolis–Hastings acceptance probability
The leapfrog map is volume preserving and reversible after momentum reversal, so no proposal-density Jacobian appears.
Hamiltonian Monte Carlo augments the position by an independent momentum and uses the Hamiltonian function
From the current , draw a fresh , apply a fixed number of leapfrog steps to approximate Hamiltonian flow, and obtain . The Metropolis–Hastings acceptance probability is
otherwise retain . Momentum negation may be included to make the proposal explicitly reversible. The leapfrog map is volume preserving and reversible, while the acceptance step corrects its discretization error, leaving invariant after the momentum is discarded.
Radford M. Neal 2026-11-05
His MCMC Using Hamiltonian Dynamics by Radford M. Neal develops Hamiltonian Monte Carlo: introduce auxiliary momenta, simulate approximately energy-preserving motion and correct discretization error with a Metropolis–Hastings algorithm. Longer, directed proposals can explore a target more effectively than a diffusive random walk. The combination of volume preservation, reversibility and an acceptance correction explains why an approximate numerical trajectory can still produce the intended invariant distribution.[ref]
Figure 1.
Radford M. Neal
. Portrait linked from the author homepage. Source.