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The exact-flow Hamiltonian Monte Carlo limit

Example

For the standard-normal target U(q)=q2/2 with M=1, exact integration for time π/2, followed by the required momentum flip, proposes an independent standard-normal position and has acceptance probability one. This is the exact-flow limit; a finite leapfrog map generally has a nonzero energy error.

Facts & Assumptions

Given: AC, U(q)=q2/2, M=1, current position q, refreshed momentum p∼N(0,1), and exact integration time τ=π/2.

[F1]

The HMC target is proportional to e−U(q), the kinetic energy is p2/2, and the momentum is refreshed independently from N(0,1). Hamiltonian Monte Carlo

[F2]

The standard normal law has density (2π)−1/2e−x2/2. Standard normal and normal laws

[F3]

Under Countable Choice, U∈C2, and completeness, the exact Hamiltonian flow preserves H and phase volume. A complete Hamiltonian flow for a C2 potential preserves energy and phase volume

[F4]

A globally state-Lipschitz vector field has a unique global solution through each initial state. A globally state-Lipschitz vector field on R×Rn has global solutions

[F5]

AC implies Countable Choice, the axiom required for the exact-flow volume result. AC supplies countable selections and prescribed serial paths

Proof

technique · solve the linear Hamilton equations and apply the exact-flow correction
1.1F1F3F4F5givenalgebra

Here Hamilton's equations are q˙=p and p˙=−q. For z=(q,p) and w=(q~,p~), ∥F(z)−F(w)∥22=∣p−p~∣2+∣q−q~∣2=∥z−w∥22, so the field is globally 1-Lipschitz. The curves q(t)=qcos⁡t+psin⁡t,p(t)=pcos⁡t−qsin⁡t satisfy these equations and the initial condition (q(0),p(0))=(q,p). By [F4], this global solution is the unique exact flow through (q,p); [F3] applies with the Countable Choice hypothesis supplied by [F5].

2.1F1step 1.1algebra

At t=π/2, the exact endpoint is (p,−q); flipping momentum gives z∗=(p,q). Since H(q,p)=(q2+p2)/2, H(z∗)=H(q,p) and the Metropolis acceptance probability is 1.

3.1F1F2step 2.1∎

The returned position is the refreshed p, which is independent of the old q and has law N(0,1) by [F2]. Thus every update returns an independent draw from the target. This exact-flow argument does not apply to a finite leapfrog discretization.

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