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The Metropolized Hamiltonian chain preserves its target

Statement

Assume AC. Let d≥1, U∈C1(Rd,R) with 0<ZU<∞, and let M be real symmetric positive definite. For any ϵ>0 and finite integer L≥1, use the leapfrog map and momentum flip of One-step leapfrog map as force and drift shears, and let P be the phase-space Metropolis kernel correcting T=R∘ΦϵL with acceptance min⁡{1,exp⁡(−H(Tz)+H(z))} as in Leapfrog Hamiltonian Monte Carlo. Its target is ν(dq,dp)=π(dq)Nd(0,M)(dp) where π(dq)=ZU−1e−U(q)dq. The HMC position transition first refreshes momentum independently, applies P, and projects to position. Both are probability kernels, and the resulting position kernel leaves π invariant. The finite leapfrog map need not conserve H; no irreducibility, uniqueness, convergence, mixing-rate, or CLT conclusion is asserted.

Facts & Assumptions

Given: AC, d,U,ZU,M,ϵ,L as in the Statement and the finite leapfrog HMC procedure.

[A1]

AC states that every family of nonempty sets has a choice function. The Axiom of Choice

[A2]

AC implies Countable Choice, as used by the volume-preservation supplier. AC supplies countable selections and prescribed serial paths

[F1]

Hamiltonian Monte Carlo defines π, K, H, and the refreshed momentum law Nd(0,M).

[F2]

Leapfrog Hamiltonian Monte Carlo uses the flipped deterministic proposal and the acceptance probability min⁡{1,exp⁡(−H(z∗)+H(z))}.

[F3]

For SPD M, Nd(0,M) has Lebesgue density (2π)−d/2det⁡(M)−1/2exp⁡(−pTM−1p/2). A positive-definite multivariate normal law has its Gaussian density

[F4]

The Borel space of finite-dimensional Euclidean phase space is standard Borel. Finite-dimensional Euclidean space with its Borel sigma-algebra is standard Borel

[F5]

The kick, drift, and momentum flip maps are continuous; their composition T=R∘ΦϵL is continuous, involutive, and volume-preserving. One-step leapfrog map as force and drift shears, Leapfrog is reversible and volume-preserving

[F6]

A measurable map T gives the deterministic probability kernel QT(z,A)=δTz(A); continuous preimages of Borel sets are Borel. Measure kernel and probability kernel, The Dirac set function at a point, A continuous map has Borel preimages of Borel sets

[F7]

The coordinate swap on a finite product is measurable, so transposing the proposal flow defines a measure. Coordinate maps and permutations are measurable on finite products

[F8]

For a target probability ν and proposal kernel Q, the general Metropolis-Hastings construction uses the greatest common submeasure of the forward flow and its transpose; its acceptance function is a version of the Radon-Nikodym derivative. Metropolis–Hastings kernel

[F9]

If two finite measures have densities f,g with respect to one sigma-finite measure, their greatest common submeasure has density min⁡{f,g}. The common submeasure of two finite densities

[F10]

The general Metropolis-Hastings output kernel is reversible and invariant for its target probability. Metropolis–Hastings flow is reversible and invariant

[F11]

Each λd is Lebesgue measure from Lebesgue measurable sets, the family L(Rn), and the restricted set function λn, restricted to Borel sets. Under Countable Choice, the Borel product agrees with Euclidean Lebesgue measure on Borel phase sets; finite products of sigma-finite measures exist, are unique on measurable rectangles, and obey Tonelli, while finite sums of measures are measures. On Borel subsets of R^{m+n}, the product lambda_m times lambda_n agrees with lambda_{m+n}, For sigma-finite factors, the product measure exists, has the rectangle formula, is sigma-finite, and is unique, Tonelli's theorem for nonnegative measurable functions on a sigma-finite product, Nonnegative scalar multiples and countable weighted sums of measures are measures

[F12]

Scalar multiples, pointwise-defined sums, products, absolute values, and finite maxima and minima of measurable real-valued functions are measurable. Arithmetic and lattice operations preserve measurability whenever they are defined

[F13]

A probability measure and a probability kernel define a probability measure on their product space by iterated integration. A prior and model kernel define a joint law

[F14]

A measurable measure-preserving map T satisfies ∫h∘T dλ=∫h dλ for every nonnegative measurable h. Measure-preserving transformations and systems, Integral invariance under measure-preserving maps

[F15]

Probability kernels compose by integration; the composition is a probability kernel and is associative. Composition of probability kernels, Kernel composition is well defined and associative

[F16]

For product-measurable C, the refresh formula S(q,C)=∫1C(q,p)Nd(0,M)(dp) defines a probability kernel from positions to phase space: for fixed q the section measure is countably additive with mass one, and kernel integration makes its evaluation measurable in q. The product sigma-algebra and its finite iterates, Probability measures and probability spaces, Every section of a product-measurable function is measurable, Measurability of integration against a kernel

[F17]

The continuous position projection pr⁡q(q,p)=q defines the deterministic probability kernel J((q,p),A)=1A(q). The Dirac set function at a point, Measure kernel and probability kernel, A continuous map has Borel preimages of Borel sets

[F18]

The phase density ρ is finite-valued, strictly positive, and Borel on E=R2d. Write Pq(q,p)=q, Pp(q,p)=p, and K(p)=12∑i,j=1d(M−1)ijpipj. The Euclidean coordinate projections Pq,Pp and scalar coordinate maps pi:E→R are continuous (each projection does not increase Euclidean distance). Since U is continuous, for each Borel B⊆R the set (U∘Pq)−1(B)=Pq−1(U−1(B)) is Borel by the continuous-preimage theorem. The finite coordinate formula and [F12] make K∘Pp Borel. The same inverse-image identity, using continuity of the exponential, shows that e−U∘Pq and e−K∘Pp are Borel. Their product with the positive normalizing constant in [F1] and [F3] is ρ; it is finite and strictly positive because U,K are real-valued and the exponential is positive. Hamiltonian Monte Carlo, A positive-definite multivariate normal law has its Gaussian density, Arithmetic and lattice operations preserve measurability whenever they are defined, A continuous map has Borel preimages of Borel sets, The exponential function is strictly increasing, The exponential is positive and satisfies exp⁡(−x)=1/exp⁡(x)

[F19]

For a probability measure m and probability kernel K, (mK)(A)=∫K(x,A)m(dx); invariance means mK=m. Invariant and stationary distribution for a Markov kernel

[F20]

If τ is measurable, then C↦μ(τ−1C) is a measure, since inverse images preserve disjoint unions and countable unions. Measures on sigma-algebras, A measurable function between measurable spaces

[F21]

Integrating a nonnegative measurable function against a Dirac probability measure evaluates it at the point. Integration against a Dirac measure evaluates at its point

[F22]

For every product-measurable C⊆E×E, the graph map GT(z)=(z,Tz) is measurable: z↦z and the continuous map T are measurable, so the finite-product coordinate-map lemma applies. Hence z↦1C(z,Tz)ρ(Tz) is nonnegative Borel by [F12] and [F18]. Also, on E×E, the first-coordinate projection is measurable because the preimage of each Borel A⊆E is A×E. It follows that u(x,y)=ρ(x) and v(x,y)=ρ(Tx) are positive Borel functions. Their sum u+v is positive Borel; viewed as a map into the subspace (0,∞), it is measurable. The one-dimensional continuity-algebra result applied to 1 and the identity on (0,∞) makes t↦1/t continuous there, so its composition with u+v is Borel. Therefore u/(u+v) and v/(u+v) are Borel by multiplication, without using a quotient-closure claim. Coordinate maps and permutations are measurable on finite products, The product sigma-algebra and its finite iterates, Arithmetic and lattice operations preserve measurability whenever they are defined, Sums, scalar multiples, products, absolute values, maxima, minima and quotients with nonvanishing denominator of continuous functions are continuous, as are constants, the identity and every polynomial function, A continuous map has Borel preimages of Borel sets

Proof

technique · identify the accepted-flow density on the graph of the involution, then compose invariant kernels
1.1A1A2F1F3F11F13F18given

Let λ=λd⊗λd on the product Borel phase space, where λd denotes the Borel restriction of Lebesgue measure. Put ϕ(q)=ZU−1e−U(q) and ψ(p)=(2π)−d/2det⁡(M)−1/2e−K(p). By [F1] and [F3], these are probability densities for π and Nd(0,M). For every product-measurable C⊆E, Tonelli in [F11] and these density identities give ∫E1C(q,p)ϕ(q)ψ(p) dλ=∫Rdϕ(q)(∫Rd1C(q,p)ψ(p) dλd(p))dλd(q)=∫RdNd(0,M)(Cq) π(dq)=ν(C), where the final equality is the product-law formula (equivalently [F13] for the constant momentum-refresh kernel). Taking C=E also gives ∫ϕ(q)ψ(p) dλ=1. Thus ρ(q,p)=ϕ(q)ψ(p) is a density of ν with respect to λ. The Borel product agrees with Euclidean phase-space Lebesgue measure by [F11], and [F18] gives strict positivity of ρ. The Countable Choice hypothesis of [F11] follows from [A2].

1.2A2F4F5F6construct

Write T=R∘ΦϵL. By [F5], T is continuous, involutive, and volume-preserving. For each z, QT(z,⋅)=δTz is a probability measure by [F6]; for each Borel A, z↦QT(z,A)=1A(Tz) is measurable by [F6]. Thus QT is a probability kernel on the standard-Borel phase space [F4]. Countable Choice needed for [F5] follows from [A2].

2.1A2F5F6F7F11F13F14F18F20F21F22step 1.1algebra

Let μ(dz,dw)=ν(dz)QT(z,dw) and τ(z,w)=(w,z). By [F13], μ is a probability measure; [F7] makes τ measurable, so [F20] makes its pushforward μT(C):=μ(τ−1C) a measure. For product-measurable C, [F6] and [F21] give μ(C)=∫1C(z,Tz)ρ(z) dλ(z),μT(C)=∫1C(Tz,z)ρ(z) dλ(z). The second formula is the definition of transpose. Put h(x)=1C(x,Tx)ρ(Tx), which is nonnegative Borel by [F22]. Since T2=I, h(Tz)=1C(Tz,z)ρ(z), so [F14] gives μT(C)=∫1C(z,Tz)ρ(Tz) dλ(z). Therefore [F11] makes λ0:=μ+μT a finite measure λ0(C)=∫1C(z,Tz)(ρ(z)+ρ(Tz)) dλ(z).

3.1F1F3F9F11F12F18F22step 1.1step 2.1algebra

For all (x,y) set f(x,y)=ρ(x)ρ(x)+ρ(Tx),g(x,y)=ρ(Tx)ρ(x)+ρ(Tx). They are Borel by [F22], using the product closure in [F12]. By the graph integral formula in step 2.1, ∫Cf dλ0=∫1C(z,Tz)ρ(z) dλ(z)=μ(C); similarly ∫Cg dλ0=μT(C). Thus they are densities. By [F9], the common accepted flow has density min⁡{f,g}. Since ρ(z)>0 by [F18], its derivative relative to the forward flow on that graph is min⁡{f,g}f=min⁡{1,ρ(Tz)/ρ(z)}=min⁡{1,e−H(Tz)+H(z)}, where the Gaussian and target normalizing constants cancel.

4.1F2F8F10step 3.1

Thus the acceptance formula in [F2] is a version of the accepted-flow derivative in [F8]. Applying [F10] to target ν and proposal kernel QT shows that the Metropolized phase-space kernel preserves ν.

5.1A2F1F11F13F15F16F17F19step 4.1algebra∎

Let S be the refresh kernel of [F16] and J the position kernel of [F17]. With P the phase-space Metropolis kernel from step 4.1, [F15] makes K:=SPJ a probability kernel on positions. By [F13], refreshing a π-distributed position defines a probability law m on phase space. On Borel rectangles A×B, this law is m(A×B)=∫ANd(0,M)(B) π(dq)=π(A)Nd(0,M)(B); [A2, F11] and uniqueness on rectangles give m=ν. Thus mP=νP=ν by step 4.1, and (νJ)(A)=ν(A×Rd)=π(A) since Nd(0,M) is a probability. By the kernel-composition definition [F15] and the measure action [F19], the output law under K=SPJ is πK=mPJ=νPJ=νJ=π. This proves invariance of the HMC position kernel.

Remarks

The plan inventory names the BCS-30 result as thm-metropolis-hastings-kernel-preserves-target. The current authored BCS-30 manifest/body instead supplies thm-metropolis-hastings-kernel-is-reversible-and-invariant; the proof above uses that actual body, whose statement includes general-state target invariance under AC.

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