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The canonical Gibbs measure is stationary for underdamped Langevin dynamics

Statement

Assume the data of Underdamped Langevin equation and canonical Gibbs density. Suppose V∈C3, ∇2V and ∇3V are globally bounded, and 0<Zq:=∫Rde−βV(q)dq<∞,∫Rd(1+∣∇V(q)∣)e−βV(q)dq<∞. Also assume ∫Rd∣q∣2e−βV(q)dq<∞, so the initial Gibbs state has a finite second moment as required by the strong-solution interface. Then the underdamped Langevin SDE has a unique global strong solution, and its normalized canonical Gibbs probability μ(dq dp)=Z−1e−βH(q,p)dq dp is invariant: if (Q0,P0)∼μ is F0-measurable and independent of σ(Ws−W0:s≥0), then (Qt,Pt)∼μ for every t≥0. This stationarity claim does not assert uniqueness of the invariant law, ergodicity, or any BAOAB invariant-bias estimate.

Facts & Assumptions

Given: AC, the model conventions in Underdamped Langevin equation and canonical Gibbs density, the regularity and integrability hypotheses above, and the underdamped Langevin SDE.

[F1]

Global strong well-posedness for Lipschitz Itô SDEs: globally Lipschitz coefficients with linear growth on a complete usual Brownian filtration give a unique global strong solution with finite second moments on every finite time interval.

[F2]

Multidimensional Ito formula for Brownian-driven processes: for a C1,2 test function of a Brownian It^o process, the drift term is the generator b⋅∇+12(SST):D2 and the stochastic term is an It^o integral.

[F3]

Uniqueness of a law from its characteristic function and Cramer wold device: scalar characteristic functions determine scalar Borel laws, and all one-dimensional projection laws determine a finite-dimensional Borel probability law.

[F4]

Dominated convergence: pointwise convergence under an integrable majorant permits passage to the limit in the integral.

[F5]

On Borel subsets of R^{m+n}, the product lambda_m times lambda_n agrees with lambda_{m+n} and Tonelli's theorem for nonnegative measurable functions on a sigma-finite product: under R2d=Rqd×Rpd, the 2d-dimensional Lebesgue integral of a nonnegative Borel function is its product-measure integral and Tonelli factors nonnegative product integrands.

[F6]

Gaussian integral for a positive-definite quadratic form: for symmetric positive-definite C, ∫Rde−xTCx/2dx=(2π)d/2/det⁡C.

[F7]

If u,v are differentiable on [a,b] with u′,v′ integrable, then ∫abuv′=u(b)v(b)−u(a)v(a)−∫abu′v: integration by parts holds for continuously differentiable functions on each compact coordinate interval; with [F5], it applies coordinatewise to the compactly supported cutoff integrals below.

[A1]

The Axiom of Choice: AC is inherited through [F1]–[F7]; all local cutoff limits use the fixed radii R∈N.

Proof

Given: The assumptions above.

1.1A1F1F4F5F6given

Write z=(q,p) and b(q,p)=(M−1p,−∇V(q)−γp). The bounded Hessian makes b globally Lipschitz with linear growth. By [F5], the phase-space Lebesgue measure in the definition of Z is λd×λd on Borel sets, and Tonelli applied to the nonnegative Borel Gibbs factor gives Z=ZqZp,Zp:=∫Rde−βpTM−1p/2 dp. Applying [F6] with C=βM−1 yields Zp=(2π)d/2det⁡(βM−1)=(2π/β)d/2det⁡M, so Z is finite and positive. To verify the momentum second moment, let λ∗>0 be the smallest eigenvalue of M−1. Then pTM−1p≥λ∗∣p∣2. The function r↦re−βλ∗r/4 is bounded on [0,∞), so for a finite C∗, ∣p∣2e−βpTM−1p/2≤C∗e−βλ∗∣p∣2/4. The right side has finite integral by [F6] with C=(βλ∗/2)I. Tonelli now gives Eμ∣P0∣2<∞, while the stated q-moment assumption gives Eμ∣Q0∣2<∞. Thus the Gibbs initial state is square-integrable. With the F0-measurability and future-increment independence in the Statement, [F1] gives a unique global strong solution. Since the coefficients are time-independent, the law of the state after duration t depends only on the starting state and elapsed time; write its transition operator as Ptϕ(z)=Ezϕ(Qt,Pt). For ϕ(z)=cos⁡(u⋅z) or sin⁡(u⋅z), the solution map is twice differentiable in its initial state: its first derivative Jt solves J˙t=Db(Zt)Jt, J0=I, hence ∥Jt∥≤et∥Db∥∞; its second derivative solves the corresponding variation equation with forcing D2b(Zt)[Jt,Jt] and is bounded on every finite interval because D2b is bounded. Difference quotients in the integral equation and these bounds justify differentiating under expectation, so Ptϕ and its first two spatial derivatives are bounded and continuous.

2.1A1F1F2F4givenstep 1.1

Uniqueness of the strong solution and independence of future Brownian increments give Pt+s=PsPt. Apply [F2] to g=Ptϕ over a short interval s: (Psg−g)/s→Lg as s↓0, where [A1, F1, F2, F4, given, step 1.1] Lg=(M−1p)⋅∇qg+(−∇V−γp)⋅∇pg+γβ−1tr⁡(MDpp2g). Continuity of Lg and the finite second-moment bound in [F1] give this limit. Hence ∂tPtϕ=LPtϕ; the right side is integrable against μ because the derivatives of Ptϕ are bounded, p has Gaussian tails, and the stated q integrability controls ∇V.

3.1givenstep 2.1algebra

For the generator L in step 2.1, the Gibbs density ρ=Z−1e−βH has derivatives ∇qρ=−β∇Vρ and ∇pρ=−βM−1pρ. Its formal adjoint is [given, step 2.1, algebra] L∗ρ=−∇q⋅(M−1pρ)−∇p⋅((−∇V−γp)ρ)+γβ−1tr⁡(MDpp2ρ). The q-transport term equals β(M−1p⋅∇V)ρ and the force part of the p-divergence equals −β(∇V⋅M−1p)ρ, so they cancel. The friction part is γdρ−γβ(pTM−1p)ρ. Direct differentiation gives tr⁡(MDpp2ρ)=(β2pTM−1p−βd)ρ, so diffusion cancels friction and L∗ρ=0.

4.1F4F5F7givenstep 2.1step 3.1algebra

Define s(x)=0 for x≤0 and s(x)=e−1/x for x>0, then η(r)=s(2−r)/(s(2−r)+s(r−1)). This smooth function equals one for r≤1, zero for r≥2, and has bounded first and second derivatives; every right derivative of s tends to zero at the origin. The product cutoffs χR(q,p)=η(∣q∣/R)η(∣p∣/R) are smooth because each factor is constant near its origin; they equal one when ∣q∣,∣p∣≤R, vanish when either norm is at least 2R, and satisfy ∣∇χR∣≤C/R, ∣D2χR∣≤C/R2. For g=Ptϕ, multiply the divergence terms by χR and integrate by parts coordinatewise using [F7]; product-measure integration is justified by [F5]. The q-cutoff boundary term is bounded by C∣p∣/R times the Gibbs density; the p-cutoff terms are bounded by C(1+∣∇V(q)∣+∣p∣)/R times that density, with second-derivative cutoff terms bounded by C/R2. These bounds are integrable by Gaussian p tails and the hypotheses on q and ∇V. Dominated convergence and step 3.1 therefore give ∫Lg dμ=∫gL∗ρ dq dp=0. By step 2.1, t↦∫Ptϕ dμ has derivative zero and is constant.

5.1A1F3givenstep 4.1∎

Apply step 4.1 to ϕ(z)=cos⁡(u⋅z) and sin⁡(u⋅z) for arbitrary u∈R2d. The resulting scalar characteristic functions of projections of μPt and μ agree; [F3] and the Cramér–Wold device identify the phase-space laws. Thus μPt=μ for every t≥0. AC is inherited through [A1].

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