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Rényi mixing bounds for kinetic samplers via L2L^2 hypocoercivity

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Abstract

We study convergence in Rényi divergence of order two for underdamped Langevin dynamics, the bouncy particle sampler, and the Zigzag sampler, for a target e−Ue^{-U} on Rd\mathbb R^d that satisfies a logarithmic Sobolev inequality, with ∇2U\nabla^2U bounded below by a possibly negative constant and, for the Zigzag sampler, also bounded above. For initial laws whose Rényi divergence from equilibrium is at most RR, we show that it decays exponentially, at a rate that depends on RR. With the friction or refreshment rate chosen according to RR, the time needed to reach a fixed accuracy in total variation or in Rényi divergence is of order Rlog⁡R\sqrt{R\log R} at fixed dimension and target parameters, improving the linear dependence obtained by directly converting exponential L2L^2 decay. The key idea is to use the logarithmic Sobolev inequality for the position target in place of the usual spatial spectral-gap estimate in the L2L^2 hypocoercivity argument. For the bouncy particle and Zigzag samplers, this order is sharp for the Rényi divergence on a one-dimensional Gaussian target, uniformly in the refreshment rate. For the Zigzag sampler in dimension at least two, Gaussian examples show that the mixing-time bound is sharp up to logarithmic factors in the worst case over strongly convex targets, in both the initial divergence and the upper Hessian bound; in particular, strong convexity alone does not give a uniform mixing bound.

Introduction and main results

We develop a general approach to establish quantitative convergence in Rényi divergence of order two, and apply it to three kinetic samplers: underdamped Langevin dynamics (ULD) [12], the bouncy particle sampler (BPS) [10], and the Zigzag sampler (ZZ) [6]. We assume that the target measure satisfies a logarithmic Sobolev inequality (LSI) and that its potential has a finite Hessian lower bound, which may be negative. ZZ also requires an upper Hessian bound, which BPS uses when it is available. For an initial law whose Rényi-2 divergence from equilibrium is at most RR, we prove exponential decay of this divergence at a rate depending on RR. With the friction or refreshment rate chosen according to RR and the target accuracy, the time needed to reach a fixed accuracy, in total variation or in Rényi-2 divergence, is of order Rlog⁡R\sqrt{R\log R} at fixed dimension and target parameters.

Hypocoercivity estimates give exponential convergence in L2L^2 for all three samplers [3, 11, 20, 29]. Converted directly, such estimates give mixing times linear in the initial divergence, because the

2020 Mathematics Subject Classification. Primary 65C05; Secondary 60J25, 35Q84, 35B40, 47D07.

Key words and phrases. Hypocoercivity, Rényi divergence, kinetic sampling, logarithmic Sobolev inequality, bouncy particle sampler, Zigzag process.

This work was partially supported by the National Science Foundation under grant DMS-2309378. We thank Sinho Chewi for helpful discussions. χ2\chi^2 divergence is exponentially large in the Rényi-2 divergence. Under the LSI, we reduce the linear dependence to Rlog⁡R\sqrt{R\log R}. For ZZ in dimension d≥2d \ge2, we also show that the mixing-time bound cannot be improved by more than logarithmic factors in the worst case over strongly convex targets, in both the initial divergence and the upper Hessian bound, uniformly in the refreshment rate.

Throughout, we assume U∈C2(Rd)U \in C^2(\mathbb{R}^d), with U(x)→∞U(x) \to\infty as ∣x∣→∞|x| \to\infty and ∫e−U dx<∞\int e^{-U}\,dx < \infty. The Hessian lower and upper bounds are denoted by α\alpha and β\beta:

αId⪯∇2U(x)⪯βId,x∈Rd.(1)\alpha I_d \preceq\nabla^2 U(x) \preceq\beta I_d,\qquad x \in\mathbb{R}^d. \tag*{(1)}

The lower bound α\alpha may be negative. The convention β=+∞\beta= +\infty means that no finite upper Hessian bound is imposed. We write z+=max⁡{z,0}z_+ = \max\{z,0\}, so that (−α)+(-\alpha)_+ measures the allowed negative curvature.

The position target and the joint equilibrium measure are

μx(dx)∝e−U(x) dx,μ=μx⊗μv,μv=N(0,Id).\mu_x(dx) \propto e^{-U(x)}\,dx,\qquad\mu= \mu_x \otimes\mu_v,\qquad\mu_v = N(0,I_d).

We assume that μx\mu_x satisfies the LSI with constant CLSI>0C_{\mathrm{LSI}} > 0:

Ent⁡μx(h2)≤2CLSI∥∇xh∥L2(μx)2.(2)\operatorname{Ent}_{\mu_x}(h^2) \le\frac{2}{C_{\mathrm{LSI}}}\|\nabla_x h\|_{L^2(\mu_x)}^2. \tag*{(2)}

Here Ent⁡μx(h)=∫hlog⁡(h/∫h dμx) dμx\operatorname{Ent}_{\mu_x}(h) = \int h\log(h/\int h\,d\mu_x)\,d\mu_x for nonnegative hh. The LSI implies the Poincaré inequality with the same constant CLSIC_{\mathrm{LSI}}. If α>0\alpha> 0, strong convexity gives (1.2) with CLSI=αC_{\mathrm{LSI}} = \alpha by the Bakry–Émery criterion [4]; see also [5 Proposition 5.7.1]. We keep CLSIC_{\mathrm{LSI}} separate from α\alpha, since the LSI can hold when the available Hessian lower bound is zero or negative.

ULD couples Hamiltonian transport to friction and noise in the velocity. BPS and ZZ are piecewise deterministic Markov processes (PDMPs) whose position moves at constant velocity between velocity jumps: bounces for BPS, coordinate flips for ZZ, and refreshments for both. Let Πvh(x)=∫h(x,v) dμv(v)\Pi_v h(x) = \int h(x,v)\,d\mu_v(v) denote velocity averaging, and write γ>0\gamma> 0 for the friction in ULD and the refreshment rate in BPS and ZZ. For a test function h∈Cc∞(R2d)h \in C_c^\infty(\mathbb{R}^{2d}), the three generators are

Lh=(v⋅∇x−∇U⋅∇v)h+γ(Δvh−v⋅∇vh)(3)\mathcal{L}h = (v \cdot\nabla_x - \nabla U \cdot\nabla_v)h + \gamma(\Delta_v h - v \cdot\nabla_v h) \tag*{(3)}

(ULD),

Lh=v⋅∇xh+(v⋅∇U)+[h(x,Rxv)−h(x,v)]+γ(Πvh−h)(4)\mathcal{L}h = v \cdot\nabla_x h + (v \cdot\nabla U)_+[h(x,R_xv) - h(x,v)] + \gamma(\Pi_v h - h) \tag*{(4)}

(BPS),

Lh=v⋅∇xh+∑i=1d(vi∂xiU)+[h(x,Fiv)−h(x,v)]+γ(Πvh−h)(5)\mathcal{L}h = v \cdot\nabla_x h + \sum_{i=1}^{d}(v_i\partial_{x_i}U)_+[h(x,F_i v) - h(x,v)] + \gamma(\Pi_v h - h) \tag*{(5)}

(ZZ).

Here Rxv=v−2(v⋅n)nR_xv = v - 2(v \cdot n)n reflects vv across the hyperplane orthogonal to n=∇U/∣∇U∣n = \nabla U/|\nabla U|. At critical points of UU, choose any unit vector for nn; the bounce rate is zero there. The map Fiv=v−2vieiF_i v = v - 2v_i e_i flips the iith velocity coordinate. In both PDMPs, the last term redraws the entire velocity from μv\mu_v at rate γ\gamma.

Under the assumptions above, the three dynamics are well posed and preserve μ\mu. Let Pt=etL\mathcal{P}_t = e^{t\mathcal{L}} denote the Markov semigroup of each dynamics, and let ∗* denote the adjoint in L2(μ)L^2(\mu). Both Pt\mathcal{P}_t and Pt∗\mathcal{P}_t^* are strongly continuous contractions on L2(μ)L^2(\mu) that preserve positivity, constants, and integrals against μ\mu. We write ρt\rho_t for the law of the process at time tt.

For a probability measure ϱ≪μ\varrho\ll\mu, the Rényi divergence of order two is

R2(ϱ∣μ)=log⁡(∫(dϱdμ)2dμ)=log⁡(1+χ2(ϱ∣μ)),(6)R_2(\varrho\mid\mu)=\log\left(\int\left(\frac{\mathrm{d}\varrho}{\mathrm{d}\mu}\right)^2\mathrm{d}\mu\right)=\log(1+\chi^2(\varrho\mid\mu)), \tag*{(6)}

where χ2(ϱ∣μ)=∥dϱdμ−1∥L2(μ)2\chi^2(\varrho\mid\mu)=\left\|\frac{\mathrm{d}\varrho}{\mathrm{d}\mu}-1\right\|_{L^2(\mu)}^2 is the χ2\chi^2 divergence. We measure sampling accuracy by the total variation distance

TV⁡(ϱ,μ)=12∫∣dϱdμ−1∣dμ.\operatorname{TV}(\varrho,\mu)=\frac{1}{2}\int\left|\frac{\mathrm{d}\varrho}{\mathrm{d}\mu}-1\right|\mathrm{d}\mu.

By Jensen’s inequality, R2R_2 bounds the Kullback–Leibler divergence. Pinsker’s inequality therefore gives

TV⁡(ϱ,μ)2≤12R2(ϱ∣μ).(7)\operatorname{TV}(\varrho,\mu)^2\leq\frac{1}{2}R_2(\varrho\mid\mu). \tag*{(7)}

Theorem 1.1 (Exponential decay of Rényi-2 divergence). Assume (2) and (1) with α∈R\alpha\in\mathbb{R}, where β=+∞\beta=+\infty is allowed for ULD and BPS and β<∞\beta<\infty is required for ZZ. Let ϱt\varrho_t be the law at time tt of ULD, BPS, or ZZ with friction or refreshment rate γ>0\gamma>0, and let R≥0R\geq0 satisfy R2(ϱ0∣μ)≤RR_2(\varrho_0\mid\mu)\leq R. Then, for every t≥0t\geq0,

R2(ϱt∣μ)≤3e−ΛtR2(ϱ0∣μ),(8)R_2(\varrho_t\mid\mu)\leq3e^{-\Lambda t}R_2(\varrho_0\mid\mu), \tag*{(8)}

where

Λ=2CLSIγ9[γ2+(−α)++3CLSI(1+R)](9)\Lambda=\frac{2C_{\mathrm{LSI}}\gamma}{9[\gamma^2+(-\alpha)_++3C_{\mathrm{LSI}}(1+R)]} \tag*{(9)}

for ULD;

Λ=2CLSIγ900[γ2+min⁡{d[CLSI(1+R)+(−α)+],CLSI(1+R)+(−α)++βd}](10)\Lambda=\frac{2C_{\mathrm{LSI}}\gamma}{900[\gamma^2+\min\{d[C_{\mathrm{LSI}}(1+R)+(-\alpha)_+],C_{\mathrm{LSI}}(1+R)+(-\alpha)_++\beta d\}]} \tag*{(10)}

for BPS;

Λ=2CLSIγ900[γ2+β+(−α)++CLSI(1+R)](11)\Lambda=\frac{2C_{\mathrm{LSI}}\gamma}{900[\gamma^2+\beta+(-\alpha)_++C_{\mathrm{LSI}}(1+R)]} \tag*{(11)}

for ZZ.

The LSI is used only in the nonlinear spatial resolvent estimate, Proposition 3.4, and negative curvature enters only through (−α)+(-\alpha)_+, which vanishes when α≥0\alpha\geq0. The minimum in (10) selects the better of two bounds for the BPS cross term. One uses only the lower Hessian bound and produces the β\beta-free entry d[CLSI(1+R)+(−α)+]d[C_{\mathrm{LSI}}(1+R)+(-\alpha)_+], with a dimension factor. The other uses a finite upper Hessian bound and produces the entry CLSI(1+R)+(−α)++βdC_{\mathrm{LSI}}(1+R)+(-\alpha)_++\beta d. When β=+∞\beta=+\infty, the minimum reduces to d[CLSI(1+R)+(−α)+]d[C_{\mathrm{LSI}}(1+R)+(-\alpha)_+]. The ZZ rate has no dimension factor.

For δ>0\delta>0, the total variation mixing time is

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