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 R R R , we prove exponential decay of this divergence at a rate depending on R R R . With the friction or refreshment rate chosen according to R R R and the target accuracy, the time needed to reach a fixed accuracy, in total variation or in Rényi-2 divergence, is of order R log R \sqrt{R\log R} R log R at fixed dimension and target parameters.
Hypocoercivity estimates give exponential convergence in L 2 L^2 L 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. χ 2 \chi^2 χ 2 divergence is exponentially large in the Rényi-2 divergence. Under the LSI, we reduce the linear dependence to R log R \sqrt{R\log R} R log R . For ZZ in dimension d ≥ 2 d \ge2 d ≥ 2 , 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 ∈ C 2 ( R d ) U \in C^2(\mathbb{R}^d) U ∈ C 2 ( R d ) , with U ( x ) → ∞ U(x) \to\infty U ( x ) → ∞ as ∣ x ∣ → ∞ |x| \to\infty ∣ x ∣ → ∞ and ∫ e − U d x < ∞ \int e^{-U}\,dx < \infty ∫ e − U d x < ∞ . The Hessian lower and upper bounds are denoted by α \alpha α and β \beta β :
α I d ⪯ ∇ 2 U ( x ) ⪯ β I d , x ∈ R d . (1) \alpha I_d \preceq\nabla^2 U(x) \preceq\beta I_d,\qquad x \in\mathbb{R}^d. \tag*{(1)} α I d ⪯ ∇ 2 U ( x ) ⪯ β I d , x ∈ R d . (1)
The lower bound α \alpha α may be negative. The convention β = + ∞ \beta= +\infty β = + ∞ means that no finite upper Hessian bound is imposed. We write z + = max { z , 0 } z_+ = \max\{z,0\} z + = max { z , 0 } , so that ( − α ) + (-\alpha)_+ ( − α ) + measures the allowed negative curvature.
The position target and the joint equilibrium measure are
μ x ( d x ) ∝ e − U ( x ) d x , μ = μ x ⊗ μ v , μ v = N ( 0 , I d ) . \mu_x(dx) \propto e^{-U(x)}\,dx,\qquad\mu= \mu_x \otimes\mu_v,\qquad\mu_v = N(0,I_d). μ x ( d x ) ∝ e − U ( x ) d x , μ = μ x ⊗ μ v , μ v = N ( 0 , I d ) .
We assume that μ x \mu_x μ x satisfies the LSI with constant C L S I > 0 C_{\mathrm{LSI}} > 0 C LSI > 0 :
Ent μ x ( h 2 ) ≤ 2 C L S I ∥ ∇ x h ∥ L 2 ( μ x ) 2 . (2) \operatorname{Ent}_{\mu_x}(h^2) \le\frac{2}{C_{\mathrm{LSI}}}\|\nabla_x h\|_{L^2(\mu_x)}^2. \tag*{(2)} Ent μ x ( h 2 ) ≤ C LSI 2 ∥ ∇ x h ∥ L 2 ( μ x ) 2 . (2)
Here Ent μ x ( h ) = ∫ h log ( h / ∫ h d μ x ) d μ x \operatorname{Ent}_{\mu_x}(h) = \int h\log(h/\int h\,d\mu_x)\,d\mu_x Ent μ x ( h ) = ∫ h log ( h / ∫ h d μ x ) d μ x for nonnegative h h h . The LSI implies the Poincaré inequality with the same constant C L S I C_{\mathrm{LSI}} C LSI . If α > 0 \alpha> 0 α > 0 , strong convexity gives (1.2) with C L S I = α C_{\mathrm{LSI}} = \alpha C LSI = α by the Bakry–Émery criterion [4 ] ; see also [5 Proposition 5.7.1] . We keep C L S I C_{\mathrm{LSI}} C LSI separate from α \alpha α , 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 Π v h ( x ) = ∫ h ( x , v ) d μ v ( v ) \Pi_v h(x) = \int h(x,v)\,d\mu_v(v) Π v h ( x ) = ∫ h ( x , v ) d μ v ( v ) denote velocity averaging, and write γ > 0 \gamma> 0 γ > 0 for the friction in ULD and the refreshment rate in BPS and ZZ. For a test function h ∈ C c ∞ ( R 2 d ) h \in C_c^\infty(\mathbb{R}^{2d}) h ∈ C c ∞ ( R 2 d ) , the three generators are
L h = ( v ⋅ ∇ x − ∇ U ⋅ ∇ v ) h + γ ( Δ v h − v ⋅ ∇ v h ) (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)} L h = ( v ⋅ ∇ x − ∇ U ⋅ ∇ v ) h + γ ( Δ v h − v ⋅ ∇ v h ) (3)
(ULD),
L h = v ⋅ ∇ x h + ( v ⋅ ∇ U ) + [ h ( x , R x v ) − h ( x , v ) ] + γ ( Π v h − 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)} L h = v ⋅ ∇ x h + ( v ⋅ ∇ U ) + [ h ( x , R x v ) − h ( x , v )] + γ ( Π v h − h ) (4)
(BPS),
L h = v ⋅ ∇ x h + ∑ i = 1 d ( v i ∂ x i U ) + [ h ( x , F i v ) − h ( x , v ) ] + γ ( Π v h − 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)} L h = v ⋅ ∇ x h + i = 1 ∑ d ( v i ∂ x i U ) + [ h ( x , F i v ) − h ( x , v )] + γ ( Π v h − h ) (5)
(ZZ).
Here R x v = v − 2 ( v ⋅ n ) n R_xv = v - 2(v \cdot n)n R x v = v − 2 ( v ⋅ n ) n reflects v v v across the hyperplane orthogonal to n = ∇ U / ∣ ∇ U ∣ n = \nabla U/|\nabla U| n = ∇ U /∣∇ U ∣ . At critical points of U U U , choose any unit vector for n n n ; the bounce rate is zero there. The map F i v = v − 2 v i e i F_i v = v - 2v_i e_i F i v = v − 2 v i e i flips the i i i th velocity coordinate. In both PDMPs, the last term redraws the entire velocity from μ v \mu_v μ v at rate γ \gamma γ .
Under the assumptions above, the three dynamics are well posed and preserve μ \mu μ . Let P t = e t L \mathcal{P}_t = e^{t\mathcal{L}} P t = e t L denote the Markov semigroup of each dynamics, and let ∗ * ∗ denote the adjoint in L 2 ( μ ) L^2(\mu) L 2 ( μ ) . Both P t \mathcal{P}_t P t and P t ∗ \mathcal{P}_t^* P t ∗ are strongly continuous contractions on L 2 ( μ ) L^2(\mu) L 2 ( μ ) that preserve positivity, constants, and integrals against μ \mu μ . We write ρ t \rho_t ρ t for the law of the process at time t t t .
For a probability measure ϱ ≪ μ \varrho\ll\mu ϱ ≪ μ , the Rényi divergence of order two is
R 2 ( ϱ ∣ μ ) = log ( ∫ ( d ϱ d μ ) 2 d μ ) = log ( 1 + χ 2 ( 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)} R 2 ( ϱ ∣ μ ) = log ( ∫ ( d μ d ϱ ) 2 d μ ) = log ( 1 + χ 2 ( ϱ ∣ μ )) , (6)
where χ 2 ( ϱ ∣ μ ) = ∥ d ϱ d μ − 1 ∥ L 2 ( μ ) 2 \chi^2(\varrho\mid\mu)=\left\|\frac{\mathrm{d}\varrho}{\mathrm{d}\mu}-1\right\|_{L^2(\mu)}^2 χ 2 ( ϱ ∣ μ ) = d μ d ϱ − 1 L 2 ( μ ) 2 is the χ 2 \chi^2 χ 2 divergence. We measure sampling accuracy by the total variation distance
TV ( ϱ , μ ) = 1 2 ∫ ∣ d ϱ d μ − 1 ∣ d μ . \operatorname{TV}(\varrho,\mu)=\frac{1}{2}\int\left|\frac{\mathrm{d}\varrho}{\mathrm{d}\mu}-1\right|\mathrm{d}\mu. TV ( ϱ , μ ) = 2 1 ∫ d μ d ϱ − 1 d μ .
By Jensen’s inequality, R 2 R_2 R 2 bounds the Kullback–Leibler divergence. Pinsker’s inequality therefore gives
TV ( ϱ , μ ) 2 ≤ 1 2 R 2 ( ϱ ∣ μ ) . (7) \operatorname{TV}(\varrho,\mu)^2\leq\frac{1}{2}R_2(\varrho\mid\mu). \tag*{(7)} TV ( ϱ , μ ) 2 ≤ 2 1 R 2 ( ϱ ∣ μ ) . (7)
Theorem 1.1 (Exponential decay of Rényi-2 divergence). Assume (2) and (1) with α ∈ R \alpha\in\mathbb{R} α ∈ R , where β = + ∞ \beta=+\infty β = + ∞ is allowed for ULD and BPS and β < ∞ \beta<\infty β < ∞ is required for ZZ. Let ϱ t \varrho_t ϱ t be the law at time t t t of ULD, BPS, or ZZ with friction or refreshment rate γ > 0 \gamma>0 γ > 0 , and let R ≥ 0 R\geq0 R ≥ 0 satisfy R 2 ( ϱ 0 ∣ μ ) ≤ R R_2(\varrho_0\mid\mu)\leq R R 2 ( ϱ 0 ∣ μ ) ≤ R . Then, for every t ≥ 0 t\geq0 t ≥ 0 ,
R 2 ( ϱ t ∣ μ ) ≤ 3 e − Λ t R 2 ( ϱ 0 ∣ μ ) , (8) R_2(\varrho_t\mid\mu)\leq3e^{-\Lambda t}R_2(\varrho_0\mid\mu), \tag*{(8)} R 2 ( ϱ t ∣ μ ) ≤ 3 e − Λ t R 2 ( ϱ 0 ∣ μ ) , (8) where
Λ = 2 C L S I γ 9 [ γ 2 + ( − α ) + + 3 C L S I ( 1 + R ) ] (9) \Lambda=\frac{2C_{\mathrm{LSI}}\gamma}{9[\gamma^2+(-\alpha)_++3C_{\mathrm{LSI}}(1+R)]} \tag*{(9)} Λ = 9 [ γ 2 + ( − α ) + + 3 C LSI ( 1 + R )] 2 C LSI γ (9) for ULD;
Λ = 2 C L S I γ 900 [ γ 2 + min { d [ C L S I ( 1 + R ) + ( − α ) + ] , C L S I ( 1 + R ) + ( − α ) + + β d } ] (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)} Λ = 900 [ γ 2 + min { d [ C LSI ( 1 + R ) + ( − α ) + ] , C LSI ( 1 + R ) + ( − α ) + + β d }] 2 C LSI γ (10) for BPS;
Λ = 2 C L S I γ 900 [ γ 2 + β + ( − α ) + + C L S I ( 1 + R ) ] (11) \Lambda=\frac{2C_{\mathrm{LSI}}\gamma}{900[\gamma^2+\beta+(-\alpha)_++C_{\mathrm{LSI}}(1+R)]} \tag*{(11)} Λ = 900 [ γ 2 + β + ( − α ) + + C LSI ( 1 + R )] 2 C LSI γ (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)_+ ( − α ) + , which vanishes when α ≥ 0 \alpha\geq0 α ≥ 0 . 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 β -free entry d [ C L S I ( 1 + R ) + ( − α ) + ] d[C_{\mathrm{LSI}}(1+R)+(-\alpha)_+] d [ C LSI ( 1 + R ) + ( − α ) + ] , with a dimension factor. The other uses a finite upper Hessian bound and produces the entry C L S I ( 1 + R ) + ( − α ) + + β d C_{\mathrm{LSI}}(1+R)+(-\alpha)_++\beta d C LSI ( 1 + R ) + ( − α ) + + β d . When β = + ∞ \beta=+\infty β = + ∞ , the minimum reduces to d [ C L S I ( 1 + R ) + ( − α ) + ] d[C_{\mathrm{LSI}}(1+R)+(-\alpha)_+] d [ C LSI ( 1 + R ) + ( − α ) + ] . The ZZ rate has no dimension factor.
For δ > 0 \delta>0 δ > 0 , the total variation mixing time is
T δ T V = inf { t ≥ 0 : TV ( ϱ t , μ ) ≤ δ } . T_\delta^{\mathrm{TV}}=\inf\{t\geq0:\operatorname{TV}(\varrho_t,\mu)\leq\delta\}. T δ TV = inf { t ≥ 0 : TV ( ϱ t , μ ) ≤ δ } .
Corollary 1.2 (Rényi-2 and total variation mixing). Under the assumptions of Theorem 1.1 , let R ≥ 1 R\geq1 R ≥ 1 satisfy R 2 ( ϱ 0 ∣ μ ) ≤ R R_2(\varrho_0\mid\mu)\leq R R 2 ( ϱ 0 ∣ μ ) ≤ R , and let 0 < η ≤ 1 / 2 0<\eta\leq1/2 0 < η ≤ 1/2 . Write L = log ( 3 R / η ) \mathcal{L}=\log(3R/\eta) L = log ( 3 R / η ) and choose
γ 2 = { 3 C L S I ( 1 + R / L ) + ( − α ) + , ULD , min { d [ C L S I ( 1 + R / L ) + ( − α ) + ] , C L S I ( 1 + R / L ) + ( − α ) + + β d } , BPS , C L S I ( 1 + R / L ) + β + ( − α ) + , ZZ . (12) \gamma^2=
\begin{cases}
3C_{\mathrm{LSI}}(1+R/\mathcal{L})+(-\alpha)_+, & \text{ULD},\\
\min\{d[C_{\mathrm{LSI}}(1+R/\mathcal{L})+(-\alpha)_+],C_{\mathrm{LSI}}(1+R/\mathcal{L})+(-\alpha)_++\beta d\}, & \text{BPS},\\
C_{\mathrm{LSI}}(1+R/\mathcal{L})+\beta+(-\alpha)_+, & \text{ZZ}.
\end{cases} \tag*{(12)} γ 2 = ⎩ ⎨ ⎧ 3 C LSI ( 1 + R / L ) + ( − α ) + , min { d [ C LSI ( 1 + R / L ) + ( − α ) + ] , C LSI ( 1 + R / L ) + ( − α ) + + β d } , C LSI ( 1 + R / L ) + β + ( − α ) + , ULD , BPS , ZZ . (12)
Then R 2 ( ϱ t ∣ μ ) ≤ η R_2(\varrho_t \mid\mu) \le\eta R 2 ( ϱ t ∣ μ ) ≤ η for every time t t t with
t ≥ L C L S I { 60 3 ( 1 + R / L ) + ( − α ) + / C L S I , U L D , 6000 min { d [ 1 + R / L + ( − α ) + / C L S I ] , 1 + R / L + [ ( − α ) + + β d ] / C L S I } , B P S , 6000 1 + R / L + [ β + ( − α ) + ] / C L S I , Z Z . (13) t \ge\frac{\mathcal{L}}{\sqrt{C_{\mathrm{LSI}}}}
\begin{cases}
60\sqrt{3(1+R/\mathcal{L})+(-\alpha)_+/C_{\mathrm{LSI}}}, & \mathrm{ULD},\\
6000\sqrt{\min\{d[1+R/\mathcal{L}+(-\alpha)_+/C_{\mathrm{LSI}}],\,1+R/\mathcal{L}+[(-\alpha)_+ + \beta d]/C_{\mathrm{LSI}}\}}, & \mathrm{BPS},\\
6000\sqrt{1+R/\mathcal{L}+[\beta+(-\alpha)_+]/C_{\mathrm{LSI}}}, & \mathrm{ZZ}.
\end{cases} \tag*{(13)} t ≥ C LSI L ⎩ ⎨ ⎧ 60 3 ( 1 + R / L ) + ( − α ) + / C LSI , 6000 min { d [ 1 + R / L + ( − α ) + / C LSI ] , 1 + R / L + [( − α ) + + β d ] / C LSI } , 6000 1 + R / L + [ β + ( − α ) + ] / C LSI , ULD , BPS , ZZ . (13)
For 0 < δ ≤ 1 / 2 0<\delta\le1/2 0 < δ ≤ 1/2 , take η = 2 δ 2 \eta=2\delta^2 η = 2 δ 2 , so that L = log [ 3 R / ( 2 δ 2 ) ] \mathcal{L}=\log[3R/(2\delta^2)] L = log [ 3 R / ( 2 δ 2 )] . Then the total variation mixing time T δ T V T_\delta^{\mathrm{TV}} T δ TV is at most the right-hand side of (13) .
The total variation bound follows from the Rényi-2 bound by (7) . By data processing, both bounds also hold for the position marginal. The numerical constants are not optimized.
The initial divergence can be large in high dimension. Suppose that 0 < α ≤ β < ∞ 0<\alpha\le\beta<\infty 0 < α ≤ β < ∞ , and let x ⋆ x_\star x ⋆ minimize U U U . For the Gaussian cold start ϱ 0 = N ( x ⋆ , β − 1 I d ) ⊗ μ v \varrho_0=N(x_\star,\beta^{-1}I_d)\otimes\mu_v ϱ 0 = N ( x ⋆ , β − 1 I d ) ⊗ μ v , the position density relative to μ x \mu_x μ x is at most ( β / α ) d / 2 (\beta/\alpha)^{d/2} ( β / α ) d /2 [18 ] , so R 2 ( ϱ 0 ∣ μ ) ≤ d 2 log ( β / α ) R_2(\varrho_0\mid\mu)\le\frac{d}{2}\log(\beta/\alpha) R 2 ( ϱ 0 ∣ μ ) ≤ 2 d log ( β / α ) . Table 1 compares the bounds of Corollary 1.2 for R ≍ d R\asymp d R ≍ d up to logarithmic factors, against the direct conversion of exponential L 2 L^2 L 2 decay and against bounds obtained by other methods. For this comparison, all rows assume that the target satisfies the LSI and that U U U is convex. The table applies to initial laws with R 2 ( ϱ 0 ∣ μ ) ≤ R R_2(\varrho_0\mid\mu)\le R R 2 ( ϱ 0 ∣ μ ) ≤ R ; the Gaussian cold start above motivates the choice of scale. Our results also allow α < 0 \alpha<0 α < 0 , with the full dependence on α \alpha α given in Corollary 1.2. § 1.1 discusses these methods and compares the resulting gradient-query complexities with earlier bounds.
Table 1. Bounds on the total variation mixing time for initial laws with R 2 ( ϱ 0 ∣ μ ) ≤ R R_2(\varrho_0\mid\mu)\leq R R 2 ( ϱ 0 ∣ μ ) ≤ R , at the scale R ≍ d R\asymp d R ≍ d , up to universal constants and logarithmic factors in the relevant parameters. The last block is a lower bound, and the others are upper bounds. All rows assume the LSI (2) and ∇ 2 U ⪰ 0 \nabla^2U\succeq0 ∇ 2 U ⪰ 0 , and technical regularity conditions on U U U in the cited results are omitted. The first block converts the exponential L 2 L^2 L 2 decay of [11 , 20 ] for ULD and of [29 Theorem 1] for BPS and ZZ, as explained after the table. The second block follows from Corollary 1.2, which also gives the full dependence on R R R and the case α < 0 \alpha<0 α < 0 . Under an upper Hessian bound, BPS satisfies the smaller of its two entries, and the entry C L S I − 1 β d C_{\mathrm{LSI}}^{-1}\sqrt{\beta d} C LSI − 1 β d absorbs a term C L S I − 1 / 2 d C_{\mathrm{LSI}}^{-1/2}\sqrt{d} C LSI − 1/2 d because C L S I ≤ β C_{\mathrm{LSI}}\leq\beta C LSI ≤ β . The third block is taken from [24 Corollary 5.5] and [26 Theorem 1.1] ; in its BPS row, the initial density relative to μ \mu μ is at most e R e^R e R , which implies R 2 ( ϱ 0 ∣ μ ) ≤ R R_2(\varrho_0\mid\mu)\leq R R 2 ( ϱ 0 ∣ μ ) ≤ R . By Corollary B.3 , some Gaussian target satisfying the assumptions of the last row, with an initial law satisfying R 2 ( ϱ 0 ∣ μ ) ≤ R R_2(\varrho_0\mid\mu)\leq R R 2 ( ϱ 0 ∣ μ ) ≤ R , has at least the mixing time shown there for every refreshment rate. Hence, for d ≥ 2 d\geq2 d ≥ 2 , the ZZ entry of the second block is sharp up to the suppressed factors.
As R → ∞ R\to\infty R → ∞ with the other parameters fixed, the bounds of Corollary 1.2 are of order C L S I − 1 / 2 R log R C_{\mathrm{LSI}}^{-1/2}\sqrt{R\log R} C LSI − 1/2 R log R , with an extra factor d \sqrt{d} d for BPS without an upper Hessian bound; negative curvature does not change this order. By comparison, an L 2 L^2 L 2 estimate χ 2 ( ϱ t ∣ μ ) ≤ C e − λ t χ 2 ( ϱ 0 ∣ μ ) \chi^2(\varrho_t\mid\mu)\le Ce^{-\lambda t}\chi^2(\varrho_0\mid\mu) χ 2 ( ϱ t ∣ μ ) ≤ C e − λ t χ 2 ( ϱ 0 ∣ μ ) gives
R 2 ( ϱ t ∣ μ ) ≤ log [ 1 + C e − λ t ( e R 2 ( ϱ 0 ∣ μ ) − 1 ) ] . R_2(\varrho_t\mid\mu)\le\log\left[1+Ce^{-\lambda t}\left(e^{R_2(\varrho_0\mid\mu)}-1\right)\right]. R 2 ( ϱ t ∣ μ ) ≤ log [ 1 + C e − λ t ( e R 2 ( ϱ 0 ∣ μ ) − 1 ) ] .
which guarantees a fixed accuracy only after a time of order ( R + log C ) / λ (R+\log C)/\lambda ( R + log C ) / λ . The rate λ \lambda λ does not depend on the initial law, so optimizing it over the friction or refreshment rate still leaves this time linear in R R R . The first block of Table 1 records this time, at R ≍ d R\asymp d R ≍ d , for the optimized L 2 L^2 L 2 rates of [11 , 20 , 29 ] , which are of order C L S I \sqrt{C_{\mathrm{LSI}}} C LSI for ULD, C L S I / d \sqrt{C_{\mathrm{LSI}}/d} C LSI / d for BPS, and C L S I / β C_{\mathrm{LSI}}/\sqrt{\beta} C LSI / β for ZZ, with the Poincaré constant replaced by C L S I C_{\mathrm{LSI}} C LSI . These L 2 L^2 L 2 results use the Poincaré inequality in place of the LSI. The PDMP rates in [29 ] are stated under a compactness condition on μ x \mu_x μ x that does not enter them. A single application of Theorem 1.1 , with γ \gamma γ optimized for R R R , already gives order C L S I − 1 / 2 R log R C_{\mathrm{LSI}}^{-1/2}\sqrt{R\log R} C LSI − 1/2 R log R . The proof of Corollary 1.2 applies the theorem in stages, halving the divergence bound at each stage, and removes a further factor log R \sqrt{\log R} log R .
Following Fan, Li, and Lu [20 ] , we add to the quadratic energy a small multiple of a shifted corrector, whose time derivative dissipates the spatial component of the density through a macroscopic dissipation. A Poincaré inequality bounds this dissipation below by a multiple of the squared norm, which gives exponential χ 2 \chi^2 χ 2 decay and hence mixing times linear in R R R . Our main new estimate is a nonlinear lower bound on the macroscopic dissipation, obtained by applying the LSI to a smoothed position density; it controls the position marginal on the logarithmic scale of the Rényi-2 divergence. Choosing the shift to be C L S I ( 1 + R ) C_{\mathrm{LSI}}(1+R) C LSI ( 1 + R ) increases the uniform denominator
bound by only a constant factor compared with zero shift. This larger shift admits a larger corrector weight, which raises the rate from order C L S I / R \sqrt{C_{\mathrm{LSI}}}/R C LSI / R to order C L S I / R \sqrt{C_{\mathrm{LSI}}/R} C LSI / R . The velocity dissipation controls the gap between the joint density and its position marginal.
Theorem 1.3 (Sharpness for the Rényi-2 divergence). Let d = 1 d=1 d = 1 and α > 0 \alpha>0 α > 0 , set U ( x ) = α x 2 / 2 U(x)=\alpha x^2/2 U ( x ) = α x 2 /2 on R \mathbb{R} R , and write μ = N ( 0 , α − 1 ) ⊗ N ( 0 , 1 ) \mu=N(0,\alpha^{-1})\otimes N(0,1) μ = N ( 0 , α − 1 ) ⊗ N ( 0 , 1 ) . For every R ≥ e 8 R\ge e^8 R ≥ e 8 , there exists a probability law ϱ 0 \varrho_0 ϱ 0 with R 2 ( ϱ 0 ∣ μ ) = R R_2(\varrho_0\mid\mu)=R R 2 ( ϱ 0 ∣ μ ) = R such that, for BPS and ZZ with every refreshment rate γ > 0 \gamma>0 γ > 0 ,
R 2 ( ϱ t ∣ μ ) > 1 2 for all 0 ≤ t < 1 16 α R log R . (14) R_2(\varrho_t\mid\mu)>\frac{1}{2}\qquad\text{for all }0\le t<\frac{1}{16\sqrt{\alpha}}\sqrt{R\log R}. \tag*{(14)} R 2 ( ϱ t ∣ μ ) > 2 1 for all 0 ≤ t < 16 α 1 R log R . (14)
With C L S I = α C_{\mathrm{LSI}}=\alpha C LSI = α and d = 1 d=1 d = 1 , Corollary 1.2 with η = 1 / 2 \eta=1/2 η = 1/2 gives R 2 ( ϱ t ∣ μ ) ≤ 1 / 2 R_2(\varrho_t\mid\mu)\le1/2 R 2 ( ϱ t ∣ μ ) ≤ 1/2 after a time of order α − 1 / 2 R log R \alpha^{-1/2}\sqrt{R\log R} α − 1/2 R log R , so this order is sharp. Theorem 1.3 also limits the decay rate. If R 2 ( ϱ t ∣ μ ) ≤ 3 e − Λ t R R_2(\varrho_t\mid\mu)\le3e^{-\Lambda t}R R 2 ( ϱ t ∣ μ ) ≤ 3 e − Λ t R for all t ≥ 0 t\ge0 t ≥ 0 , as in (8) , then evaluating at t = log ( 6 R ) / Λ t=\log(6R)/\Lambda t = log ( 6 R ) /Λ gives
Λ ≤ 16 α log ( 6 R ) R log R . \Lambda\le\frac{16\sqrt{\alpha}\log(6R)}{\sqrt{R\log R}}. Λ ≤ R log R 16 α log ( 6 R ) .
For this target, optimizing γ \gamma γ in (10) and (11) gives rates of order α / R \sqrt{\alpha/R} α / R . Hence no refreshment rate improves the optimized rate of Theorem 1.1 by more than a factor of order log R \sqrt{\log R} log R . The obstruction is specific to velocity jumps. Bounces and flips preserve the speed ∣ v ∣ |v| ∣ v ∣ , so slow refreshment leaves the initial speed distribution in place, while frequent refreshment slows the return from a distant initial position. The proof is in Appendix § 5 .
For ZZ in dimension d ≥ 2 d\ge2 d ≥ 2 ,1 the bound of Corollary 1.2 is sharp up to logarithmic factors in the worst case over strongly convex targets and initial laws with R 2 ( ϱ 0 ∣ μ ) ≤ R R_2(\varrho_0\mid\mu)\le R R 2 ( ϱ 0 ∣ μ ) ≤ R , in both the initial divergence and the upper Hessian bound. This concerns the whole class of such initial laws, not the Gaussian cold start specifically. Appendix B proves the sharpness with two Gaussian examples, each uniform in the refreshment rate.
In the first, Theorem B.1 , the target is isotropic and the initial law is displaced by R / C L S I \sqrt{R/C_{\mathrm{LSI}}} R / C LSI along a coordinate axis. Flips preserve the absolute value of each velocity coordinate, so each position coordinate moves at bounded mean speed, and the total variation distance stays above 1 / 4 1/4 1/4 for a time of order R / C L S I \sqrt{R/C_{\mathrm{LSI}}} R / C LSI .
The second result, Theorem B.2 , addresses the dependence on β \beta β . It exploits the coordinatewise design of ZZ, in which each event reverses a single velocity coordinate at a rate set by the corresponding partial derivative of U U U . The targets are two-dimensional Gaussians with C L S I = 1 C_{\mathrm{LSI}}=1 C LSI = 1 , increasingly confined in the direction of x 1 − x 2 x_1-x_2 x 1 − x 2 , which is oblique to the coordinate axes. Both partial derivatives of U U U then grow with the confinement β \beta β . The resulting frequent flips randomize the velocity component along the valley { x 1 = x 2 } \{x_1=x_2\} { x 1 = x 2 } before the particle can travel along it. The initial laws have the same density relative to the target for every β \beta β , so their initial divergences do not depend on β \beta β . Nevertheless, the total variation distance and the Rényi-2 divergence stay above half their initial values for a time of order β / log ( e β ) \sqrt{\beta}/\log(e\beta) β / log ( e β ) , uniformly in the refreshment rate. This matches the term C L S I − 1 β C_{\mathrm{LSI}}^{-1}\sqrt{\beta} C LSI − 1 β in (13) up to the logarithm. Corollary B.3 combines the two examples into a lower bound on the ZZ mixing time, which shows that the ZZ entry of Corollary 1.2 in Table 1 cannot be improved by more than logarithmic factors. Since this lower bound is unbounded in β \beta β , strong convexity alone gives no uniform ZZ bound. BPS avoids this obstruction: for this family, the β \beta β -free entry of (10) gives a BPS bound uniform in the confinement. Heuristically, a bounce reflects the velocity across ∇ U \nabla U ∇ U instead of reversing a single coordinate. When the confinement is strong, ∇ U \nabla U ∇ U is nearly orthogonal to the valley on most of the target, so a bounce nearly preserves the velocity component along the valley.
Related works
ULD underlies several discretized sampling algorithms; see, for example, [2 , 12 ] and the book [13 ] . The event-driven bounce mechanism of BPS originated with Peters and de With [31 ] and was developed into the BPS framework by Bouchard-Côté, Vollmer, and Doucet [10 ] . A one-dimensional Zigzag process arose as a scaling limit of lifted Metropolis–Hastings chains for the Curie–Weiss model [8 ] , and Bierkens, Fearnhead, and Roberts [6 ] developed the Zigzag process as a general-purpose sampler. Both belong to the broader class of PDMP Monte Carlo methods surveyed in [21 ] . Harris-type arguments establish geometric ergodicity of BPS and ZZ under tail and curvature conditions [9 , 14 , 17 ] . Bierkens, Kamatani, and Roberts [7 ] study the contrasting behavior of BPS and ZZ on anisotropic Gaussian targets through scaling limits.
In kinetic samplers, the position follows a velocity that is randomized only gradually, so on short time scales it moves ballistically rather than diffusively. This persistent motion can accelerate convergence. For convex potentials, ULD with optimized friction converges in L 2 L^2 L 2 at a rate of order C P \sqrt{C_{\mathrm{P}}} C P , where C P C_{\mathrm{P}} C P is the Poincaré constant of μ x \mu_x μ x , whereas the overdamped Langevin diffusion converges at rate C P C_{\mathrm{P}} C P [11 , 20 ] . Hypocoercivity explains how Hamiltonian transport turns velocity dissipation into convergence in position. Villani [32 ] developed a general theory of hypocoercivity for kinetic equations. Dolbeault, Mouhot, and Schmeiser [15 , 16 ] introduced the modified L 2 L^2 L 2 method. Grothaus and Stilgenbauer [22 ] gave a rigorous operator treatment for Langevin dynamics, and Andrieu, Durmus, Nüsken, and Roussel [3 ] developed modified L 2 L^2 L 2 hypocoercivity for a broad class of velocity-jump samplers. Fan, Li, and Lu [20 ] developed the shifted corrector under a Poincaré inequality of μ x \mu_x μ x and a Hessian lower bound. At zero shift, optimizing the friction recovers the sharp square-root dependence of the rate on the Poincaré constant for convex potentials. Their framework is the starting point for our argument.
A complementary route to L 2 L^2 L 2 hypocoercivity uses space-time Poincaré inequalities. Cao, Lu, and Wang [11 ] obtained explicit L 2 L^2 L 2 rates for ULD. Lu and Wang [29 ] obtained such rates for randomized Hamiltonian Monte Carlo, BPS, and ZZ. From the lifting viewpoint, Eberle and Lörler [19 ] interpret BPS and ZZ as nonreversible lifts and show that any second-order lift can improve the relaxation time by at most a square-root factor. All these results give quantitative L 2 L^2 L 2 convergence; the improvement in our mixing bounds is relative to the direct conversion of such exponential L 2 L^2 L 2 estimates, under the additional assumption that μ x \mu_x μ x satisfies an LSI.
For ULD, Lu [25 ] established sharp hypocoercive entropy decay using the Wasserstein entropy current as a corrector. Li and Lu [24 ] developed a space-time LSI and hypocoercive hypercontractivity. For convex potentials, under an LSI of μ x \mu_x μ x and a Hessian lower bound, they obtain exponential decay of every Rènyi order q > 1 q>1 q > 1 , with constants independent of the initial law. At fixed accuracy, their mixing-time bound grows logarithmically with the initial divergence, better than our R log R \sqrt{R\log R} R log R dependence where both results apply. Our argument also applies to BPS and ZZ, for which logarithmic dependence on the initial divergence is impossible, uniformly in the refreshment rate. Theorem 1.3 rules it out for the time at which the Rényi-2 divergence falls below 1 / 2 1/2 1/2 . Theorem B.1 rules it out for the total variation mixing time of ZZ in every dimension and of BPS in dimension one.
For PDMPs, Monmarché and Wang [30, Theorem 2] show that BPS and ZZ admit no uniform multiplicative contraction of the KL divergence over the initial laws whose KL divergence lies below a fixed positive level, even for a standard Gaussian target. Their theorem covers standard Gaussian velocities. Our estimates require a finite bound R R R on the initial Rényi-2 divergence, equivalently an L 2 L^2 L 2 relative density, and allow the rate to depend on R R R . Since a KL bound does not control R 2 R_2 R 2 , this stronger condition on the initial law is consistent with their obstruction.
In a companion paper [26 ] , we study relative entropy decay for BPS with strongly convex and smooth potentials, using the Wasserstein entropy current of Lu [25 ] as a corrector. For initial laws with density bounded by M M M relative to μ \mu μ , we obtain an exponentially decaying entropy estimate with an additive remainder, at a rate depending logarithmically on M M M and on the size of the remainder. The density bound assumption gives R 2 ( ϱ 0 ∣ μ ) ≤ log M R_2(\varrho_0 \mid\mu) \le\log M R 2 ( ϱ 0 ∣ μ ) ≤ log M , so this condition on the initial law is also consistent with the obstruction of Monmarché and Wang.
Where both results apply, the companion bound has a better dependence on the dimension and the condition number; see the BPS row of the entropy hypocoercivity block in Table 1 . The dimension enters its rate additively, alongside log M \log M log M , and the condition number only logarithmically. In (10) , by contrast, the dimension multiplies the divergence term or enters through β d \beta d β d . For the Gaussian cold start, this difference appears in the query complexities discussed below. In the initial divergence alone, with R = log M R=\log M R = log M , the companion bound is larger by a factor log R \sqrt{\log R} log R , and it requires a bounded initial density rather than a finite Rényi-2 divergence. The Rényi-2 route taken here is thus less sharp for BPS in the dimension and the condition number, but it rests on a different argument. It upgrades the L 2 L^2 L 2 hypocoercivity estimate through a single nonlinear spatial resolvent estimate, Proposition 3.4 . It therefore covers ULD, ZZ, and nonconvex potentials satisfying an LSI, and it should apply to other dynamics for which the modified L 2 L^2 L 2 estimate is available.
The size of the initial divergence is a recurring issue in the complexity of sampling. Warm-start analyses of the Metropolis-adjusted Langevin algorithm assume a bound on it [18 , 33 ] , and Altschuler and Chewi [1 ] construct Rényi warm starts algorithmically using discretized ULD. For ZZ, Lu and Wang [28 ] bound the query complexity under a warm-start assumption. Our bounds concern mixing in continuous time. Lu and Luo [27 ] simulate BPS and ZZ exactly by windowed thinning, with an expected number of gradient queries proportional to the time horizon. Combining their analysis with Corollary 1.2, for 0 < α ≤ β < ∞ 0 < \alpha\le\beta< \infty 0 < α ≤ β < ∞ and κ = β / α \kappa=\beta/\alpha κ = β / α , the Gaussian cold start reaches total variation accuracy δ \delta δ with O ~ ( min { κ 1 / 2 d 3 / 2 , κ d } ) \widetilde{O}(\min\{\kappa^{1/2}d^{3/2},\kappa d\}) O ( min { κ 1/2 d 3/2 , κ d }) gradient queries for BPS and O ~ ( κ 1 / 2 d 3 / 4 + κ d 1 / 4 ) \widetilde{O}(\kappa^{1/2}d^{3/4}+\kappa d^{1/4}) O ( κ 1/2 d 3/4 + κ d 1/4 ) full-gradient equivalents for ZZ, counting d d d coordinate-partial queries as one. Here O ~ \widetilde{O} O suppresses logarithmic factors in d d d , κ \kappa κ , and 1 / δ 1/\delta 1/ δ . These improve the bounds O ~ ( κ 1 / 2 d 2 ) \widetilde{O}(\kappa^{1/2}d^2) O ( κ 1/2 d 2 ) and O ~ ( κ d 5 / 4 ) \widetilde{O}(\kappa d^{5/4}) O ( κ d 5/4 ) obtained in [27 ] . For BPS under the same assumptions, the entropy estimate of the companion paper [26 ] gives the smaller bound O ~ ( κ 1 / 2 d ) \widetilde{O}(\kappa^{1/2}d) O ( κ 1/2 d ) .
Organization
Organization. Section 2 sets up the relative densities and recalls the shifted corrector and the modified energy. Section 3 establishes the dissipation of the modified energy and the nonlinear spatial resolvent estimate, and ends with the sampler-specific calculations. Section 4 proves Theorem 1.1 and Corollary 1.2. Appendix A proves Theorem 1.3, and Appendix B proves the lower bounds that show the ZZ bound to be sharp up to logarithmic factors.
AI Usage
AI Usage. During our project to improve the cold-start query complexity estimate of [27 ] , which led to the entropy estimate in [26 ] , our interaction with ChatGPT 6 Astra led to the observation that a Rényi-2 contraction estimate could improve the query complexity estimate of BPS. After checking the AI output, whose argument was rather opaque, the authors realized the underlying mechanism: the L 2 L^2 L 2 hypocoercivity estimate can be upgraded by applying the LSI to the position marginal, rather than simply using coercivity. The authors then wrote the simplified proof based on their understanding, extended it to other kinetic sampling processes, and prepared the manuscript. The authors take full responsibility for its mathematical contents. Although we do not intend to submit this manuscript for publication in journals, we believe the approach of establishing better Rényi-2 convergence rate via L 2 L^2 L 2 hypocoercivity might be of general interest, and thus decide to make it available on arXiv.
Preliminaries
Unless indicated otherwise, norms and inner products are in L 2 ( μ ) L^2(\mu) L 2 ( μ ) ; on functions of x x x alone they coincide with those in L 2 ( μ x ) L^2(\mu_x) L 2 ( μ x ) . For operators acting only on position, the adjoint is taken in L 2 ( μ x ) L^2(\mu_x) L 2 ( μ x ) . We work with real functions and use Hilbert–Schmidt norms for matrices. The subscript 0 denotes the zero-mean subspace:
L 0 2 ( μ ) : = { f ∈ L 2 ( μ ) : ∫ f d μ = 0 } . (15) L^2_0(\mu) := \left\{f \in L^2(\mu) : \int f\,d\mu= 0\right\}. \tag*{(15)} L 0 2 ( μ ) := { f ∈ L 2 ( μ ) : ∫ f d μ = 0 } . (15)
We use the same convention for L 0 2 ( μ x ) L^2_0(\mu_x) L 0 2 ( μ x ) .
We identify Π v h \Pi_vh Π v h with its lift to phase space, so that Π v \Pi_v Π v is the orthogonal projection onto functions of x x x alone in L 2 ( μ ) L^2(\mu) L 2 ( μ ) . Test functions are elements of C c ∞ ( R 2 d ) C^\infty_c(\mathbb{R}^{2d}) C c ∞ ( R 2 d ) , or of C c ∞ ( R d ) C^\infty_c(\mathbb{R}^d) C c ∞ ( R d ) for functions of x x x alone. On functions of x x x alone, all three generators reduce to transport:
L Π v = ( v ⋅ ∇ x ) Π v . \mathcal{L}\Pi_v = (v\cdot\nabla_x)\Pi_v. L Π v = ( v ⋅ ∇ x ) Π v .
The overdamped generator L o = Δ x − ∇ U ⋅ ∇ x \mathcal{L}_o=\Delta_x-\nabla U\cdot\nabla_x L o = Δ x − ∇ U ⋅ ∇ x acts on functions of x x x alone. We realize − L o -\mathcal{L}_o − L o as the nonnegative self-adjoint operator associated with the closed form h ↦ ∥ ∇ x h ∥ 2 h\mapsto\|\nabla_xh\|^2 h ↦ ∥ ∇ x h ∥ 2 .
Relative densities
2.1. Relative densities. For the law ρ t \rho_t ρ t of the process at time t t t , define
f t = d ρ t d μ − 1. (16) f_t=\frac{d\rho_t}{d\mu}-1. \tag*{(16)} f t = d μ d ρ t − 1. (16)
We decompose it into its spatial component and velocity fluctuation:
f S , t = Π v f t , f F , t = ( I − Π v ) f t . (17) f_{S,t}=\Pi_vf_t,\qquad f_{F,t}=(I-\Pi_v)f_t. \tag*{(17)} f S , t = Π v f t , f F , t = ( I − Π v ) f t . (17)
Thus f t = f S , t + f F , t f_t=f_{S,t}+f_{F,t} f t = f S , t + f F , t and Π v f F , t = 0 \Pi_v f_{F,t}=0 Π v f F , t = 0 . The functions 1 + f t 1+f_t 1 + f t and 1 + f S , t 1+f_{S,t} 1 + f S , t are the relative densities of ϱ t \varrho_t ϱ t with respect to μ \mu μ and of its position marginal with respect to μ x \mu_x μ x . In particular,
f t ≥ − 1 , f S , t ≥ − 1 , ∫ f t d μ = ∫ f S , t d μ x = 0. f_t\geq-1,\qquad f_{S,t}\geq-1,\qquad\int f_t\,\mathrm{d}\mu=\int f_{S,t}\,\mathrm{d}\mu_x=0. f t ≥ − 1 , f S , t ≥ − 1 , ∫ f t d μ = ∫ f S , t d μ x = 0.
When no confusion arises, we suppress the time subscript and write f f f , f S f_S f S , f F f_F f F . For every test function h h h , invariance of μ \mu μ gives ∫ L h d μ = 0 \int\mathcal{L}h\,\mathrm{d}\mu=0 ∫ L h d μ = 0 , and hence
d d t ⟨ f t , h ⟩ = ∫ L h d ϱ t = ⟨ 1 + f t , L h ⟩ = ⟨ f t , L h ⟩ . (18) \frac{\mathrm{d}}{\mathrm{d}t}\langle f_t,h\rangle=\int\mathcal{L}h\,\mathrm{d}\varrho_t=\langle1+f_t,\mathcal{L}h\rangle=\langle f_t,\mathcal{L}h\rangle. \tag*{(18)} d t d ⟨ f t , h ⟩ = ∫ L h d ϱ t = ⟨ 1 + f t , L h ⟩ = ⟨ f t , L h ⟩ . (18)
Consequently,
∂ t f t = L ∗ f t . (19) \partial_t f_t=\mathcal{L}^*f_t. \tag*{(19)} ∂ t f t = L ∗ f t . (19)
This equation is understood in the weak sense; if f 0 ∈ D ( L ∗ ) f_0\in D(\mathcal{L}^*) f 0 ∈ D ( L ∗ ) , it holds in L 2 ( μ ) L^2(\mu) L 2 ( μ ) . The zero-mean property and orthogonality also imply
∥ 1 + f t ∥ 2 = 1 + ∥ f t ∥ 2 , ∥ 1 + f S , t ∥ 2 = 1 + ∥ f S , t ∥ 2 , ∥ f t ∥ 2 = ∥ f S , t ∥ 2 + ∥ f F , t ∥ 2 , R 2 ( ϱ t ∣ μ ) = log ( 1 + ∥ f t ∥ 2 ) . (20) \begin{aligned}
\lVert1+f_t\rVert^2&=1+\lVert f_t\rVert^2,\qquad&\lVert1+f_{S,t}\rVert^2&=1+\lVert f_{S,t}\rVert^2,\\
\lVert f_t\rVert^2&=\lVert f_{S,t}\rVert^2+\lVert f_{F,t}\rVert^2,\qquad&R_2(\varrho_t\mid\mu)&=\log(1+\lVert f_t\rVert^2). \tag*{(20)}
\end{aligned} ∥ 1 + f t ∥ 2 ∥ f t ∥ 2 = 1 + ∥ f t ∥ 2 , = ∥ f S , t ∥ 2 + ∥ f F , t ∥ 2 , ∥ 1 + f S , t ∥ 2 R 2 ( ϱ t ∣ μ ) = 1 + ∥ f S , t ∥ 2 , = log ( 1 + ∥ f t ∥ 2 ) . (20)
The shifted corrector and modified energy
The quadratic energy 1 2 ∥ f ∥ 2 \frac{1}{2}\lVert f\rVert^2 2 1 ∥ f ∥ 2 dissipates only the velocity fluctuation f F f_F f F (Lemma 3.2). A spatial perturbation is not stationary, however: transport turns the spatial gradient of f S f_S f S into a velocity fluctuation, which the velocity dynamics then dissipates. The modified L 2 L^2 L 2 method of Dolbeault, Mouhot, and Schmeiser [15 , 16 ] , which builds on ideas of Hérau [23 ] , quantifies this mechanism. It adds to 1 2 ∥ f ∥ 2 \frac{1}{2}\lVert f\rVert^2 2 1 ∥ f ∥ 2 a small multiple of a corrector, designed so that its time derivative dissipates f S f_S f S . We use the shifted corrector of Fan, Li, and Lu [20 Section 2] .
Definition 2.1 (Shifted corrector and modified energy). Let a > 0 a>0 a > 0 and ϵ > 0 \epsilon>0 ϵ > 0 . The shifted corrector is
A a = ( a − L 0 ) − 1 ( v ⋅ ∇ x ) Π v ) ∗ . (21) \mathcal{A}_a=(a-\mathcal{L}_0)^{-1}(v\cdot\nabla_x)\Pi_v)^*. \tag*{(21)} A a = ( a − L 0 ) − 1 ( v ⋅ ∇ x ) Π v ) ∗ . (21) The corrector is defined first on test functions and extended by continuity to L 0 2 ( μ ) L^2_0(\mu) L 0 2 ( μ ) ; see Lemma 2.2 . For f ∈ L 0 2 ( μ ) f\in L^2_0(\mu) f ∈ L 0 2 ( μ ) , the modified energy is
L a , ϵ ( f ) : = 1 2 ∥ f ∥ 2 + ϵ ⟨ A a f , f ⟩ . (22) \mathcal{L}_{a,\epsilon}(f):=\frac{1}{2}\lVert f\rVert^2+\epsilon\langle\mathcal{A}_a f,f\rangle. \tag*{(22)} L a , ϵ ( f ) := 2 1 ∥ f ∥ 2 + ϵ ⟨ A a f , f ⟩ . (22) For the law ϱ t \varrho_t ϱ t , we apply this energy to f t = d ϱ t / d μ − 1 f_t=\mathrm{d}\varrho_t/\mathrm{d}\mu-1 f t = d ϱ t / d μ − 1 from (16) .
The correction enters (22) with the sign opposite to that in [20 ] . They differentiate the energy along the backward equation ∂ t f = L f \partial_t f=\mathcal{L}f ∂ t f = L f , whereas we use the forward density equation (19) , in which the transport term of the generator changes sign.
The shift a a a and the correction weight ϵ \epsilon ϵ are auxiliary proof parameters, distinct from the Hessian bounds α , β \alpha,\beta α , β , the LSI constant C L S I C_{\mathrm{LSI}} C LSI , and the friction or refreshment rate γ \gamma γ . Both are constant in time. The weight is chosen in Proposition 3.1 , and the shift in the proofs of § 4 .
We record operator bounds for the corrector. They also justify the differentiation of the correction in the proof of Proposition 3.1 .
Lemma 2.2 (Corrector identities and operator bounds). *For every a > 0 a>0 a > 0 , the corrector in Definition 2.1 has a bounded extension to L 0 2 ( μ ) L_0^2(\mu) L 0 2 ( μ ) satisfying
Π v A a = A a , A a Π v = 0 , \Pi_v\mathcal{A}_a=\mathcal{A}_a,\qquad\mathcal{A}_a\Pi_v=0, Π v A a = A a , A a Π v = 0 , ∥ A a ∥ ≤ 1 2 a , ∥ ( v ⋅ ∇ x ) A a ∥ ≤ 1. (23) \|\mathcal{A}_a\|\le\frac{1}{2\sqrt{a}},\qquad\|(v\cdot\nabla_x)\mathcal{A}_a\|\le1. \tag*{(23)} ∥ A a ∥ ≤ 2 a 1 , ∥ ( v ⋅ ∇ x ) A a ∥ ≤ 1. (23) Here the norms in (23) are operator norms on L 0 2 ( μ ) L_0^2(\mu) L 0 2 ( μ ) . Moreover, for every f ∈ L 0 2 ( μ ) f\in L_0^2(\mu) f ∈ L 0 2 ( μ ) ,
A a ∗ f = ( v ⋅ ∇ x ) ( a − L 0 ) − 1 Π v f . (24) \mathcal{A}_a^*f=(v\cdot\nabla_x)(a-\mathcal{L}_0)^{-1}\Pi_v f. \tag*{(24)} A a ∗ f = ( v ⋅ ∇ x ) ( a − L 0 ) − 1 Π v f . (24) The identities and bounds are proved in Fan, Li, and Lu [20 Section 3 and Lemma 1] . For a sufficiently small correction weight, the modified energy is comparable to the squared L 2 L^2 L 2 norm.
Lemma 2.3 (Energy equivalence). *For every a > 0 a>0 a > 0 , 0 < ϵ ≤ a 0<\epsilon\le\sqrt{a} 0 < ϵ ≤ a , and f ∈ L 0 2 ( μ ) f\in L_0^2(\mu) f ∈ L 0 2 ( μ ) ,
1 4 ∥ f ∥ 2 ≤ L a , ϵ ( f ) ≤ 3 4 ∥ f ∥ 2 . (25) \frac{1}{4}\|f\|^2\le L_{a,\epsilon}(f)\le\frac{3}{4}\|f\|^2. \tag*{(25)} 4 1 ∥ f ∥ 2 ≤ L a , ϵ ( f ) ≤ 4 3 ∥ f ∥ 2 . (25) Proof. Since Π v f F = 0 \Pi_v f_F=0 Π v f F = 0 and f S f_S f S is spatial,
⟨ f F , f S ⟩ = ⟨ Π v f F , f S ⟩ = 0 , ∥ f ∥ 2 = ∥ f S ∥ 2 + ∥ f F ∥ 2 . \langle f_F,f_S\rangle=\langle\Pi_v f_F,f_S\rangle=0,\qquad\|f\|^2=\|f_S\|^2+\|f_F\|^2. ⟨ f F , f S ⟩ = ⟨ Π v f F , f S ⟩ = 0 , ∥ f ∥ 2 = ∥ f S ∥ 2 + ∥ f F ∥ 2 . Also A a f = A a f F \mathcal{A}_a f=\mathcal{A}_a f_F A a f = A a f F is spatial, so
∣ ϵ ⟨ A a f , f ⟩ ∣ = ∣ ϵ ⟨ A a f F , f S ⟩ ∣ ≤ ϵ 2 a ∥ f F ∥ ∥ f S ∥ ≤ ϵ 4 a ( ∥ f F ∥ 2 + ∥ f S ∥ 2 ) ≤ 1 4 ∥ f ∥ 2 . |\epsilon\langle\mathcal{A}_a f,f\rangle|=|\epsilon\langle\mathcal{A}_a f_F,f_S\rangle|
\le\frac{\epsilon}{2\sqrt{a}}\|f_F\|\|f_S\|
\le\frac{\epsilon}{4\sqrt{a}}(\|f_F\|^2+\|f_S\|^2)\le\frac{1}{4}\|f\|^2. ∣ ϵ ⟨ A a f , f ⟩ ∣ = ∣ ϵ ⟨ A a f F , f S ⟩ ∣ ≤ 2 a ϵ ∥ f F ∥∥ f S ∥ ≤ 4 a ϵ ( ∥ f F ∥ 2 + ∥ f S ∥ 2 ) ≤ 4 1 ∥ f ∥ 2 . The last inequality uses ϵ ≤ a \epsilon\le\sqrt{a} ϵ ≤ a . Hence (25) follows.
Dissipation estimates
We establish the two estimates that yield decay of the Rényi-2 divergence. The first bounds the time derivative of the modified energy by a macroscopic dissipation and the velocity dissipation. The second bounds the macroscopic dissipation below through the LSI; it is the only place where the LSI enters.
For f S ∈ L 0 2 ( μ x ) f_S\in L_0^2(\mu_x) f S ∈ L 0 2 ( μ x ) , define the macroscopic dissipation
D a ( f S ) = ⟨ f S , ( − L 0 ) ( a − L 0 ) − 1 f S ⟩ . (26) \mathcal{D}_a(f_S)=\langle f_S,(-\mathcal{L}_0)(a-\mathcal{L}_0)^{-1}f_S\rangle. \tag*{(26)} D a ( f S ) = ⟨ f S , ( − L 0 ) ( a − L 0 ) − 1 f S ⟩ . (26)
The name follows the macroscopic coercivity condition of [15 Assumption (H2)] and the terminology of [20 ] .
Proposition 3.1 (Dissipation of the modified energy). *Assume (1) , with β < ∞ \beta<\infty β < ∞ for Z Z ZZ Z Z . Let a > 0 a>0 a > 0 , and let the corrector weight ϵ \epsilon ϵ be given by the formulas below. Let ϱ t \varrho_t ϱ t be the law of the process at
time t t t , and let f t = d ϱ t / d μ − 1 f_t = \mathrm{d}\varrho_t/\mathrm{d}\mu- 1 f t = d ϱ t / d μ − 1 as in (16) . If f 0 ∈ D ( L ∗ ) f_0 \in D(\mathcal{L}^*) f 0 ∈ D ( L ∗ ) , then the modified energy satisfies, for all t ≥ 0 t \ge0 t ≥ 0 ,
d d t L a , ϵ ( f t ) ≤ − ϵ 2 D a ( f S ) − γ 2 ∥ f F ∥ 2 , (27) \frac{\mathrm{d}}{\mathrm{d}t}\mathcal{L}_{a,\epsilon}(f_t) \leq-\frac{\epsilon}{2}\mathcal{D}_a(f_S)-\frac{\gamma}{2}\lVert f_F\rVert^2, \tag*{(27)} d t d L a , ϵ ( f t ) ≤ − 2 ϵ D a ( f S ) − 2 γ ∥ f F ∥ 2 , (27)
where
ϵ = { γ a 3 a + ( − α ) + + γ 2 , U L D , γ a 100 [ γ 2 + min { d ( a + ( − α ) + ) , a + ( − α ) + + β d } ] , B P S , γ a 100 [ a + β + ( − α ) + + γ 2 ] , Z Z . (28) \epsilon=
\begin{cases}
\frac{\gamma a}{3a+(-\alpha)_+ + \gamma^2}, & \mathrm{ULD},\\[6pt]
\frac{\gamma a}{100[\gamma^2+\min\{d(a+(-\alpha)_+),a+(-\alpha)_+ + \beta d\}]}, & \mathrm{BPS},\\[6pt]
\frac{\gamma a}{100[a+\beta+(-\alpha)_+ + \gamma^2]}, & \mathrm{ZZ}.
\end{cases} \tag*{(28)} ϵ = ⎩ ⎨ ⎧ 3 a + ( − α ) + + γ 2 γ a , 100 [ γ 2 + m i n { d ( a + ( − α ) + ) , a + ( − α ) + + β d }] γ a , 100 [ a + β + ( − α ) + + γ 2 ] γ a , ULD , BPS , ZZ . (28)
Moreover, the weight (28) satisfies 0 < ϵ ≤ min { γ , a / 2 } 0 < \epsilon\leq\min\{\gamma,\sqrt{a/2}\} 0 < ϵ ≤ min { γ , a /2 } .
Subsection 3.1 proves Proposition 3.1 from the velocity dissipation and sampler-dependent cross-term estimates. Subsection 3.2 bounds D a \mathcal{D}_a D a below using the LSI. Subsection 3.3 contains the sampler-specific calculations.
Velocity dissipation and cross terms
The following velocity dissipation estimates are taken from Fan, Li, and Lu [20 (25), (30)] for ULD and Lu and Wang [29 (30)–(32)] for BPS and ZZ.
Lemma 3.2 (Velocity dissipation). Let f ∈ L 0 2 ( μ ) f \in L^2_0(\mu) f ∈ L 0 2 ( μ ) be a test function. For ULD,
⟨ f , L f ⟩ = − γ ∥ ∇ v f ∥ 2 ≤ − γ ∥ f F ∥ 2 , (29) \langle f,\mathcal{L}f\rangle= -\gamma\lVert\nabla_v f\rVert^2 \leq-\gamma\lVert f_F\rVert^2, \tag*{(29)} ⟨ f , L f ⟩ = − γ ∥ ∇ v f ∥ 2 ≤ − γ ∥ f F ∥ 2 , (29) where the inequality is the Gaussian Poincaré inequality in v v v .
For BPS,
⟨ f , L f ⟩ = − 1 2 ∫ ( v ⋅ ∇ U ) + [ f ( x , R x v ) − f ( x , v ) ] 2 d μ − γ ∥ f F ∥ 2 \langle f,\mathcal{L}f\rangle= -\frac{1}{2}\int(v\cdot\nabla U)_+[f(x,R_xv)-f(x,v)]^2\,\mathrm{d}\mu-\gamma\lVert f_F\rVert^2 ⟨ f , L f ⟩ = − 2 1 ∫ ( v ⋅ ∇ U ) + [ f ( x , R x v ) − f ( x , v ) ] 2 d μ − γ ∥ f F ∥ 2 ≤ − γ ∥ f F ∥ 2 . (30) \leq-\gamma\lVert f_F\rVert^2. \tag*{(30)} ≤ − γ ∥ f F ∥ 2 . (30) For ZZ,
⟨ f , L f ⟩ = − 1 2 ∑ i = 1 d ∫ ( v i ∂ x i U ) + [ f ( x , F i v ) − f ( x , v ) ] 2 d μ − γ ∥ f F ∥ 2 \langle f,\mathcal{L}f\rangle= -\frac{1}{2}\sum_{i=1}^{d}\int(v_i\partial_{x_i}U)_+[f(x,F_i v)-f(x,v)]^2\,\mathrm{d}\mu-\gamma\lVert f_F\rVert^2 ⟨ f , L f ⟩ = − 2 1 i = 1 ∑ d ∫ ( v i ∂ x i U ) + [ f ( x , F i v ) − f ( x , v ) ] 2 d μ − γ ∥ f F ∥ 2 ≤ − γ ∥ f F ∥ 2 . (31) \leq-\gamma\lVert f_F\rVert^2. \tag*{(31)} ≤ − γ ∥ f F ∥ 2 . (31)
One term in the derivative of the correction in (22) is the pairing ⟨ f , L ( v ⋅ ∇ x ϕ ) ⟩ \langle f,\mathcal{L}(v\cdot\nabla_x\phi)\rangle ⟨ f , L ( v ⋅ ∇ x ϕ )⟩ , where ϕ = ( a − L 0 ) − 1 f S \phi=(a-\mathcal{L}_0)^{-1}f_S ϕ = ( a − L 0 ) − 1 f S is a function of x x x alone. The velocity average of L ( v ⋅ ∇ x ϕ ) \mathcal{L}(v\cdot\nabla_x\phi) L ( v ⋅ ∇ x ϕ ) pairs with f S f_S f S and yields the macroscopic dissipation (26) . Its fluctuation pairs with f F f_F f F and yields the cross term ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ \langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ . The following estimates control this cross term by the macroscopic and velocity dissipations, so that it can be absorbed in the proof of Proposition 3.1.
Lemma 3.3 (Velocity-average identity and cross-term estimates). For ϕ ∈ C ∞ ( R d ) \phi\in C^\infty(\mathbb{R}^d) ϕ ∈ C ∞ ( R d ) , each of the three generators satisfies the velocity-average identity
Π v L ( v ⋅ ∇ x ϕ ) = L 0 ϕ . (32) \Pi_v\mathcal{L}(v\cdot\nabla_x\phi)=\mathcal{L}_0\phi. \tag*{(32)} Π v L ( v ⋅ ∇ x ϕ ) = L 0 ϕ . (32)
For the remaining assertions, assume (1) , with β < ∞ \beta< \infty β < ∞ for ZZ. Let a > 0 a > 0 a > 0 , let f ∈ L 0 2 ( μ ) f \in L^2_0(\mu) f ∈ L 0 2 ( μ ) be a test function, and let ϕ = ( a − L 0 ) − 1 f S \phi= (a-\mathcal{L}_0)^{-1}f_S ϕ = ( a − L 0 ) − 1 f S be the associated resolvent function. Then (32) holds for this ϕ \phi ϕ , and we have the following estimates:
For ULD,
∣ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ ∣ ≤ 1 + ( − α ) + + γ 2 a D a ( f S ) ∥ ∇ v f ∥ . (33) \left|\langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle\right|
\leq\sqrt{1+\frac{(-\alpha)_+ + \gamma^2}{a}}\sqrt{\mathcal{D}_a(f_S)}\|\nabla_v f\|. \tag*{(33)} ∣ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ ∣ ≤ 1 + a ( − α ) + + γ 2 D a ( f S ) ∥ ∇ v f ∥. (33)
For BPS,
∣ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ ∣ ≤ 66 d + ( 30 d + 6 ) ( − α ) + + 3 γ 2 a D a ( f S ) ∥ f F ∥ . (34) \left|\langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle\right|
\leq\sqrt{66d+\frac{(30d+6)(-\alpha)_+ + 3\gamma^2}{a}}\sqrt{\mathcal{D}_a(f_S)}\|f_F\|. \tag*{(34)} ∣ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ ∣ ≤ 66 d + a ( 30 d + 6 ) ( − α ) + + 3 γ 2 D a ( f S ) ∥ f F ∥. (34)
If in addition β < ∞ \beta< \infty β < ∞ , then
∣ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ ∣ ≤ 66 + 66 ( − α ) + + 30 β d + 3 γ 2 a D a ( f S ) ∥ f F ∥ . (35) \left|\langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle\right|
\leq\sqrt{66+\frac{66(-\alpha)_+ + 30\beta d + 3\gamma^2}{a}}\sqrt{\mathcal{D}_a(f_S)}\|f_F\|. \tag*{(35)} ∣ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ ∣ ≤ 66 + a 66 ( − α ) + + 30 β d + 3 γ 2 D a ( f S ) ∥ f F ∥. (35)
For ZZ,
∣ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ ∣ ≤ 66 + 66 ( − α ) + + 30 β + 3 γ 2 a D a ( f S ) ∥ f F ∥ . (36) \left|\langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle\right|
\leq\sqrt{66+\frac{66(-\alpha)_+ + 30\beta+ 3\gamma^2}{a}}\sqrt{\mathcal{D}_a(f_S)}\|f_F\|. \tag*{(36)} ∣ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ ∣ ≤ 66 + a 66 ( − α ) + + 30 β + 3 γ 2 D a ( f S ) ∥ f F ∥. (36)
Lemma 3.3 is proved for each sampler in Subsections 3.3.2–3.3.4.
From now on, ϕ = ( a − L 0 ) − 1 f S \phi=(a-\mathcal{L}_0)^{-1}f_S ϕ = ( a − L 0 ) − 1 f S denotes the resolvent function of Lemma 3.3; it is defined for every f S ∈ L 0 2 ( μ x ) f_S\in L^2_0(\mu_x) f S ∈ L 0 2 ( μ x ) . The sampler-specific proofs bound squared norms of derivatives of ϕ \phi ϕ in terms of D a ( f S ) \mathcal{D}_a(f_S) D a ( f S ) . Pairing the resolvent equation f S = ( a − L 0 ) ϕ f_S=(a-\mathcal{L}_0)\phi f S = ( a − L 0 ) ϕ with − L 0 ϕ -\mathcal{L}_0\phi − L 0 ϕ , and using (26) and ⟨ ϕ , − L 0 ϕ ⟩ = ∥ ∇ x ϕ ∥ 2 \langle\phi,-\mathcal{L}_0\phi\rangle=\|\nabla_x\phi\|^2 ⟨ ϕ , − L 0 ϕ ⟩ = ∥ ∇ x ϕ ∥ 2 , gives
D a ( f S ) = a ∥ ∇ x ϕ ∥ 2 + ∥ L 0 ϕ ∥ 2 . (37) \mathcal{D}_a(f_S)=a\|\nabla_x\phi\|^2+\|\mathcal{L}_0\phi\|^2. \tag*{(37)} D a ( f S ) = a ∥ ∇ x ϕ ∥ 2 + ∥ L 0 ϕ ∥ 2 . (37)
Both terms on the right are nonnegative, so
∥ L 0 ϕ ∥ 2 ≤ D a ( f S ) , ∥ ∇ x ϕ ∥ 2 ≤ 1 a D a ( f S ) . (38) \|\mathcal{L}_0\phi\|^2\leq\mathcal{D}_a(f_S),\qquad\|\nabla_x\phi\|^2\leq\frac{1}{a}\mathcal{D}_a(f_S). \tag*{(38)} ∥ L 0 ϕ ∥ 2 ≤ D a ( f S ) , ∥ ∇ x ϕ ∥ 2 ≤ a 1 D a ( f S ) . (38)
By (26) , Cauchy–Schwarz, and the bound on ∥ L 0 ϕ ∥ 2 \|\mathcal{L}_0\phi\|^2 ∥ L 0 ϕ ∥ 2 in (38) , D a ( f S ) = ⟨ f S , − L 0 ϕ ⟩ ≤ ∥ f S ∥ D a ( f S ) \mathcal{D}_a(f_S)=\langle f_S,-\mathcal{L}_0\phi\rangle\leq\|f_S\|\sqrt{\mathcal{D}_a(f_S)} D a ( f S ) = ⟨ f S , − L 0 ϕ ⟩ ≤ ∥ f S ∥ D a ( f S ) . Hence 0 ≤ D a ( f S ) ≤ ∥ f S ∥ 2 0\leq\mathcal{D}_a(f_S)\leq\|f_S\|^2 0 ≤ D a ( f S ) ≤ ∥ f S ∥ 2 , and D a \mathcal{D}_a D a is a bounded quadratic form on L 0 2 ( μ x ) L^2_0(\mu_x) L 0 2 ( μ x ) .
Proof of Proposition 3.1. We first differentiate the modified energy along the forward equation (19) . The calculation follows Fan, Li, and Lu [20 (41)–(48)] , with the sign change explained in Section 2.2. The forward equation gives
1 2 d d t ∥ f ∥ 2 = ⟨ f , L ∗ f ⟩ . (39) \frac{1}{2}\frac{\mathrm{d}}{\mathrm{d}t}\|f\|^2=\langle f,\mathcal{L}^*f\rangle. \tag*{(39)} 2 1 d t d ∥ f ∥ 2 = ⟨ f , L ∗ f ⟩ . (39)
For test functions, ⟨ f , L ∗ f ⟩ = ⟨ L f , f ⟩ = ⟨ f , L f ⟩ \langle f,\mathcal{L}^*f\rangle=\langle\mathcal{L}f,f\rangle=\langle f,\mathcal{L}f\rangle ⟨ f , L ∗ f ⟩ = ⟨ L f , f ⟩ = ⟨ f , L f ⟩ . Since C ∞ ( R 2 d ) C^\infty(\mathbb{R}^{2d}) C ∞ ( R 2 d ) is a core for L ∗ \mathcal{L}^* L ∗ , the estimates in Lemmas 3.2 and 3.3 extend by approximation to f ∈ D ( L ∗ ) f\in D(\mathcal{L}^*) f ∈ D ( L ∗ ) , with ⟨ f , L f ⟩ \langle f,\mathcal{L}f\rangle ⟨ f , L f ⟩ replaced by ⟨ f , L ∗ f ⟩ \langle f,\mathcal{L}^*f\rangle ⟨ f , L ∗ f ⟩ .
For the correction, the product rule gives
d d t ⟨ A a f , f ⟩ = ⟨ A a ∂ t f , f ⟩ + ⟨ A a f , ∂ t f ⟩ . (40) \frac{\mathrm{d}}{\mathrm{d}t}\langle\mathcal{A}_a f,f\rangle=\langle\mathcal{A}_a\partial_t f,f\rangle+\langle\mathcal{A}_a f,\partial_t f\rangle. \tag*{(40)} d t d ⟨ A a f , f ⟩ = ⟨ A a ∂ t f , f ⟩ + ⟨ A a f , ∂ t f ⟩ . (40)
Using Π v A a = A a \Pi_v\mathcal{A}_a=\mathcal{A}_a Π v A a = A a , the adjoint formula from Lemma 2.2 , and ∂ t f = L ∗ f \partial_t f=\mathcal{L}^*f ∂ t f = L ∗ f , we write the first term as
⟨ A a ∂ t f , f ⟩ = ⟨ A a ∂ t f , f S ⟩ = ⟨ ∂ t f , A a ∗ f S ⟩ = ⟨ ∂ t f , v ⋅ ∇ x ϕ ⟩ = ⟨ f , L ( v ⋅ ∇ x ϕ ) ⟩ . \begin{aligned}
\langle\mathcal{A}_a\partial_t f,f\rangle=\langle\mathcal{A}_a\partial_t f,f_S\rangle=\langle\partial_t f,\mathcal{A}_a^*f_S\rangle\\
&=\langle\partial_t f,v\cdot\nabla_x\phi\rangle=\langle f,\mathcal{L}(v\cdot\nabla_x\phi)\rangle.
\end{aligned} ⟨ A a ∂ t f , f ⟩ = ⟨ A a ∂ t f , f S ⟩ = ⟨ ∂ t f , A a ∗ f S ⟩ = ⟨ ∂ t f , v ⋅ ∇ x ϕ ⟩ = ⟨ f , L ( v ⋅ ∇ x ϕ )⟩ .
Since Π v f S = f S \Pi_v f_S=f_S Π v f S = f S , Π v f F = 0 \Pi_v f_F=0 Π v f F = 0 , and Π v \Pi_v Π v is self-adjoint, the right-hand side splits as in the first line below. The second line uses the velocity-average identity for ϕ \phi ϕ from Lemma 3.3, and the third uses the definition (26) of D a \mathcal{D}_a D a :
⟨ f , L ( v ⋅ ∇ x ϕ ) ⟩ = ⟨ f S , Π v L ( v ⋅ ∇ x ϕ ) ⟩ + ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ = ⟨ f S , L 0 ϕ ⟩ + ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ = − D a ( f S ) + ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ . \begin{aligned}
\langle f,\mathcal{L}(v\cdot\nabla_x\phi)\rangle=\langle f_S,\Pi_v\mathcal{L}(v\cdot\nabla_x\phi)\rangle+\langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle\\
&=\langle f_S,\mathcal{L}_0\phi\rangle+\langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle\\
&=-\mathcal{D}_a(f_S)+\langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle.
\end{aligned} ⟨ f , L ( v ⋅ ∇ x ϕ )⟩ = ⟨ f S , Π v L ( v ⋅ ∇ x ϕ )⟩ + ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ = ⟨ f S , L 0 ϕ ⟩ + ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ = − D a ( f S ) + ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ .
For the second term in (40) , the function A a f = A a f F \mathcal{A}_a f=\mathcal{A}_a f_F A a f = A a f F depends on x x x alone. Hence L A a f F = ( v ⋅ ∇ x ) A a f F \mathcal{L}\mathcal{A}_a f_F=(v\cdot\nabla_x)\mathcal{A}_a f_F L A a f F = ( v ⋅ ∇ x ) A a f F , which has zero velocity average, and
⟨ A a f , ∂ t f ⟩ = ⟨ A a f F , L ∗ f ⟩ = ⟨ L A a f F , f ⟩ = ⟨ ( v ⋅ ∇ x ) A a f F , f ⟩ = ⟨ ( v ⋅ ∇ x ) A a f F , f F ⟩ . \begin{aligned}
\langle\mathcal{A}_a f,\partial_t f\rangle=\langle\mathcal{A}_a f_F,\mathcal{L}^*f\rangle=\langle\mathcal{L}\mathcal{A}_a f_F,f\rangle\\
&=\langle(v\cdot\nabla_x)\mathcal{A}_a f_F,f\rangle=\langle(v\cdot\nabla_x)\mathcal{A}_a f_F,f_F\rangle.
\end{aligned} ⟨ A a f , ∂ t f ⟩ = ⟨ A a f F , L ∗ f ⟩ = ⟨ L A a f F , f ⟩ = ⟨( v ⋅ ∇ x ) A a f F , f ⟩ = ⟨( v ⋅ ∇ x ) A a f F , f F ⟩ .
Together, these identities give
d d t ⟨ A a f , f ⟩ = − D a ( f S ) + ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ + ⟨ f F , ( v ⋅ ∇ x ) A a f F ⟩ . (41) \frac{\mathrm{d}}{\mathrm{d}t}\langle\mathcal{A}_a f,f\rangle=-\mathcal{D}_a(f_S)+\langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle
+\langle f_F,(v\cdot\nabla_x)\mathcal{A}_a f_F\rangle. \tag*{(41)} d t d ⟨ A a f , f ⟩ = − D a ( f S ) + ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ + ⟨ f F , ( v ⋅ ∇ x ) A a f F ⟩ . (41)
Lemma 2.2 controls the final term:
∣ ⟨ f F , ( v ⋅ ∇ x ) A a f F ⟩ ∣ ≤ ∥ f F ∥ ∥ ( v ⋅ ∇ x ) A a f F ∥ ≤ ∥ f F ∥ 2 . (42) \left|\langle f_F,(v\cdot\nabla_x)\mathcal{A}_a f_F\rangle\right|\leq\|f_F\|\|(v\cdot\nabla_x)\mathcal{A}_a f_F\|\leq\|f_F\|^2. \tag*{(42)} ∣ ⟨ f F , ( v ⋅ ∇ x ) A a f F ⟩ ∣ ≤ ∥ f F ∥∥ ( v ⋅ ∇ x ) A a f F ∥ ≤ ∥ f F ∥ 2 . (42)
Combining (39) , (41) , and (42) , we obtain
d d t L a , ϵ ( f ) ≤ ⟨ f , L ∗ f ⟩ − ϵ D a ( f S ) + ϵ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ + ϵ ∥ f F ∥ 2 . (43) \frac{\mathrm{d}}{\mathrm{d}t}\mathcal{L}_{a,\epsilon}(f)\leq\langle f,\mathcal{L}^*f\rangle-\epsilon\mathcal{D}_a(f_S)
+\epsilon\langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle+\epsilon\|f_F\|^2. \tag*{(43)} d t d L a , ϵ ( f ) ≤ ⟨ f , L ∗ f ⟩ − ϵ D a ( f S ) + ϵ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ + ϵ ∥ f F ∥ 2 . (43)
We now absorb the cross term. First, any finite upper Hessian bound β \beta β is positive: otherwise the restriction of the coercive potential U U U to every line would be concave, which is impossible for a function tending to + ∞ +\infty + ∞ in both directions. Each weight in (28) consequently satisfies
0 < ϵ ≤ γ a a + γ 2 ≤ min { γ , a / 2 } . 0<\epsilon\leq\frac{\gamma a}{a+\gamma^2}\leq\min\{\gamma,a/2\}. 0 < ϵ ≤ a + γ 2 γ a ≤ min { γ , a /2 } .
In particular, Lemma 2.3 applies.
Write D v = ∥ ∇ v f ∥ 2 \mathcal{D}_v=\|\nabla_v f\|^2 D v = ∥ ∇ v f ∥ 2 for ULD and D v = ∥ f F ∥ 2 \mathcal{D}_v=\|f_F\|^2 D v = ∥ f F ∥ 2 for BPS and ZZ, and let K K K be the coefficient multiplying D a ( f S ) D v \sqrt{\mathcal{D}_a(f_S)\mathcal{D}_v} D a ( f S ) D v in the corresponding estimate of Lemma 3.3. For BPS, use the estimate corresponding to the smaller of the two terms inside the minimum in (28) . Lemmas 3.2 and 3.3 give ⟨ f , L ∗ f ⟩ ≤ − γ D v \langle f,\mathcal{L}^{*}f\rangle\le-\gamma\mathcal{D}_{v} ⟨ f , L ∗ f ⟩ ≤ − γ D v and ∥ f F ∥ 2 ≤ D v \|f_{F}\|^{2}\le\mathcal{D}_{v} ∥ f F ∥ 2 ≤ D v , together with the cross-term bound K D a ( f S ) D v K\sqrt{\mathcal{D}_{a}(f_{S})\mathcal{D}_{v}} K D a ( f S ) D v . Young’s inequality in (43) yields
d d t L a , ϵ ( f ) ≤ − ϵ D a ( f S ) − γ D v + ϵ K D a ( f S ) D v + ϵ D v ≤ − ϵ 2 D a ( f S ) − [ γ − ϵ ( 1 + K 2 2 ) ] D v . \begin{aligned}
\frac{\mathrm{d}}{\mathrm{d}t}\mathcal{L}_{a,\epsilon}(f)\le-\epsilon\mathcal{D}_{a}(f_{S})-\gamma\mathcal{D}_{v}+\epsilon K\sqrt{\mathcal{D}_{a}(f_{S})\mathcal{D}_{v}}+\epsilon\mathcal{D}_{v} \\
&\le-\frac{\epsilon}{2}\mathcal{D}_{a}(f_{S})-\left[\gamma-\epsilon\left(1+\frac{K^{2}}{2}\right)\right]\mathcal{D}_{v}.
\end{aligned} d t d L a , ϵ ( f ) ≤ − ϵ D a ( f S ) − γ D v + ϵK D a ( f S ) D v + ϵ D v ≤ − 2 ϵ D a ( f S ) − [ γ − ϵ ( 1 + 2 K 2 ) ] D v .
It remains to check ϵ ( K 2 + 2 ) ≤ γ \epsilon(K^{2}+2)\le\gamma ϵ ( K 2 + 2 ) ≤ γ . The prefactors in Lemma 3.3 satisfy
a ( K 2 + 2 ) ≤ { 3 a + ( − α ) + + γ 2 , U L D , 100 [ γ 2 + d ( a + ( − α ) + ) ] , B P S , x r e f ‘ ( 3.9 ) ‘ , 100 [ γ 2 + a + ( − α ) + + β d ] , B P S , x r e f ‘ ( 3.10 ) ‘ , 100 [ γ 2 + a + ( − α ) + + β ] , Z Z . a(K^{2}+2)\le
\begin{cases}
3a+(-\alpha)_{+}+\gamma^{2}, & \mathrm{ULD},\\
100[\gamma^{2}+d(a+(-\alpha)_{+})], & \mathrm{BPS},\ {xref}`(3.9)`,\\
100[\gamma^{2}+a+(-\alpha)_{+}+\beta d], & \mathrm{BPS},\ {xref}`(3.10)`,\\
100[\gamma^{2}+a+(-\alpha)_{+}+\beta], & \mathrm{ZZ}.
\end{cases} a ( K 2 + 2 ) ≤ ⎩ ⎨ ⎧ 3 a + ( − α ) + + γ 2 , 100 [ γ 2 + d ( a + ( − α ) + )] , 100 [ γ 2 + a + ( − α ) + + β d ] , 100 [ γ 2 + a + ( − α ) + + β ] , ULD , BPS , x r e f ‘ ( 3.9 ) ‘ , BPS , x r e f ‘ ( 3.10 ) ‘ , ZZ .
For (34) , use 66 d + 2 ≤ 68 d 66d+2\le68d 66 d + 2 ≤ 68 d and 30 d + 6 ≤ 36 d 30d+6\le36d 30 d + 6 ≤ 36 d ; all other coefficients are already at most 100. The corresponding right-hand side equals γ a / ϵ \gamma a/\epsilon γ a / ϵ by (28) . Thus the remaining velocity coefficient is at least γ / 2 \gamma/2 γ /2 . Since D v ≥ ∥ f F ∥ 2 \mathcal{D}_{v}\ge\|f_{F}\|^{2} D v ≥ ∥ f F ∥ 2 , this proves (27) . □
A nonlinear spatial resolvent estimate
We now use the LSI to bound the macroscopic dissipation D a \mathcal{D}_{a} D a , defined in (26) , from below. The Poincaré inequality implied by (2) and spectral calculus give the linear estimate
D a ( f S ) ≥ C L S I a + C L S I ∥ f S ∥ 2 . (44) \mathcal{D}_{a}(f_{S})\ge\frac{C_{\mathrm{LSI}}}{a+C_{\mathrm{LSI}}}\|f_{S}\|^{2}. \tag*{(44)} D a ( f S ) ≥ a + C LSI C LSI ∥ f S ∥ 2 . (44)
Together with Proposition 3.1, it yields exponential decay of χ 2 \chi^{2} χ 2 , and hence mixing times linear in R R R . When 1 + f S 1+f_{S} 1 + f S is a probability density, the LSI gives a nonlinear estimate instead. Its numerator has the structure needed for the Rényi-2 divergence: if ∥ f ∥ 2 \|f\|^{2} ∥ f ∥ 2 decreased at a rate at least c ( 1 + ∥ f ∥ 2 ) log ( 1 + ∥ f ∥ 2 ) c(1+\|f\|^{2})\log(1+\|f\|^{2}) c ( 1 + ∥ f ∥ 2 ) log ( 1 + ∥ f ∥ 2 ) , then log ( 1 + ∥ f ∥ 2 ) \log(1+\|f\|^{2}) log ( 1 + ∥ f ∥ 2 ) would decay exponentially at rate c c c .
Proposition 3.4 (Nonlinear spatial resolvent estimate). Assume (2) . For every a > 0 a>0 a > 0 and every f S ∈ L 0 2 ( μ x ) f_{S}\in L^{2}_{0}(\mu_{x}) f S ∈ L 0 2 ( μ x ) satisfying f S ≥ − 1 f_{S}\ge-1 f S ≥ − 1 ,
D a ( f S ) ≥ C L S I ( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) 2 a + C L S I ( 1 + log ( 1 + ∥ f S ∥ 2 ) ) . (45) \mathcal{D}_{a}(f_{S})\ge\frac{C_{\mathrm{LSI}}(1+\|f_{S}\|^{2})\log(1+\|f_{S}\|^{2})}{2a+C_{\mathrm{LSI}}(1+\log(1+\|f_{S}\|^{2}))}. \tag*{(45)} D a ( f S ) ≥ 2 a + C LSI ( 1 + log ( 1 + ∥ f S ∥ 2 )) C LSI ( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) . (45)
Proof. We apply the LSI to a density obtained by smoothing 1 + f S 1+f_{S} 1 + f S with the normalized square root of the resolvent. The resulting density has squared gradient norm a D a ( f S ) a\mathcal{D}_{a}(f_{S}) a D a ( f S ) . Define
ψ = a ( a − L o ) − 1 / 2 ( 1 + f S ) = a π ∫ 0 ∞ t − 1 / 2 e − a t e t L o ( 1 + f S ) d t . (46) \psi=\sqrt{a}(a-\mathcal{L}_{o})^{-1/2}(1+f_{S})=\sqrt{\frac{a}{\pi}}\int_{0}^{\infty}t^{-1/2}e^{-at}e^{t\mathcal{L}_{o}}(1+f_{S})\,\mathrm{d}t. \tag*{(46)} ψ = a ( a − L o ) − 1/2 ( 1 + f S ) = π a ∫ 0 ∞ t − 1/2 e − a t e t L o ( 1 + f S ) d t . (46)
The second equality follows from spectral calculus, since the spectrum of a − L o a-\mathcal{L}_{o} a − L o lies in [ a , ∞ ) [a,\infty) [ a , ∞ ) , and the identity
λ − 1 / 2 = 1 π ∫ 0 ∞ t − 1 / 2 e − λ t d t , λ > 0. \lambda^{-1/2}=\frac{1}{\sqrt{\pi}}\int_{0}^{\infty}t^{-1/2}e^{-\lambda t}\,\mathrm{d}t,\qquad\lambda>0. λ − 1/2 = π 1 ∫ 0 ∞ t − 1/2 e − λ t d t , λ > 0.
Taking λ = a \lambda=a λ = a shows that the weight a / π t − 1 / 2 e − a t \sqrt{a/\pi}\,t^{-1/2}e^{-at} a / π t − 1/2 e − a t has integral one. The semigroup e t L o e^{t\mathcal{L}_{o}} e t L o preserves probability densities and contracts L 2 ( μ x ) L^{2}(\mu_{x}) L 2 ( μ x ) . Thus the integral converges in L 2 ( μ x ) L^{2}(\mu_{x}) L 2 ( μ x ) and defines a probability density ψ \psi ψ . Since L 0 1 = 0 \mathcal{L}_0 1=0 L 0 1 = 0 , the definition gives ψ = 1 + a ( a − L 0 ) − 1 / 2 f S \psi=1+\sqrt{a}(a-\mathcal{L}_0)^{-1/2}f_S ψ = 1 + a ( a − L 0 ) − 1/2 f S , and the second term has mean zero because f S f_S f S does. The operator ( − L 0 ) 1 / 2 ( a − L 0 ) − 1 / 2 (-\mathcal{L}_0)^{1/2}(a-\mathcal{L}_0)^{-1/2} ( − L 0 ) 1/2 ( a − L 0 ) − 1/2 is bounded, so ψ \psi ψ lies in the domain of the form h ↦ ∥ ∇ x h ∥ 2 h\mapsto\|\nabla_x h\|^2 h ↦ ∥ ∇ x h ∥ 2 . Using (26) and a ( a − L 0 ) − 1 = I − ( − L 0 ) ( a − L 0 ) − 1 a(a-\mathcal{L}_0)^{-1}=I-(-\mathcal{L}_0)(a-\mathcal{L}_0)^{-1} a ( a − L 0 ) − 1 = I − ( − L 0 ) ( a − L 0 ) − 1 , we obtain
∥ ∇ x ψ ∥ 2 = a ⟨ f S , ( − L 0 ) ( a − L 0 ) − 1 f S ⟩ = a D a ( f S ) , ∥ ψ ∥ 2 = 1 + a ⟨ f S , ( a − L 0 ) − 1 f S ⟩ = 1 + ∥ f S ∥ 2 − D a ( f S ) . (47) \begin{aligned}
\|\nabla_x\psi\|^2&=a\langle f_S,(-\mathcal{L}_0)(a-\mathcal{L}_0)^{-1}f_S\rangle=a\mathcal{D}_a(f_S),\\
\|\psi\|^2&=1+a\langle f_S,(a-\mathcal{L}_0)^{-1}f_S\rangle=1+\|f_S\|^2-\mathcal{D}_a(f_S). \tag*{(47)}
\end{aligned} ∥ ∇ x ψ ∥ 2 ∥ ψ ∥ 2 = a ⟨ f S , ( − L 0 ) ( a − L 0 ) − 1 f S ⟩ = a D a ( f S ) , = 1 + a ⟨ f S , ( a − L 0 ) − 1 f S ⟩ = 1 + ∥ f S ∥ 2 − D a ( f S ) . (47)
We next bound Ent μ x ( ψ 2 ) \operatorname{Ent}_{\mu_x}(\psi^2) Ent μ x ( ψ 2 ) from both sides. Since ψ \psi ψ is a probability density, Jensen’s inequality for u ↦ u log u u\mapsto u\log u u ↦ u log u under the probability measure ψ d μ x \psi\,d\mu_x ψ d μ x gives
∫ ψ 2 log ψ 2 d μ x = 2 ∫ ψ ( ψ log ψ ) d μ x ≥ 2 ∥ ψ ∥ 2 log ∥ ψ ∥ . \int\psi^2\log\psi^2\,d\mu_x=2\int\psi(\psi\log\psi)\,d\mu_x\geq2\|\psi\|^2\log\|\psi\|. ∫ ψ 2 log ψ 2 d μ x = 2 ∫ ψ ( ψ log ψ ) d μ x ≥ 2∥ ψ ∥ 2 log ∥ ψ ∥.
Subtracting ∥ ψ ∥ 2 log ∥ ψ ∥ 2 \|\psi\|^2\log\|\psi\|^2 ∥ ψ ∥ 2 log ∥ ψ ∥ 2 gives the lower bound below. The upper bound follows from the LSI and the identity for ∥ ∇ x ψ ∥ 2 \|\nabla_x\psi\|^2 ∥ ∇ x ψ ∥ 2 in (47) :
∥ ψ ∥ 2 log ∥ ψ ∥ 2 ≤ Ent μ x ( ψ 2 ) = ∫ ψ 2 log ψ 2 d μ x − ∥ ψ ∥ 2 log ∥ ψ ∥ 2 ≤ 2 a C L S I D a ( f S ) . (48) \|\psi\|^2\log\|\psi\|^2\leq\operatorname{Ent}_{\mu_x}(\psi^2)=\int\psi^2\log\psi^2\,d\mu_x-\|\psi\|^2\log\|\psi\|^2\leq\frac{2a}{C_{\mathrm{LSI}}}\mathcal{D}_a(f_S). \tag*{(48)} ∥ ψ ∥ 2 log ∥ ψ ∥ 2 ≤ Ent μ x ( ψ 2 ) = ∫ ψ 2 log ψ 2 d μ x − ∥ ψ ∥ 2 log ∥ ψ ∥ 2 ≤ C LSI 2 a D a ( f S ) . (48)
The convexity of u log u u\log u u log u , the identity for ∥ ψ ∥ 2 \|\psi\|^2 ∥ ψ ∥ 2 in (47) , and (48) give
( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) ≤ ∥ ψ ∥ 2 log ∥ ψ ∥ 2 + [ 1 + log ( 1 + ∥ f S ∥ 2 ) ] D a ( f S ) ≤ [ 2 a C L S I + 1 + log ( 1 + ∥ f S ∥ 2 ) ] D a ( f S ) . \begin{aligned}
(1+\|f_S\|^2)\log(1+\|f_S\|^2)\leq\|\psi\|^2\log\|\psi\|^2+[1+\log(1+\|f_S\|^2)]\mathcal{D}_a(f_S) \\
&\leq\left[\frac{2a}{C_{\mathrm{LSI}}}+1+\log(1+\|f_S\|^2)\right]\mathcal{D}_a(f_S).
\end{aligned} ( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) ≤ ∥ ψ ∥ 2 log ∥ ψ ∥ 2 + [ 1 + log ( 1 + ∥ f S ∥ 2 )] D a ( f S ) ≤ [ C LSI 2 a + 1 + log ( 1 + ∥ f S ∥ 2 ) ] D a ( f S ) .
Rearranging proves (45) . □
Proofs of the sampler-specific estimates
We now prove Lemma 3.3 for each sampler. All calculations are initially on test functions and extend to the resolvent functions by standard approximation.
The Bochner identity, a weighted estimate, and Gaussian moments
The integrated Bochner identity [20 (31)] reads
∥ L 0 ϕ ∥ 2 = ∥ ∇ x 2 ϕ ∥ 2 + ∫ ∇ x 2 U [ ∇ x ϕ , ∇ x ϕ ] d μ x . (49) \|\mathcal{L}_0\phi\|^2=\|\nabla_x^2\phi\|^2+\int\nabla_x^2U[\nabla_x\phi,\nabla_x\phi]\,d\mu_x. \tag*{(49)} ∥ L 0 ϕ ∥ 2 = ∥ ∇ x 2 ϕ ∥ 2 + ∫ ∇ x 2 U [ ∇ x ϕ , ∇ x ϕ ] d μ x . (49)
The lower Hessian bound therefore gives
∥ ∇ x 2 ϕ ∥ 2 ≤ ∥ L 0 ϕ ∥ 2 + ( − α ) + ∥ ∇ x ϕ ∥ 2 . (50) \|\nabla_x^2\phi\|^2\leq\|\mathcal{L}_0\phi\|^2+(-\alpha)_+\|\nabla_x\phi\|^2. \tag*{(50)} ∥ ∇ x 2 ϕ ∥ 2 ≤ ∥ L 0 ϕ ∥ 2 + ( − α ) + ∥ ∇ x ϕ ∥ 2 . (50)
The additional term records the contribution of negative curvature. We retain it in each sampler-specific estimate below; it vanishes when α ≥ 0 \alpha\geq0 α ≥ 0 . Together with (38) , this estimate applies for every a > 0 a>0 a > 0 , without a restriction a > ( − α ) + a>(-\alpha)_+ a > ( − α ) + .
When β < ∞ \beta<\infty β < ∞ , the two PDMPs will use the same weighted coordinate estimate. For u ∈ C c ∞ ( R d ) u\in C^\infty_c(\mathbb{R}^d) u ∈ C c ∞ ( R d ) and each i i i ,
∥ ( ∂ x i U ) u ∥ 2 ≤ 2 β ∥ u ∥ 2 + 4 ∥ ∂ x i u ∥ 2 . (51) \|(\partial_{x_i}U)u\|^2\leq2\beta\|u\|^2+4\|\partial_{x_i}u\|^2. \tag*{(51)} ∥ ( ∂ x i U ) u ∥ 2 ≤ 2 β ∥ u ∥ 2 + 4∥ ∂ x i u ∥ 2 . (51)
Integration by parts and Young’s inequality give
∥ ( ∂ x i U ) u ∥ 2 = ∫ ( ∂ x i x i U ) u 2 d μ x + 2 ∫ ( ∂ x i U ) u ∂ x i u d μ x ≤ β ∥ u ∥ 2 + 1 2 ∥ ( ∂ x i U ) u ∥ 2 + 2 ∥ ∂ x i u ∥ 2 . \|(\partial_{x_i}U)u\|^2 = \int(\partial_{x_i x_i}U)u^2\,d\mu_x + 2\int(\partial_{x_i}U)u\partial_{x_i}u\,d\mu_x
\le\beta\|u\|^2 + \frac{1}{2}\|(\partial_{x_i}U)u\|^2 + 2\|\partial_{x_i}u\|^2. ∥ ( ∂ x i U ) u ∥ 2 = ∫ ( ∂ x i x i U ) u 2 d μ x + 2 ∫ ( ∂ x i U ) u ∂ x i u d μ x ≤ β ∥ u ∥ 2 + 2 1 ∥ ( ∂ x i U ) u ∥ 2 + 2∥ ∂ x i u ∥ 2 .
Absorbing the repeated term proves (51) .
We use the elementary Gaussian moment identities
∫ v i v j d μ v = δ i j , ∫ v i v j v k v l d μ v = δ i j δ k l + δ i k δ j l + δ i l δ j k . \int v_i v_j\,d\mu_v=\delta_{ij},\qquad\int v_i v_j v_k v_l\,d\mu_v=\delta_{ij}\delta_{kl}+\delta_{ik}\delta_{jl}+\delta_{il}\delta_{jk}. ∫ v i v j d μ v = δ ij , ∫ v i v j v k v l d μ v = δ ij δ k l + δ ik δ j l + δ i l δ j k .
Since ∇ x 2 ϕ \nabla_x^2\phi ∇ x 2 ϕ is symmetric, for each x x x this implies
∫ ( v T ∇ x 2 ϕ v − Δ x ϕ ) 2 d μ v = ∑ i , j , k , l = 1 d ( ∂ x i x j ϕ ) ( ∂ x k x l ϕ ) ∫ ( v i v j − δ i j ) ( v k v l − δ k l ) d μ v = 2 ∑ i , j = 1 d ∣ ∂ x i x j ϕ ∣ 2 = 2 ∣ ∇ x 2 ϕ ∣ H S 2 . \int(v^\mathsf{T}\nabla_x^2\phi\,v-\Delta_x\phi)^2\,d\mu_v
= \sum_{i,j,k,l=1}^{d}(\partial_{x_i x_j}\phi)(\partial_{x_k x_l}\phi)\int(v_i v_j-\delta_{ij})(v_k v_l-\delta_{kl})\,d\mu_v
=2\sum_{i,j=1}^{d}|\partial_{x_i x_j}\phi|^2=2|\nabla_x^2\phi|_{\mathrm{HS}}^2. ∫ ( v T ∇ x 2 ϕ v − Δ x ϕ ) 2 d μ v = i , j , k , l = 1 ∑ d ( ∂ x i x j ϕ ) ( ∂ x k x l ϕ ) ∫ ( v i v j − δ ij ) ( v k v l − δ k l ) d μ v = 2 i , j = 1 ∑ d ∣ ∂ x i x j ϕ ∣ 2 = 2∣ ∇ x 2 ϕ ∣ HS 2 .
Likewise, ∫ ( v ⋅ ∇ x ϕ ) 2 d μ v = ∣ ∇ x ϕ ∣ 2 \int(v\cdot\nabla_x\phi)^2\,d\mu_v=|\nabla_x\phi|^2 ∫ ( v ⋅ ∇ x ϕ ) 2 d μ v = ∣ ∇ x ϕ ∣ 2 . For unit n n n , the identities ∫ ( v ⋅ n ) + 2 d μ v = 1 / 2 \int(v\cdot n)_+^2\,d\mu_v=1/2 ∫ ( v ⋅ n ) + 2 d μ v = 1/2 and ∫ ( v ⋅ n ) + 4 d μ v = 3 / 2 \int(v\cdot n)_+^4\,d\mu_v=3/2 ∫ ( v ⋅ n ) + 4 d μ v = 3/2 give
∫ ( 2 ( v ⋅ n ) + 2 − 1 ) 2 d μ v = 4 ⋅ 3 2 − 4 ⋅ 1 2 + 1 = 5. \int\left(2(v\cdot n)_+^2-1\right)^2\,d\mu_v=4\cdot\frac{3}{2}-4\cdot\frac{1}{2}+1=5. ∫ ( 2 ( v ⋅ n ) + 2 − 1 ) 2 d μ v = 4 ⋅ 2 3 − 4 ⋅ 2 1 + 1 = 5.
Estimates for underdamped Langevin dynamics
Proof of Lemma 3.3, ULD part. Applying each part of (3) to v ⋅ ∇ x ϕ v\cdot\nabla_x\phi v ⋅ ∇ x ϕ , which is linear in v v v , gives
( v ⋅ ∇ x ) ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v , (v\cdot\nabla_x)(v\cdot\nabla_x\phi)=v^\mathsf{T}\nabla_x^2\phi\,v, ( v ⋅ ∇ x ) ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v ,
( − ∇ U ⋅ ∇ v ) ( v ⋅ ∇ x ϕ ) = − ∇ U ⋅ ∇ x ϕ , (-\nabla U\cdot\nabla_v)(v\cdot\nabla_x\phi)=-\nabla U\cdot\nabla_x\phi, ( − ∇ U ⋅ ∇ v ) ( v ⋅ ∇ x ϕ ) = − ∇ U ⋅ ∇ x ϕ ,
( Δ v − v ⋅ ∇ v ) ( v ⋅ ∇ x ϕ ) = − v ⋅ ∇ x ϕ . (\Delta_v-v\cdot\nabla_v)(v\cdot\nabla_x\phi)=-v\cdot\nabla_x\phi. ( Δ v − v ⋅ ∇ v ) ( v ⋅ ∇ x ϕ ) = − v ⋅ ∇ x ϕ .
Since ∫ v i d μ v = 0 \int v_i\,d\mu_v=0 ∫ v i d μ v = 0 and ∫ v i v j d μ v = δ i j \int v_i v_j\,d\mu_v=\delta_{ij} ∫ v i v j d μ v = δ ij , averaging the sum proves (32) . Subtracting this average gives
( I − Π v ) L ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v − Δ x ϕ − γ v ⋅ ∇ x ϕ . (52) (I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)=v^\mathsf{T}\nabla_x^2\phi\,v-\Delta_x\phi-\gamma v\cdot\nabla_x\phi. \tag*{(52)} ( I − Π v ) L ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v − Δ x ϕ − γ v ⋅ ∇ x ϕ . (52)
In particular, the force term disappears under I − Π v I-\Pi_v I − Π v .
To estimate the pairing with f F f_F f F , integrate once in velocity. For each x x x , Gaussian integration by parts gives
∫ f F ( v i v j − δ i j ) d μ v = ∫ ∂ v i ( v j f F ) d μ v − δ i j ∫ f F d μ v = ∫ v j ∂ v i f d μ v , \int f_F(v_i v_j-\delta_{ij})\,d\mu_v=\int\partial_{v_i}(v_jf_F)\,d\mu_v-\delta_{ij}\int f_F\,d\mu_v=\int v_j\partial_{v_i}f\,d\mu_v, ∫ f F ( v i v j − δ ij ) d μ v = ∫ ∂ v i ( v j f F ) d μ v − δ ij ∫ f F d μ v = ∫ v j ∂ v i f d μ v ,
∫ f F v i d μ v = ∫ ∂ v i f d μ v . \int f_Fv_i\,d\mu_v=\int\partial_{v_i}f\,d\mu_v. ∫ f F v i d μ v = ∫ ∂ v i f d μ v .
Multiplying the first identity by ∂ x i x j ϕ \partial_{x_i x_j}\phi ∂ x i x j ϕ and the second by − γ ∂ x i ϕ -\gamma\partial_{x_i}\phi − γ ∂ x i ϕ , summing, and integrating in x x x shows that
⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ = ⟨ ∇ v f , ( ∇ x 2 ϕ ) v − γ ∇ x ϕ ⟩ . (53) \langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle=\langle\nabla_v f,(\nabla_x^2\phi)v-\gamma\nabla_x\phi\rangle. \tag*{(53)} ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ = ⟨ ∇ v f , ( ∇ x 2 ϕ ) v − γ ∇ x ϕ ⟩ . (53)
The Gaussian first and second moments also imply
∥ ( ∇ x 2 ϕ ) v − γ ∇ x ϕ ∥ 2 = ∫ ∑ i , j , k = 1 d ( ∂ x i x j ϕ ) ( ∂ x i x k ϕ ) v j v k d μ + γ 2 ∥ ∇ x ϕ ∥ 2 − 2 γ ∫ ∑ i , j = 1 d ( ∂ x i x j ϕ ) ( ∂ x i ϕ ) v j d μ = ∥ ∇ x 2 ϕ ∥ 2 + γ 2 ∥ ∇ x ϕ ∥ 2 . \begin{aligned}
\left\|(\nabla_x^2\phi)v-\gamma\nabla_x\phi\right\|^2
&=\int\sum_{i,j,k=1}^{d}(\partial_{x_i x_j}\phi)(\partial_{x_i x_k}\phi)v_jv_k\,\mathrm{d}\mu+\gamma^2\|\nabla_x\phi\|^2\\
&\quad-2\gamma\int\sum_{i,j=1}^{d}(\partial_{x_i x_j}\phi)(\partial_{x_i}\phi)v_j\,\mathrm{d}\mu\\
&=\|\nabla_x^2\phi\|^2+\gamma^2\|\nabla_x\phi\|^2.
\end{aligned} ( ∇ x 2 ϕ ) v − γ ∇ x ϕ 2 = ∫ i , j , k = 1 ∑ d ( ∂ x i x j ϕ ) ( ∂ x i x k ϕ ) v j v k d μ + γ 2 ∥ ∇ x ϕ ∥ 2 − 2 γ ∫ i , j = 1 ∑ d ( ∂ x i x j ϕ ) ( ∂ x i ϕ ) v j d μ = ∥ ∇ x 2 ϕ ∥ 2 + γ 2 ∥ ∇ x ϕ ∥ 2 .
The Hessian bound (50) , the resolvent estimates (38) , and Cauchy–Schwarz in (53) give
∣ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ⟩ ∣ ≤ ∥ ∇ v f ∥ ∥ ∇ x 2 ϕ ∥ 2 + γ 2 ∥ ∇ x ϕ ∥ 2 ≤ 1 + ( − α ) + + γ 2 a D a ( f S ) ∥ ∇ v f ∥ . \begin{aligned}
\left|\langle f_F,(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rangle\right|
\leq\|\nabla_v f\|\sqrt{\|\nabla_x^2\phi\|^2+\gamma^2\|\nabla_x\phi\|^2} \\
&\leq\sqrt{1+\frac{(-\alpha)_++\gamma^2}{a}}\sqrt{\mathcal{D}_a(f_S)}\|\nabla_v f\|.
\end{aligned} ∣ ⟨ f F , ( I − Π v ) L ( v ⋅ ∇ x ϕ )⟩ ∣ ≤ ∥ ∇ v f ∥ ∥ ∇ x 2 ϕ ∥ 2 + γ 2 ∥ ∇ x ϕ ∥ 2 ≤ 1 + a ( − α ) + + γ 2 D a ( f S ) ∥ ∇ v f ∥.
This proves (33) . □
Estimates for the bouncy particle sampler.
Proof of Lemma 3.3, BPS part. The reflection formula gives
( R x v ) ⋅ ∇ x ϕ − v ⋅ ∇ x ϕ = − 2 ( v ⋅ n ) ( n ⋅ ∇ x ϕ ) . (R_xv)\cdot\nabla_x\phi-v\cdot\nabla_x\phi=-2(v\cdot n)(n\cdot\nabla_x\phi). ( R x v ) ⋅ ∇ x ϕ − v ⋅ ∇ x ϕ = − 2 ( v ⋅ n ) ( n ⋅ ∇ x ϕ ) .
Since ∇ U = ∣ ∇ U ∣ n \nabla U=|\nabla U|n ∇ U = ∣∇ U ∣ n , multiplication by the bounce rate yields
( v ⋅ ∇ U ) + [ ( R x v ) ⋅ ∇ x ϕ − v ⋅ ∇ x ϕ ] = − 2 ( v ⋅ n ) + 2 ∇ U ⋅ ∇ x ϕ . (v\cdot\nabla U)_+\left[(R_xv)\cdot\nabla_x\phi-v\cdot\nabla_x\phi\right]=-2(v\cdot n)_+^2\nabla U\cdot\nabla_x\phi. ( v ⋅ ∇ U ) + [ ( R x v ) ⋅ ∇ x ϕ − v ⋅ ∇ x ϕ ] = − 2 ( v ⋅ n ) + 2 ∇ U ⋅ ∇ x ϕ .
The transport and refreshment terms are computed directly, giving
L ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v − 2 ( v ⋅ n ) + 2 ∇ U ⋅ ∇ x ϕ − γ v ⋅ ∇ x ϕ . (54) \mathcal{L}(v\cdot\nabla_x\phi)=v^\mathsf{T}\nabla_x^2\phi v-2(v\cdot n)_+^2\nabla U\cdot\nabla_x\phi-\gamma v\cdot\nabla_x\phi. \tag*{(54)} L ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v − 2 ( v ⋅ n ) + 2 ∇ U ⋅ ∇ x ϕ − γ v ⋅ ∇ x ϕ . (54)
Since ∫ ( v ⋅ n ) + 2 d μ v = 1 / 2 \int(v\cdot n)_+^2\,\mathrm{d}\mu_v=1/2 ∫ ( v ⋅ n ) + 2 d μ v = 1/2 for unit n n n (§ 3.3.1 ), the velocity average of (54) is Δ x ϕ − ∇ U ⋅ ∇ x ϕ \Delta_x\phi-\nabla U\cdot\nabla_x\phi Δ x ϕ − ∇ U ⋅ ∇ x ϕ . This proves (32) for BPS and yields
( I − Π v ) L ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v − Δ x ϕ − ( 2 ( v ⋅ n ) + 2 − 1 ) ∇ U ⋅ ∇ x ϕ − γ v ⋅ ∇ x ϕ . (55) (I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)=v^\mathsf{T}\nabla_x^2\phi v-\Delta_x\phi-\left(2(v\cdot n)_+^2-1\right)\nabla U\cdot\nabla_x\phi-\gamma v\cdot\nabla_x\phi. \tag*{(55)} ( I − Π v ) L ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v − Δ x ϕ − ( 2 ( v ⋅ n ) + 2 − 1 ) ∇ U ⋅ ∇ x ϕ − γ v ⋅ ∇ x ϕ . (55)
The Gaussian moments in § 3.3.1 control the three terms. Using ( r + s + t ) 2 ≤ 3 ( r 2 + s 2 + t 2 ) (r+s+t)^2\leq3(r^2+s^2+t^2) ( r + s + t ) 2 ≤ 3 ( r 2 + s 2 + t 2 ) in (55) and integrating proves
∥ ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ∥ 2 ≤ 6 ∥ ∇ x 2 ϕ ∥ 2 + 15 ∥ ∇ U ⋅ ∇ x ϕ ∥ 2 + 3 γ 2 ∥ ∇ x ϕ ∥ 2 . (56) \left\|(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\right\|^2\leq6\|\nabla_x^2\phi\|^2+15\|\nabla U\cdot\nabla_x\phi\|^2+3\gamma^2\|\nabla_x\phi\|^2. \tag*{(56)} ∥ ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ∥ 2 ≤ 6∥ ∇ x 2 ϕ ∥ 2 + 15∥∇ U ⋅ ∇ x ϕ ∥ 2 + 3 γ 2 ∥ ∇ x ϕ ∥ 2 . (56)
We bound the force term ∥ ∇ U ⋅ ∇ x ϕ ∥ 2 \|\nabla U\cdot\nabla_x\phi\|^2 ∥∇ U ⋅ ∇ x ϕ ∥ 2 in two ways, leading to (34) and (35) . For (34) , we use only the lower Hessian bound (50) . Pointwise,
∣ Δ x ϕ ∣ 2 = ∣ ∑ i = 1 d ∂ x i x i ϕ ∣ 2 ≤ d ∑ i = 1 d ∣ ∂ x i x i ϕ ∣ 2 ≤ d ∣ ∇ x 2 ϕ ∣ H S 2 . |\Delta_x\phi|^2=\left|\sum_{i=1}^{d}\partial_{x_i x_i}\phi\right|^2\leq d\sum_{i=1}^{d}|\partial_{x_i x_i}\phi|^2\leq d|\nabla_x^2\phi|_{\mathrm{HS}}^2. ∣ Δ x ϕ ∣ 2 = i = 1 ∑ d ∂ x i x i ϕ 2 ≤ d i = 1 ∑ d ∣ ∂ x i x i ϕ ∣ 2 ≤ d ∣ ∇ x 2 ϕ ∣ HS 2 .
Using ∇ U ⋅ ∇ x ϕ = Δ x ϕ − L 0 ϕ \nabla U \cdot\nabla_x\phi=\Delta_x\phi-\mathcal{L}_0\phi ∇ U ⋅ ∇ x ϕ = Δ x ϕ − L 0 ϕ , we obtain
∥ ∇ U ⋅ ∇ x ϕ ∥ 2 ≤ 2 ∥ Δ x ϕ ∥ 2 + 2 ∥ L 0 ϕ ∥ 2 ≤ 2 d ∥ ∇ x 2 ϕ ∥ 2 + 2 ∥ L 0 ϕ ∥ 2 ≤ 2 ( d + 1 ) ∥ L 0 ϕ ∥ 2 + 2 d ( − α ) + + ∥ ∇ x ϕ ∥ 2 . (57) \begin{aligned}
\lVert\nabla U\cdot\nabla_x\phi\rVert^2 &\le2\lVert\Delta_x\phi\rVert^2+2\lVert\mathcal{L}_0\phi\rVert^2\\
&\le2d\lVert\nabla_x^2\phi\rVert^2+2\lVert\mathcal{L}_0\phi\rVert^2\\
&\le2(d+1)\lVert\mathcal{L}_0\phi\rVert^2+2d(-\alpha)_++\lVert\nabla_x\phi\rVert^2. \tag*{(57)}
\end{aligned} ∥ ∇ U ⋅ ∇ x ϕ ∥ 2 ≤ 2 ∥ Δ x ϕ ∥ 2 + 2 ∥ L 0 ϕ ∥ 2 ≤ 2 d ∥ ∇ x 2 ϕ ∥ 2 + 2 ∥ L 0 ϕ ∥ 2 ≤ 2 ( d + 1 ) ∥ L 0 ϕ ∥ 2 + 2 d ( − α ) + + ∥ ∇ x ϕ ∥ 2 . (57)
Substituting in (56) , and then using (38) , gives
∥ ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ∥ 2 ≤ ( 30 d + 36 ) ∥ L 0 ϕ ∥ 2 + [ ( 30 d + 6 ) ( − α ) + + 3 γ 2 ] ∥ ∇ x ϕ ∥ 2 ≤ ( 66 d + ( 30 d + 6 ) ( − α ) + + 3 γ 2 a ) D a ( f S ) , (58) \begin{aligned}
\lVert(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rVert^2
&\le(30d+36)\lVert\mathcal{L}_0\phi\rVert^2\\
&\quad+[(30d+6)(-\alpha)_++3\gamma^2]\lVert\nabla_x\phi\rVert^2\\
&\le\left(66d+\frac{(30d+6)(-\alpha)_++3\gamma^2}{a}\right)\mathcal{D}_a(f_S), \tag*{(58)}
\end{aligned} ∥( I − Π v ) L ( v ⋅ ∇ x ϕ ) ∥ 2 ≤ ( 30 d + 36 ) ∥ L 0 ϕ ∥ 2 + [( 30 d + 6 ) ( − α ) + + 3 γ 2 ] ∥ ∇ x ϕ ∥ 2 ≤ ( 66 d + a ( 30 d + 6 ) ( − α ) + + 3 γ 2 ) D a ( f S ) , (58)
using d ≥ 1 d\ge1 d ≥ 1 in the last inequality.
For (35) , assume also β < ∞ \beta<\infty β < ∞ . The first inequality below is the pointwise Cauchy–Schwarz bound ∣ ∇ U ⋅ ∇ x ϕ ∣ 2 ≤ ∣ ∇ U ∣ 2 ∣ ∇ x ϕ ∣ 2 \lvert\nabla U\cdot\nabla_x\phi\rvert^2\le\lvert\nabla U\rvert^2\lvert\nabla_x\phi\rvert^2 ∣ ∇ U ⋅ ∇ x ϕ ∣ 2 ≤ ∣ ∇ U ∣ 2 ∣ ∇ x ϕ ∣ 2 . Then apply (51) with u = ∂ x j ϕ u=\partial_{x_j}\phi u = ∂ x j ϕ , sum over i , j i,j i , j , and use (50) :
∥ ∇ U ⋅ ∇ x ϕ ∥ 2 ≤ ∑ i , j = 1 d ∥ ( ∂ x i U ) ( ∂ x j ϕ ) ∥ 2 ≤ 2 β d ∥ ∇ x ϕ ∥ 2 + 4 ∥ ∇ x 2 ϕ ∥ 2 ≤ 4 ∥ L 0 ϕ ∥ 2 + [ 2 β d + 4 ( − α ) + ] ∥ ∇ x ϕ ∥ 2 . (59) \begin{aligned}
\lVert\nabla U\cdot\nabla_x\phi\rVert^2
&\le\sum_{i,j=1}^{d}\lVert(\partial_{x_i}U)(\partial_{x_j}\phi)\rVert^2\\
&\le2\beta d\lVert\nabla_x\phi\rVert^2+4\lVert\nabla_x^2\phi\rVert^2\\
&\le4\lVert\mathcal{L}_0\phi\rVert^2+[2\beta d+4(-\alpha)_+]\lVert\nabla_x\phi\rVert^2. \tag*{(59)}
\end{aligned} ∥ ∇ U ⋅ ∇ x ϕ ∥ 2 ≤ i , j = 1 ∑ d ∥( ∂ x i U ) ( ∂ x j ϕ ) ∥ 2 ≤ 2 β d ∥ ∇ x ϕ ∥ 2 + 4 ∥ ∇ x 2 ϕ ∥ 2 ≤ 4 ∥ L 0 ϕ ∥ 2 + [ 2 β d + 4 ( − α ) + ] ∥ ∇ x ϕ ∥ 2 . (59)
This time (56) and (38) give
∥ ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ∥ 2 ≤ 66 ∥ L 0 ϕ ∥ 2 + [ 66 ( − α ) + + 30 β d + 3 γ 2 ] ∥ ∇ x ϕ ∥ 2 ≤ ( 66 + 66 ( − α ) + + 30 β d + 3 γ 2 a ) D a ( f S ) . (60) \begin{aligned}
\lVert(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\rVert^2
&\le66\lVert\mathcal{L}_0\phi\rVert^2\\
&\quad+[66(-\alpha)_++30\beta d+3\gamma^2]\lVert\nabla_x\phi\rVert^2\\
&\le\left(66+\frac{66(-\alpha)_++30\beta d+3\gamma^2}{a}\right)\mathcal{D}_a(f_S). \tag*{(60)}
\end{aligned} ∥( I − Π v ) L ( v ⋅ ∇ x ϕ ) ∥ 2 ≤ 66 ∥ L 0 ϕ ∥ 2 + [ 66 ( − α ) + + 30 β d + 3 γ 2 ] ∥ ∇ x ϕ ∥ 2 ≤ ( 66 + a 66 ( − α ) + + 30 β d + 3 γ 2 ) D a ( f S ) . (60)
Thus Cauchy–Schwarz gives the cross-term estimates (34) and (35) . □
Estimates for the Zigzag sampler.
Proof of Lemma 3.3, ZZ part. For a coordinate flip,
( F i v ) ⋅ ∇ x ϕ − v ⋅ ∇ x ϕ = − 2 v i ∂ x i ϕ . (F_i v)\cdot\nabla_x\phi-v\cdot\nabla_x\phi=-2v_i\partial_{x_i}\phi. ( F i v ) ⋅ ∇ x ϕ − v ⋅ ∇ x ϕ = − 2 v i ∂ x i ϕ .
Consequently,
L ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v − 2 ∑ i = 1 d ( v i ∂ x i U ) + v i ∂ x i ϕ − γ v ⋅ ∇ x ϕ . (61) \mathcal{L}(v\cdot\nabla_x\phi)=v^\mathsf{T}\nabla_x^2\phi\,v-2\sum_{i=1}^{d}(v_i\partial_{x_i}U)_+v_i\partial_{x_i}\phi-\gamma v\cdot\nabla_x\phi. \tag*{(61)} L ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v − 2 i = 1 ∑ d ( v i ∂ x i U ) + v i ∂ x i ϕ − γ v ⋅ ∇ x ϕ . (61)
Evenness of the one-dimensional Gaussian gives, for each fixed x x x ,
∫ 2 v i ( v i ∂ x i U ) + d μ v = ∂ x i U , \int2v_i(v_i\partial_{x_i}U)_+\,\mathrm{d}\mu_v=\partial_{x_i}U, ∫ 2 v i ( v i ∂ x i U ) + d μ v = ∂ x i U ,
∫ [ 2 v i ( v i ∂ x i U ) + ] 2 d μ v = 6 ( ∂ x i U ) 2 . \int[2v_i(v_i\partial_{x_i}U)_+]^2\,\mathrm{d}\mu_v=6(\partial_{x_i}U)^2. ∫ [ 2 v i ( v i ∂ x i U ) + ] 2 d μ v = 6 ( ∂ x i U ) 2 .
Both identities also hold when ∂ x i U = 0 \partial_{x_i}U=0 ∂ x i U = 0 . The velocity average of (61) is therefore Δ x ϕ − ∇ U ⋅ ∇ x ϕ \Delta_x\phi-\nabla U\cdot\nabla_x\phi Δ x ϕ − ∇ U ⋅ ∇ x ϕ , proving (32) for ZZ. Subtracting this average yields
( I − Π v ) L ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v − Δ x ϕ − ∑ i = 1 d [ 2 v i ( v i ∂ x i U ) + − ∂ x i U ] ∂ x i ϕ − γ v ⋅ ∇ x ϕ . (62) (I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)=v^{\mathsf{T}}\nabla_x^2\phi\,v-\Delta_x\phi-\sum_{i=1}^{d}\left[2v_i(v_i\partial_{x_i}U)_+-\partial_{x_i}U\right]\partial_{x_i}\phi-\gamma v\cdot\nabla_x\phi. \tag*{(62)} ( I − Π v ) L ( v ⋅ ∇ x ϕ ) = v T ∇ x 2 ϕ v − Δ x ϕ − i = 1 ∑ d [ 2 v i ( v i ∂ x i U ) + − ∂ x i U ] ∂ x i ϕ − γ v ⋅ ∇ x ϕ . (62)
The summands in the second term have mean zero under μ v \mu_v μ v and depend on independent Gaussian coordinates. Thus the two moment identities above imply
∫ { ∑ i = 1 d [ 2 v i ( v i ∂ x i U ) + − ∂ x i U ] ∂ x i ϕ } 2 d μ v = 5 ∑ i = 1 d ( ∂ x i U ) 2 ( ∂ x i ϕ ) 2 . \int\left\{\sum_{i=1}^{d}\left[2v_i(v_i\partial_{x_i}U)_+-\partial_{x_i}U\right]\partial_{x_i}\phi\right\}^{2}\,\mathrm{d}\mu_v
=5\sum_{i=1}^{d}(\partial_{x_i}U)^2(\partial_{x_i}\phi)^2. ∫ { i = 1 ∑ d [ 2 v i ( v i ∂ x i U ) + − ∂ x i U ] ∂ x i ϕ } 2 d μ v = 5 i = 1 ∑ d ( ∂ x i U ) 2 ( ∂ x i ϕ ) 2 .
Using the quadratic Gaussian moment in Section 3.3.1 and ( r + s + t ) 2 ≤ 3 ( r 2 + s 2 + t 2 ) (r+s+t)^2\leq3(r^2+s^2+t^2) ( r + s + t ) 2 ≤ 3 ( r 2 + s 2 + t 2 ) in (62) , we obtain
∥ ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ∥ 2 ≤ 6 ∥ ∇ x 2 ϕ ∥ 2 + 15 ∑ i = 1 d ∥ ( ∂ x i U ) ( ∂ x i ϕ ) ∥ 2 + 3 γ 2 ∥ ∇ x ϕ ∥ 2 . (63) \left\|(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\right\|^2\leq6\left\|\nabla_x^2\phi\right\|^2+15\sum_{i=1}^{d}\left\|(\partial_{x_i}U)(\partial_{x_i}\phi)\right\|^2+3\gamma^2\left\|\nabla_x\phi\right\|^2. \tag*{(63)} ∥ ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ∥ 2 ≤ 6 ∇ x 2 ϕ 2 + 15 i = 1 ∑ d ∥ ( ∂ x i U ) ( ∂ x i ϕ ) ∥ 2 + 3 γ 2 ∥ ∇ x ϕ ∥ 2 . (63)
Here (51) is needed only with u = ∂ x i ϕ u=\partial_{x_i}\phi u = ∂ x i ϕ . Summing over i i i , rather than over i , j i,j i , j as for BPS, avoids the dimension factor:
∑ i = 1 d ∥ ( ∂ x i U ) ( ∂ x i ϕ ) ∥ 2 ≤ 2 β ∥ ∇ x ϕ ∥ 2 + 4 ∑ i = 1 d ∥ ∂ x i x i ϕ ∥ 2 \sum_{i=1}^{d}\left\|(\partial_{x_i}U)(\partial_{x_i}\phi)\right\|^2\leq2\beta\left\|\nabla_x\phi\right\|^2+4\sum_{i=1}^{d}\left\|\partial_{x_i x_i}\phi\right\|^2 i = 1 ∑ d ∥ ( ∂ x i U ) ( ∂ x i ϕ ) ∥ 2 ≤ 2 β ∥ ∇ x ϕ ∥ 2 + 4 i = 1 ∑ d ∥ ∂ x i x i ϕ ∥ 2
≤ 4 ∥ L 0 ϕ ∥ 2 + [ 2 β + 4 ( − α ) + ] ∥ ∇ x ϕ ∥ 2 . (64) \leq4\left\|\mathcal{L}_0\phi\right\|^2+\left[2\beta+4(-\alpha)_+\right]\left\|\nabla_x\phi\right\|^2. \tag*{(64)} ≤ 4 ∥ L 0 ϕ ∥ 2 + [ 2 β + 4 ( − α ) + ] ∥ ∇ x ϕ ∥ 2 . (64)
The last step uses ∑ i ∥ ∂ x i x i ϕ ∥ 2 ≤ ∥ ∇ x 2 ϕ ∥ 2 \sum_i\left\|\partial_{x_i x_i}\phi\right\|^2\leq\left\|\nabla_x^2\phi\right\|^2 ∑ i ∥ ∂ x i x i ϕ ∥ 2 ≤ ∇ x 2 ϕ 2 and (50) . Combining (63) , (64) , and (38) , we conclude that
∥ ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ∥ 2 ≤ 66 ∥ L 0 ϕ ∥ 2 + [ 66 ( − α ) + + 30 β + 3 γ 2 ] ∥ ∇ x ϕ ∥ 2 ≤ ( 66 + 66 ( − α ) + + 30 β + 3 γ 2 a ) D a ( f S ) . (65) \begin{aligned}
\left\|(I-\Pi_v)\mathcal{L}(v\cdot\nabla_x\phi)\right\|^2\leq66\left\|\mathcal{L}_0\phi\right\|^2+\left[66(-\alpha)_++30\beta+3\gamma^2\right]\left\|\nabla_x\phi\right\|^2 \\
&\leq\left(66+\frac{66(-\alpha)_++30\beta+3\gamma^2}{a}\right)\mathcal{D}_a(f_S). \tag*{(65)}
\end{aligned} ∥ ( I − Π v ) L ( v ⋅ ∇ x ϕ ) ∥ 2 ≤ 66 ∥ L 0 ϕ ∥ 2 + [ 66 ( − α ) + + 30 β + 3 γ 2 ] ∥ ∇ x ϕ ∥ 2 ≤ ( 66 + a 66 ( − α ) + + 30 β + 3 γ 2 ) D a ( f S ) . (65)
Hence Cauchy–Schwarz gives (36) .
Convergence and mixing-time bounds
We prove the decay estimate for the Rényi-2 divergence and the resulting mixing-time bounds.
Proof of Theorem 1.1 . We apply Proposition 3.4 to the spatial component f S , t f_{S,t} f S , t , which lies in L 0 2 ( μ x ) L^2_0(\mu_x) L 0 2 ( μ x ) and satisfies f S , t ≥ − 1 f_{S,t}\geq-1 f S , t ≥ − 1 along each dynamics. Orthogonal projection and the L 2 ( μ ) L^2(\mu) L 2 ( μ ) -contractivity of P t ∗ \mathcal{P}_t^* P t ∗ give
0 ≤ log ( 1 + ∥ f S ∥ 2 ) ≤ log ( 1 + ∥ f t ∥ 2 ) ≤ log ( 1 + ∥ f 0 ∥ 2 ) ≤ R . 0\leq\log(1+\|f_S\|^2)\leq\log(1+\|f_t\|^2)\leq\log(1+\|f_0\|^2)\leq R. 0 ≤ log ( 1 + ∥ f S ∥ 2 ) ≤ log ( 1 + ∥ f t ∥ 2 ) ≤ log ( 1 + ∥ f 0 ∥ 2 ) ≤ R .
Choose a = C L S I ( 1 + R ) a=C_{\mathrm{LSI}}(1+R) a = C LSI ( 1 + R ) to control the denominator in Proposition 3.4 uniformly in time:
2 a + C L S I ( 1 + log ( 1 + ∥ f S ∥ 2 ) ) ≤ 2 a + C L S I ( 1 + R ) = 3 a . 2a+C_{\mathrm{LSI}}(1+\log(1+\lVert f_S\rVert^2))\le2a+C_{\mathrm{LSI}}(1+R)=3a. 2 a + C LSI ( 1 + log ( 1 + ∥ f S ∥ 2 )) ≤ 2 a + C LSI ( 1 + R ) = 3 a .
Thus, at every time,
D a ( f S ) ≥ C L S I 3 a ( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) . (66) \mathcal{D}_a(f_S)\ge\frac{C_{\mathrm{LSI}}}{3a}(1+\lVert f_S\rVert^2)\log(1+\lVert f_S\rVert^2). \tag*{(66)} D a ( f S ) ≥ 3 a C LSI ( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) . (66)
We next combine the macroscopic and velocity dissipation into
d d t L a , ϵ ( f t ) ≤ − C L S I ϵ 6 a ( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) − γ 2 ∥ f F ∥ 2 ≤ − C L S I ϵ 6 a [ ( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) + ( 1 + R ) ∥ f F ∥ 2 ] ≤ − C L S I ϵ 6 a ( 1 + ∥ f t ∥ 2 ) log ( 1 + ∥ f t ∥ 2 ) . (67) \begin{aligned}
\frac{\mathrm{d}}{\mathrm{d}t}\mathcal{L}_{a,\epsilon}(f_t)
&\le-\frac{C_{\mathrm{LSI}}\epsilon}{6a}(1+\lVert f_S\rVert^2)\log(1+\lVert f_S\rVert^2)-\frac{\gamma}{2}\lVert f_F\rVert^2\\
&\le-\frac{C_{\mathrm{LSI}}\epsilon}{6a}\left[(1+\lVert f_S\rVert^2)\log(1+\lVert f_S\rVert^2)+(1+R)\lVert f_F\rVert^2\right]\\
&\le-\frac{C_{\mathrm{LSI}}\epsilon}{6a}(1+\lVert f_t\rVert^2)\log(1+\lVert f_t\rVert^2). \tag*{(67)}
\end{aligned} d t d L a , ϵ ( f t ) ≤ − 6 a C LSI ϵ ( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) − 2 γ ∥ f F ∥ 2 ≤ − 6 a C LSI ϵ [ ( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) + ( 1 + R ) ∥ f F ∥ 2 ] ≤ − 6 a C LSI ϵ ( 1 + ∥ f t ∥ 2 ) log ( 1 + ∥ f t ∥ 2 ) . (67)
The first inequality follows from Proposition 3.1 and (66) . The second holds because a = C L S I ( 1 + R ) a=C_{\mathrm{LSI}}(1+R) a = C LSI ( 1 + R ) and ϵ ≤ γ \epsilon\le\gamma ϵ ≤ γ give
C L S I ϵ 6 a ( 1 + R ) = ϵ 6 ≤ γ 2 . \frac{C_{\mathrm{LSI}}\epsilon}{6a}(1+R)=\frac{\epsilon}{6}\le\frac{\gamma}{2}. 6 a C LSI ϵ ( 1 + R ) = 6 ϵ ≤ 2 γ .
For the last inequality, orthogonality gives ∥ f ∥ 2 − ∥ f S ∥ 2 = ∥ f F ∥ 2 \lVert f\rVert^2-\lVert f_S\rVert^2=\lVert f_F\rVert^2 ∥ f ∥ 2 − ∥ f S ∥ 2 = ∥ f F ∥ 2 . Both 1 + ∥ f ∥ 2 1+\lVert f\rVert^2 1 + ∥ f ∥ 2 and 1 + ∥ f S ∥ 2 1+\lVert f_S\rVert^2 1 + ∥ f S ∥ 2 are at least one, and their logarithms are at most R R R , so
( 1 + ∥ f ∥ 2 ) log ( 1 + ∥ f ∥ 2 ) − ( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) = ∫ 1 + ∥ f S ∥ 2 1 + ∥ f ∥ 2 ( 1 + log s ) d s ≤ ( 1 + R ) ( ∥ f ∥ 2 − ∥ f S ∥ 2 ) = ( 1 + R ) ∥ f F ∥ 2 . \begin{aligned}
&(1+\lVert f\rVert^2)\log(1+\lVert f\rVert^2)-(1+\lVert f_S\rVert^2)\log(1+\lVert f_S\rVert^2)\\
&=\int_{1+\lVert f_S\rVert^2}^{1+\lVert f\rVert^2}(1+\log s)\,\mathrm{d}s\\
&\le(1+R)(\lVert f\rVert^2-\lVert f_S\rVert^2)=(1+R)\lVert f_F\rVert^2.
\end{aligned} ( 1 + ∥ f ∥ 2 ) log ( 1 + ∥ f ∥ 2 ) − ( 1 + ∥ f S ∥ 2 ) log ( 1 + ∥ f S ∥ 2 ) = ∫ 1 + ∥ f S ∥ 2 1 + ∥ f ∥ 2 ( 1 + log s ) d s ≤ ( 1 + R ) (∥ f ∥ 2 − ∥ f S ∥ 2 ) = ( 1 + R ) ∥ f F ∥ 2 .
It remains to turn (67) into decay of R 2 ( ϱ t ∣ μ ) = log ( 1 + ∥ f t ∥ 2 ) R_2(\varrho_t\mid\mu)=\log(1+\lVert f_t\rVert^2) R 2 ( ϱ t ∣ μ ) = log ( 1 + ∥ f t ∥ 2 ) . The right-hand side of (67) equals − C L S I ϵ 6 a ( 1 + ∥ f t ∥ 2 ) R 2 ( ϱ t ∣ μ ) -\frac{C_{\mathrm{LSI}}\epsilon}{6a}(1+\lVert f_t\rVert^2)R_2(\varrho_t\mid\mu) − 6 a C LSI ϵ ( 1 + ∥ f t ∥ 2 ) R 2 ( ϱ t ∣ μ ) , but the left-hand side is the derivative of the modified energy rather than of ∥ f t ∥ 2 \lVert f_t\rVert^2 ∥ f t ∥ 2 . We therefore replace ∥ f t ∥ 2 \lVert f_t\rVert^2 ∥ f t ∥ 2 in R 2 R_2 R 2 by a multiple of the modified energy and set
H ( t ) = log ( 1 + 4 3 L a , ϵ ( f t ) ) . H(t)=\log\left(1+\frac{4}{3}\mathcal{L}_{a,\epsilon}(f_t)\right). H ( t ) = log ( 1 + 3 4 L a , ϵ ( f t ) ) .
The factor 4 / 3 4/3 4/3 is chosen so that Lemma 2.3 gives
1 3 ∥ f t ∥ 2 ≤ 4 3 L a , ϵ ( f t ) ≤ ∥ f t ∥ 2 . \frac{1}{3}\lVert f_t\rVert^2\le\frac{4}{3}\mathcal{L}_{a,\epsilon}(f_t)\le\lVert f_t\rVert^2. 3 1 ∥ f t ∥ 2 ≤ 3 4 L a , ϵ ( f t ) ≤ ∥ f t ∥ 2 .
Since log ( 1 + x / 3 ) ≥ 1 3 log ( 1 + x ) \log(1+x/3)\ge\frac{1}{3}\log(1+x) log ( 1 + x /3 ) ≥ 3 1 log ( 1 + x ) for x ≥ 0 x\ge0 x ≥ 0 by concavity, it follows that
1 3 R 2 ( ϱ t ∣ μ ) ≤ H ( t ) ≤ R 2 ( ϱ t ∣ μ ) . (68) \frac{1}{3}R_2(\varrho_t\mid\mu)\le H(t)\le R_2(\varrho_t\mid\mu). \tag*{(68)} 3 1 R 2 ( ϱ t ∣ μ ) ≤ H ( t ) ≤ R 2 ( ϱ t ∣ μ ) . (68)
By (67) ,
H ′ ( t ) = 4 3 d d t L a , ϵ ( f t ) 1 + 4 3 L a , ϵ ( f t ) ≤ − 2 C L S I ϵ 9 a 1 + ∥ f t ∥ 2 1 + 4 3 L a , ϵ ( f t ) R 2 ( ϱ t ∣ μ ) . H'(t)=\frac{\frac{4}{3}\frac{\mathrm{d}}{\mathrm{d}t}\mathcal{L}_{a,\epsilon}(f_t)}{1+\frac{4}{3}\mathcal{L}_{a,\epsilon}(f_t)}
\le-\frac{2C_{\mathrm{LSI}}\epsilon}{9a}\frac{1+\lVert f_t\rVert^2}{1+\frac{4}{3}\mathcal{L}_{a,\epsilon}(f_t)}R_2(\varrho_t\mid\mu). H ′ ( t ) = 1 + 3 4 L a , ϵ ( f t ) 3 4 d t d L a , ϵ ( f t ) ≤ − 9 a 2 C LSI ϵ 1 + 3 4 L a , ϵ ( f t ) 1 + ∥ f t ∥ 2 R 2 ( ϱ t ∣ μ ) .
The fraction ( 1 + ∥ f t ∥ 2 ) / ( 1 + 4 3 L a , ϵ ( f t ) ) (1+\lVert f_t\rVert^2)/(1+\frac{4}{3}\mathcal{L}_{a,\epsilon}(f_t)) ( 1 + ∥ f t ∥ 2 ) / ( 1 + 3 4 L a , ϵ ( f t )) is at least one by the upper bound on 4 3 L a , ϵ ( f t ) \frac{4}{3}\mathcal{L}_{a,\epsilon}(f_t) 3 4 L a , ϵ ( f t ) , and R 2 ( ϱ t ∣ μ ) ≥ H ( t ) R_2(\varrho_t\mid\mu)\ge H(t) R 2 ( ϱ t ∣ μ ) ≥ H ( t ) by (68) . Hence
H ′ ( t ) ≤ − 2 C L S I ϵ 9 a H ( t ) . (69) H'(t)\le-\frac{2C_{\mathrm{LSI}}\epsilon}{9a}H(t). \tag*{(69)} H ′ ( t ) ≤ − 9 a 2 C LSI ϵ H ( t ) . (69)
Grönwall’s inequality for (69) , together with (68) , gives
R 2 ( ϱ t ∣ μ ) ≤ 3 H ( t ) ≤ 3 e − 2 C L S I ϵ t / ( 9 a ) H ( 0 ) ≤ 3 e − 2 C L S I ϵ t / ( 9 a ) R 2 ( ϱ 0 ∣ μ ) . R_2(\varrho_t \mid\mu) \le3H(t) \le3e^{-2C_{\mathrm{LSI}}\epsilon t/(9a)}H(0) \le3e^{-2C_{\mathrm{LSI}}\epsilon t/(9a)}R_2(\varrho_0 \mid\mu). R 2 ( ϱ t ∣ μ ) ≤ 3 H ( t ) ≤ 3 e − 2 C LSI ϵ t / ( 9 a ) H ( 0 ) ≤ 3 e − 2 C LSI ϵ t / ( 9 a ) R 2 ( ϱ 0 ∣ μ ) .
This is (8) with Λ = 2 C L S I ϵ / ( 9 a ) \Lambda= 2C_{\mathrm{LSI}}\epsilon/(9a) Λ = 2 C LSI ϵ / ( 9 a ) . Substituting (28) and a = C L S I ( 1 + R ) a = C_{\mathrm{LSI}}(1+R) a = C LSI ( 1 + R ) gives (9) –(11) . This proves the theorem when f 0 ∈ D ( L ∗ ) f_0 \in D(\mathcal{L}^*) f 0 ∈ D ( L ∗ ) , as required in Proposition 3.1 . Standard approximation and the L 2 ( μ ) L^2(\mu) L 2 ( μ ) -contractivity of P t ∗ \mathcal{P}_t^* P t ∗ extend it to all initial laws with finite Rényi-2 divergence. □
The choice of the shift drives the improved dependence on R R R . In the proof above, the rate is proportional to C L S I ϵ C_{\mathrm{LSI}}\epsilon C LSI ϵ divided by the denominator in Proposition 3.4 , which is at most 2 a + C L S I ( 1 + R ) 2a+C_{\mathrm{LSI}}(1+R) 2 a + C LSI ( 1 + R ) along the evolution. The shifted corrector has norm at most 1 / ( 2 a ) 1/(2\sqrt{a}) 1/ ( 2 a ) , so the modified energy remains comparable to the quadratic energy for every ϵ ≤ a \epsilon\le\sqrt{a} ϵ ≤ a (Lemma 2.3 ). For fixed curvature and dimension, (28) shows that a friction or refreshment rate γ \gamma γ of order a \sqrt{a} a makes a weight of order a \sqrt{a} a admissible. The rate is then of order C L S I a / ( a + C L S I R ) C_{\mathrm{LSI}}\sqrt{a}/(a+C_{\mathrm{LSI}}R) C LSI a / ( a + C LSI R ) for R ≥ 1 R \ge1 R ≥ 1 . In the linear estimate (44) , the factor C L S I / ( a + C L S I ) C_{\mathrm{LSI}}/(a+C_{\mathrm{LSI}}) C LSI / ( a + C LSI ) decreases as a a a grows, and it is best to take a = 0 a=0 a = 0 [20 Corollary 2] . With a a a of order C L S I C_{\mathrm{LSI}} C LSI , the rate above is of order C L S I / R \sqrt{C_{\mathrm{LSI}}/R} C LSI / R . Taking a = C L S I ( 1 + R ) a=C_{\mathrm{LSI}}(1+R) a = C LSI ( 1 + R ) raises it to order C L S I / R \sqrt{C_{\mathrm{LSI}}/R} C LSI / R , while the denominator becomes 3 C L S I ( 1 + R ) 3C_{\mathrm{LSI}}(1+R) 3 C LSI ( 1 + R ) , only a factor three above its zero-shift value C L S I ( 1 + R ) C_{\mathrm{LSI}}(1+R) C LSI ( 1 + R ) .
Proof of Corollary 1.2. We first prove the Rényi-2 bound, with γ \gamma γ given by (12) . We apply Theorem 1.1 in stages with successively halved divergence bounds, keeping γ \gamma γ fixed. For a divergence bound r r r , write the rate in Theorem 1.1 as
Λ ( r ) = C L S I γ c [ γ 2 + B ( r ) ] . \Lambda(r)=\frac{C_{\mathrm{LSI}}\gamma}{c[\gamma^2+B(r)]}. Λ ( r ) = c [ γ 2 + B ( r )] C LSI γ .
where c = 9 / 2 c=9/2 c = 9/2 for ULD and c = 450 c=450 c = 450 for BPS and ZZ. Here B ( r ) B(r) B ( r ) is the part of the corresponding bracket in (9) –(11) independent of γ 2 \gamma^2 γ 2 . It is an affine function of r r r with nonnegative coefficients for ULD and ZZ, and the minimum of two such functions for BPS. The choice (12) is precisely
γ 2 = B ( R / L ) . \gamma^2=B(R/\mathcal{L}). γ 2 = B ( R / L ) .
Set
N = ⌈ log 2 R η ⌉ , R j = 2 − j R ( 0 ≤ j ≤ N ) , t j = log 6 Λ ( R j ) ( 0 ≤ j < N ) . N=\left\lceil\log_2\frac{R}{\eta}\right\rceil,\qquad R_j=2^{-j}R\quad(0\le j\le N),\qquad t_j=\frac{\log6}{\Lambda(R_j)}\quad(0\le j<N). N = ⌈ log 2 η R ⌉ , R j = 2 − j R ( 0 ≤ j ≤ N ) , t j = Λ ( R j ) log 6 ( 0 ≤ j < N ) .
If the divergence at the start of stage j j j is at most R j R_j R j , Theorem 1.1 bounds it at the end by
3 e − Λ ( R j ) t j R j = R j + 1 . 3e^{-\Lambda(R_j)t_j}R_j=R_{j+1}. 3 e − Λ ( R j ) t j R j = R j + 1 .
The theorem applies at each endpoint, including when R j < 1 R_j<1 R j < 1 . Induction therefore gives divergence at most R N ≤ η R_N\le\eta R N ≤ η at time ∑ j < N t j \sum_{j<N}t_j ∑ j < N t j , and hence at all later times, since ∥ f t ∥ \lVert f_t\rVert ∥ f t ∥ is nonincreasing.
Since R / η ≥ 2 R/\eta\ge2 R / η ≥ 2 , the elementary bounds
L log 6 ≤ N ≤ L log 2 , ∑ j = 0 N − 1 R j ≤ 2 R \frac{\mathcal{L}}{\log6}\le N\le\frac{\mathcal{L}}{\log2},\qquad\sum_{j=0}^{N-1}R_j\le2R log 6 L ≤ N ≤ log 2 L , j = 0 ∑ N − 1 R j ≤ 2 R
imply, for every affine function b ( r ) = b 0 + b 1 r b(r)=b_0+b_1r b ( r ) = b 0 + b 1 r with b 0 , b 1 ≥ 0 b_0,b_1\ge0 b 0 , b 1 ≥ 0 ,
∑ j = 0 N − 1 b ( R j ) ≤ N b 0 + 2 b 1 R ≤ 4 N b ( R / L ) . \sum_{j=0}^{N-1}b(R_j)\le Nb_0+2b_1R\le4N b(R/\mathcal{L}). j = 0 ∑ N − 1 b ( R j ) ≤ N b 0 + 2 b 1 R ≤ 4 N b ( R / L ) .
For BPS, apply this bound to each finite branch and take their minimum. In all three cases,
∑ j = 0 N − 1 B ( R j ) ≤ 4 N B ( R / L ) = 4 N γ 2 . \sum_{j=0}^{N-1} B(R_j) \le4N B(R/\mathcal{L}) = 4N\gamma^2. j = 0 ∑ N − 1 B ( R j ) ≤ 4 N B ( R / L ) = 4 N γ 2 .
It follows that
∑ j = 0 N − 1 t j ≤ c log 6 C L S I γ [ N γ 2 + ∑ j = 0 N − 1 B ( R j ) ] ≤ 5 c log 6 log 2 L γ C L S I . \sum_{j=0}^{N-1} t_j \le\frac{c\log6}{C_{\mathrm{LSI}}\gamma}\left[N\gamma^2+\sum_{j=0}^{N-1}B(R_j)\right]
\le\frac{5c\log6}{\log2}\frac{\mathcal{L}\gamma}{C_{\mathrm{LSI}}}. j = 0 ∑ N − 1 t j ≤ C LSI γ c log 6 [ N γ 2 + j = 0 ∑ N − 1 B ( R j ) ] ≤ log 2 5 c log 6 C LSI L γ .
The prefactor is below 60 for ULD and 6000 for BPS and ZZ. Substituting (12) proves the Rényi-2 bound.
For the total variation bound, η = 2 δ 2 \eta=2\delta^2 η = 2 δ 2 lies in ( 0 , 1 / 2 ] (0,1/2] ( 0 , 1/2 ] for 0 < δ ≤ 1 / 2 0<\delta\le1/2 0 < δ ≤ 1/2 , and (7) gives TV ( ϱ t , μ ) ≤ δ \operatorname{TV}(\varrho_t,\mu)\le\delta TV ( ϱ t , μ ) ≤ δ whenever R 2 ( ϱ t ∣ μ ) ≤ 2 δ 2 R_2(\varrho_t\mid\mu)\le2\delta^2 R 2 ( ϱ t ∣ μ ) ≤ 2 δ 2 .
Sharpness for the Rényi-2 divergence
This appendix proves Theorem 1.3 , which shows that the order R log R \sqrt{R\log R} R log R in Corollary 1.2 cannot be improved for the Rényi-2 divergence of BPS and ZZ.
Proof of Theorem 1.3 . We construct one initial law, independent of γ \gamma γ , with two obstructions to the decay of the Rényi-2 divergence. Fix γ > 0 \gamma>0 γ > 0 , and suppose that R 2 ( ϱ t ∣ μ ) ≤ 1 / 2 R_2(\varrho_t\mid\mu)\le1/2 R 2 ( ϱ t ∣ μ ) ≤ 1/2 at some time t ≥ 0 t\ge0 t ≥ 0 . Slow refreshment retains a concentrated speed distribution, which gives a lower bound on t t t of order R / γ R/\gamma R / γ . Frequent refreshment delays the return from a distant initial position, which gives a lower bound of order γ log R / α \gamma\log R/\alpha γ log R / α . The larger of the two bounds is at least their geometric mean, which does not depend on γ \gamma γ .
Initial law. For U ( x ) = α x 2 / 2 U(x)=\alpha x^2/2 U ( x ) = α x 2 /2 , the BPS reflection and the ZZ flip both send v v v to − v -v − v at rate ( α x v ) + (\alpha xv)_+ ( α xv ) + , so the two generators coincide. Put
y 0 = R / 2 , p = e − R / 2 , y_0=\sqrt{R/2}, \qquad p=e^{-R/2}, y 0 = R /2 , p = e − R /2 ,
and choose b > 0 b>0 b > 0 with μ v ( [ − b , b ] ) = p \mu_v([-b,b])=p μ v ([ − b , b ]) = p . Take independent initial variables with
α X 0 ∼ N ( y 0 , 1 ) , V 0 ∼ μ v ( ⋅ ∣ ∣ V ∣ ≤ b ) . \sqrt{\alpha}X_0\sim N(y_0,1), \qquad V_0\sim\mu_v(\mathord{\cdot}\mid|V|\le b). α X 0 ∼ N ( y 0 , 1 ) , V 0 ∼ μ v ( ⋅ ∣ ∣ V ∣ ≤ b ) .
The translated spatial Gaussian has Rényi-2 divergence y 0 2 = R / 2 y_0^2=R/2 y 0 2 = R /2 , and the conditioned velocity law has Rényi-2 divergence − log p = R / 2 -\log p=R/2 − log p = R /2 . The Rényi-2 divergence is additive for product laws, so R 2 ( ϱ 0 ∣ μ ) = R R_2(\varrho_0\mid\mu)=R R 2 ( ϱ 0 ∣ μ ) = R . By symmetry, E V 0 = 0 \mathbb{E}V_0=0 E V 0 = 0 , and the truncation to [ − b , b ] [-b,b] [ − b , b ] gives E V 0 2 ≤ 1 \mathbb{E}V_0^2\le1 E V 0 2 ≤ 1 .
Speed bound. Bounces and flips preserve ∣ V ∣ |V| ∣ V ∣ . Hence the law of ∣ V t ∣ |V_t| ∣ V t ∣ is the mixture of its initial law, with weight e − γ t e^{-\gamma t} e − γ t , and its equilibrium law, with weight 1 − e − γ t 1-e^{-\gamma t} 1 − e − γ t . Its density relative to the equilibrium speed law is
1 + e − γ t ( p − 1 1 [ 0 , b ] − 1 ) . 1+e^{-\gamma t}\left(p^{-1}\mathbf{1}_{[0,b]}-1\right). 1 + e − γ t ( p − 1 1 [ 0 , b ] − 1 ) .
Data processing for the map ( x , v ) ↦ ∣ v ∣ (x,v)\mapsto|v| ( x , v ) ↦ ∣ v ∣ gives
R 2 ( ϱ t ∣ μ ) ≥ log [ 1 + e − 2 γ t ( e R / 2 − 1 ) ] . (70) R_2(\varrho_t\mid\mu)\ge\log\left[1+e^{-2\gamma t}\left(e^{R/2}-1\right)\right]. \tag*{(70)} R 2 ( ϱ t ∣ μ ) ≥ log [ 1 + e − 2 γ t ( e R /2 − 1 ) ] . (70)
Since R 2 ( ϱ t ∣ μ ) ≤ 1 / 2 \mathrm{R}_2(\varrho_t \mid\mu) \le1/2 R 2 ( ϱ t ∣ μ ) ≤ 1/2 , (A.1) and R ≥ e 8 R \ge e^8 R ≥ e 8 imply
t ≥ 1 2 γ log e R / 2 − 1 e 1 / 2 − 1 ≥ R 4 γ . (71) t \ge\frac{1}{2\gamma}\log\frac{e^{R/2}-1}{e^{1/2}-1} \ge\frac{R}{4\gamma}. \tag*{(71)} t ≥ 2 γ 1 log e 1/2 − 1 e R /2 − 1 ≥ 4 γ R . (71)
The same mixture gives E V s 2 = 1 + e − γ s ( E V 0 2 − 1 ) ≤ 1 \mathbb{E}V_s^2=1+e^{-\gamma s}(\mathbb{E}V_0^2-1)\le1 E V s 2 = 1 + e − γ s ( E V 0 2 − 1 ) ≤ 1 for all s ≥ 0 s\ge0 s ≥ 0 .
Return-time bound. We measure the distance from the origin on a logarithmic scale by log ( 1 + α x 2 ) \log(1+\alpha x^2) log ( 1 + α x 2 ) , and add its transport derivative divided by γ \gamma γ , so that refreshment cancels that derivative. Define
Φ γ ( x , v ) = log ( 1 + α x 2 ) + 2 α x v γ ( 1 + α x 2 ) . \Phi_\gamma(x,v)=\log(1+\alpha x^2)+\frac{2\alpha xv}{\gamma(1+\alpha x^2)}. Φ γ ( x , v ) = log ( 1 + α x 2 ) + γ ( 1 + α x 2 ) 2 α xv .
Write y = α x y=\sqrt{\alpha}x y = α x . After this cancellation, the transport derivative of the velocity term and the bounce term give
L Φ γ ( x , v ) = α γ v 2 [ 2 ( 1 − y 2 ) ( 1 + y 2 ) 2 − 4 y 2 1 + y 2 1 { y v > 0 } ] ≥ − 4 α γ v 2 . (72) \begin{aligned}
\mathcal{L}\Phi_\gamma(x,v)=\frac{\alpha}{\gamma}v^2\left[\frac{2(1-y^2)}{(1+y^2)^2}-\frac{4y^2}{1+y^2}\mathbf{1}_{\{yv>0\}}\right] \\
&\ge-\frac{4\alpha}{\gamma}v^2. \tag*{(72)}
\end{aligned} L Φ γ ( x , v ) = γ α v 2 [ ( 1 + y 2 ) 2 2 ( 1 − y 2 ) − 1 + y 2 4 y 2 1 { y v > 0 } ] ≥ − γ 4 α v 2 . (72)
The inequality holds because adding 4 to the bracket and replacing the indicator by 1 gives ( 6 + 2 y 2 ) / ( 1 + y 2 ) 2 ≥ 0 (6+2y^2)/(1+y^2)^2\ge0 ( 6 + 2 y 2 ) / ( 1 + y 2 ) 2 ≥ 0 . Dynkin’s formula and E V s 2 ≤ 1 \mathbb{E}V_s^2\le1 E V s 2 ≤ 1 yield
E Φ γ ( X t , V t ) ≥ E Φ γ ( X 0 , V 0 ) − 4 α t γ . (73) \mathbb{E}\Phi_\gamma(X_t,V_t)\ge\mathbb{E}\Phi_\gamma(X_0,V_0)-\frac{4\alpha t}{\gamma}. \tag*{(73)} E Φ γ ( X t , V t ) ≥ E Φ γ ( X 0 , V 0 ) − γ 4 α t . (73)
We first apply Dynkin’s formula with localization on a finite interval [ 0 , T ] [0,T] [ 0 , T ] . Bounces preserve speed, and the expected sum of squared refreshed velocities is γ T \gamma T γ T , so E sup s ≤ T ∣ V s ∣ 2 ≤ 1 + γ T \mathbb{E}\sup_{s\le T}|V_s|^2\le1+\gamma T E sup s ≤ T ∣ V s ∣ 2 ≤ 1 + γ T . The identity X s = X 0 + ∫ 0 s V r d r X_s=X_0+\int_0^sV_r\,\mathrm{d}r X s = X 0 + ∫ 0 s V r d r then gives E sup s ≤ T ∣ X s ∣ 2 < ∞ \mathbb{E}\sup_{s\le T}|X_s|^2<\infty E sup s ≤ T ∣ X s ∣ 2 < ∞ . Since Φ γ \Phi_\gamma Φ γ has at most linear growth and ∣ L Φ γ ∣ ≤ 4 α v 2 / γ |\mathcal{L}\Phi_\gamma|\le4\alpha v^2/\gamma ∣ L Φ γ ∣ ≤ 4 α v 2 / γ , these bounds justify removing the localization.
It remains to compare the initial and terminal values of E Φ γ \mathbb{E}\Phi_\gamma E Φ γ . The velocity term of Φ γ \Phi_\gamma Φ γ has initial mean zero. For Z ∼ N ( 0 , 1 ) Z\sim N(0,1) Z ∼ N ( 0 , 1 ) , the inequality 1 + y 0 2 ≤ 2 [ 1 + ( y 0 + Z ) 2 ] ( 1 + Z 2 ) 1+y_0^2\le2[1+(y_0+Z)^2](1+Z^2) 1 + y 0 2 ≤ 2 [ 1 + ( y 0 + Z ) 2 ] ( 1 + Z 2 ) and Jensen’s inequality give
E Φ γ ( X 0 , V 0 ) ≥ log ( 1 + R / 2 ) − 2 log 2. \mathbb{E}\Phi_\gamma(X_0,V_0)\ge\log(1+R/2)-2\log2. E Φ γ ( X 0 , V 0 ) ≥ log ( 1 + R /2 ) − 2 log 2.
At equilibrium, Jensen’s inequality gives ∫ Φ γ d μ ≤ log 2 \int\Phi_\gamma\,\mathrm{d}\mu\le\log2 ∫ Φ γ d μ ≤ log 2 . The Gaussian Poincaré inequality and ∣ 2 Z / ( 1 + Z 2 ) ∣ ≤ 1 |2Z/(1+Z^2)|\le1 ∣2 Z / ( 1 + Z 2 ) ∣ ≤ 1 bound the variance of the logarithmic term by 1. The velocity term has conditional mean zero given the position and variance at most α / γ 2 \alpha/\gamma^2 α / γ 2 , so
Var μ Φ γ ≤ 1 + α γ 2 . \operatorname{Var}_\mu\Phi_\gamma\le1+\frac{\alpha}{\gamma^2}. Var μ Φ γ ≤ 1 + γ 2 α .
Put ζ = e 1 / 2 − 1 < 1 \zeta=\sqrt{e^{1/2}-1}<1 ζ = e 1/2 − 1 < 1 . Since R 2 ( ϱ t ∣ μ ) ≤ 1 / 2 \mathrm{R}_2(\varrho_t\mid\mu)\le1/2 R 2 ( ϱ t ∣ μ ) ≤ 1/2 , we have χ 2 ( ϱ t ∣ μ ) ≤ ζ 2 \chi^2(\varrho_t\mid\mu)\le\zeta^2 χ 2 ( ϱ t ∣ μ ) ≤ ζ 2 , and Cauchy–Schwarz gives
E Φ γ ( X t , V t ) ≤ log 2 + ζ 1 + α / γ 2 . \mathbb{E}\Phi_\gamma(X_t,V_t)\le\log2+\zeta\sqrt{1+\alpha/\gamma^2}. E Φ γ ( X t , V t ) ≤ log 2 + ζ 1 + α / γ 2 .
Combining this with (A.4) and using 1 + α / γ 2 ≤ 1 + α / γ \sqrt{1+\alpha/\gamma^2}\le1+\sqrt{\alpha}/\gamma 1 + α / γ 2 ≤ 1 + α / γ yields
t + ζ 4 α ≥ γ 4 α [ log ( 1 + R / 2 ) − 3 log 2 − ζ ] . t+\frac{\zeta}{4\sqrt{\alpha}}\ge\frac{\gamma}{4\alpha}\left[\log(1+R/2)-3\log2-\zeta\right]. t + 4 α ζ ≥ 4 α γ [ log ( 1 + R /2 ) − 3 log 2 − ζ ] .
Since log R ≥ 8 \log R\ge8 log R ≥ 8 and 4 log 2 + 1 < 4 4\log2+1<4 4 log 2 + 1 < 4 , the bracket is at least 1 2 log R \frac{1}{2}\log R 2 1 log R .
Conclusion. Combining the last display with (A.2) gives
t + 1 4 α ≥ max { R 4 γ , γ log R 8 α } ≥ 1 α R log R 32 . t+\frac{1}{4\sqrt{\alpha}}\ge\max\left\{\frac{R}{4\gamma},\frac{\gamma\log R}{8\alpha}\right\}\ge\frac{1}{\sqrt{\alpha}}\sqrt{\frac{R\log R}{32}}. t + 4 α 1 ≥ max { 4 γ R , 8 α γ log R } ≥ α 1 32 R log R .
Hence t ≥ ( 16 α ) − 1 R log R t\ge(16\sqrt{\alpha})^{-1}\sqrt{R\log R} t ≥ ( 16 α ) − 1 R log R for R ≥ e 8 R\ge e^{8} R ≥ e 8 . Since γ > 0 \gamma>0 γ > 0 was arbitrary and the initial law does not depend on γ \gamma γ , this proves (14) . □
Appendix B. Lower bounds for the Zigzag sampler
The ZZ bound in Corollary 1.2 depends on the initial divergence through C L S I − 1 / 2 R C_{\mathrm{LSI}}^{-1/2}\sqrt{\mathcal{R}} C LSI − 1/2 R and on the upper Hessian bound through C L S I − 1 β L C_{\mathrm{LSI}}^{-1}\sqrt{\beta}\mathcal{L} C LSI − 1 β L . This appendix shows that, in dimension d ≥ 2 d\ge2 d ≥ 2 , neither dependence can be improved by more than a logarithmic factor, in the worst case over Gaussian targets and initial laws with bounded Rényi-2 divergence, uniformly in the refreshment rate. The restriction d ≥ 2 d\ge2 d ≥ 2 is needed for the dependence on β \beta β : in dimension one, BPS and ZZ coincide, so the β \beta β -free entry of (10) also bounds ZZ. The first example is an isotropic Gaussian target with an initial law displaced along a coordinate axis. The second is a family of two-dimensional Gaussian targets confined in a direction oblique to the coordinate axes; it also shows that strong convexity alone gives no uniform ZZ bound, in contrast with BPS.
Theorem B.1 (Dependence on the initial divergence). Let d ≥ 1 d\ge1 d ≥ 1 and α > 0 \alpha>0 α > 0 , set U ( x ) = α ∣ x ∣ 2 / 2 U(x)=\alpha|x|^{2}/2 U ( x ) = α ∣ x ∣ 2 /2 on R d \mathbb{R}^{d} R d , and write μ = N ( 0 , α − 1 I d ) ⊗ μ v \mu=N(0,\alpha^{-1}I_{d})\otimes\mu_{v} μ = N ( 0 , α − 1 I d ) ⊗ μ v , so that (2) holds with C L S I = α C_{\mathrm{LSI}}=\alpha C LSI = α . For R > 0 R>0 R > 0 , let
ϱ 0 = N ( R / α e 1 , α − 1 I d ) ⊗ μ v . \varrho_{0}=N(\sqrt{R/\alpha}\,e_{1},\alpha^{-1}I_{d})\otimes\mu_{v}. ϱ 0 = N ( R / α e 1 , α − 1 I d ) ⊗ μ v . Then R 2 ( ϱ 0 ∣ μ ) = R R_{2}(\varrho_{0}\mid\mu)=R R 2 ( ϱ 0 ∣ μ ) = R , and the law ϱ t \varrho_{t} ϱ t of ZZ with every refreshment rate γ > 0 \gamma>0 γ > 0 satisfies, for all t ≥ 0 t\ge0 t ≥ 0 ,
TV ( ϱ t , μ ) ≥ 1 2 ( 1 − e − R / 8 ) − 2 2 α π R t . (74) \operatorname{TV}(\varrho_{t},\mu)\ge\frac{1}{2}\left(1-e^{-R/8}\right)-2\sqrt{\frac{2\alpha}{\pi R}}\,t. \tag*{(74)} TV ( ϱ t , μ ) ≥ 2 1 ( 1 − e − R /8 ) − 2 π R 2 α t . (74) In particular, if R ≥ 16 R\ge16 R ≥ 16 , then TV ( ϱ t , μ ) > 1 / 4 \operatorname{TV}(\varrho_{t},\mu)>1/4 TV ( ϱ t , μ ) > 1/4 for 0 ≤ t ≤ 1 10 R / α 0\le t\le\frac{1}{10}\sqrt{R/\alpha} 0 ≤ t ≤ 10 1 R / α .
Proof. The position marginals of ϱ 0 \varrho_{0} ϱ 0 and μ \mu μ are Gaussians with the same covariance α − 1 I d \alpha^{-1}I_{d} α − 1 I d and with means R / α e 1 \sqrt{R/\alpha}\,e_{1} R / α e 1 and 0 0 0 , and the velocity marginals coincide. For two Gaussians with a common covariance Σ \Sigma Σ and means m m m and 0 0 0 , the Rényi-2 divergence equals m T Σ − 1 m m^{\mathsf{T}}\Sigma^{-1}m m T Σ − 1 m , so R 2 ( ϱ 0 ∣ μ ) = α ⋅ R / α = R R_{2}(\varrho_{0}\mid\mu)=\alpha\cdot R/\alpha=R R 2 ( ϱ 0 ∣ μ ) = α ⋅ R / α = R .
Let ( X t , V t ) (X_{t},V_{t}) ( X t , V t ) be the ZZ process with initial law ϱ 0 \varrho_{0} ϱ 0 . A flip changes the sign of one velocity coordinate and preserves its absolute value, and a refreshment redraws V V V from μ v \mu_{v} μ v , independently of the past. Hence ∣ V s , 1 ∣ |V_{s,1}| ∣ V s , 1 ∣ equals ∣ V 0 , 1 ∣ |V_{0,1}| ∣ V 0 , 1 ∣ if no refreshment occurs in [ 0 , s ] [0,s] [ 0 , s ] , and otherwise the absolute first coordinate of the last refreshed velocity. Both have the law of ∣ Z ∣ |Z| ∣ Z ∣ with Z ∼ N ( 0 , 1 ) Z\sim N(0,1) Z ∼ N ( 0 , 1 ) and are independent of the refreshment times, so E ∣ V s , 1 ∣ = 2 / π \mathbb{E}|V_{s,1}|=\sqrt{2/\pi} E ∣ V s , 1 ∣ = 2/ π for every s ≥ 0 s\ge0 s ≥ 0 , whatever the positions. Write Y t = α X t , 1 Y_{t}=\sqrt{\alpha}X_{t,1} Y t = α X t , 1 and D t = α ∫ 0 t ∣ V s , 1 ∣ d s D_{t}=\sqrt{\alpha}\int_{0}^{t}|V_{s,1}|\,\mathrm{d}s D t = α ∫ 0 t ∣ V s , 1 ∣ d s , so that Y t ≥ Y 0 − D t Y_{t}\ge Y_{0}-D_{t} Y t ≥ Y 0 − D t and E D t = 2 α / π t \mathbb{E}D_{t}=\sqrt{2\alpha/\pi}\,t E D t = 2 α / π t .
Consider the event A = { x ∈ R d : α x 1 ≥ R / 2 } A=\{x\in\mathbb{R}^{d}:\sqrt{\alpha}x_{1}\ge\sqrt{R}/2\} A = { x ∈ R d : α x 1 ≥ R /2 } . Under μ \mu μ , α x 1 ∼ N ( 0 , 1 ) \sqrt{\alpha}x_{1}\sim N(0,1) α x 1 ∼ N ( 0 , 1 ) , and the Gaussian tail bound gives μ ( A × R d ) ≤ 1 2 e − R / 8 \mu(A\times\mathbb{R}^{d})\le\frac{1}{2}e^{-R/8} μ ( A × R d ) ≤ 2 1 e − R /8 . Under ϱ t \varrho_{t} ϱ t , since Y 0 ∼ N ( R , 1 ) Y_{0}\sim N(\sqrt{R},1) Y 0 ∼ N ( R , 1 ) has median R \sqrt{R} R , Markov’s inequality gives
ϱ t ( A × R d ) ≥ P ( Y 0 ≥ R , D t ≤ R / 2 ) ≥ 1 2 − 2 E D t R = 1 2 − 2 2 α π R t . (75) \varrho_{t}(A\times\mathbb{R}^{d})\ge\mathbb{P}\left(Y_{0}\ge\sqrt{R},D_{t}\le\sqrt{R}/2\right)\ge\frac{1}{2}-\frac{2\mathbb{E}D_{t}}{\sqrt{R}}=\frac{1}{2}-2\sqrt{\frac{2\alpha}{\pi R}}\,t. \tag*{(75)} ϱ t ( A × R d ) ≥ P ( Y 0 ≥ R , D t ≤ R /2 ) ≥ 2 1 − R 2 E D t = 2 1 − 2 π R 2 α t . (75)
The difference of the two probabilities of A × R d A \times\mathbb{R}^{d} A × R d is a lower bound for the total variation distance, which proves (B.1). For R ≥ 16 R \ge16 R ≥ 16 and t ≤ 1 10 R / α t \le\frac{1}{10}\sqrt{R/\alpha} t ≤ 10 1 R / α , the right-hand side is at least 1 2 ( 1 − e − 2 ) − 1 5 2 / π \frac{1}{2}(1-e^{-2})-\frac{1}{5}\sqrt{2/\pi} 2 1 ( 1 − e − 2 ) − 5 1 2/ π , which exceeds 1 / 4 1/4 1/4 . □
For this target, Corollary 1.2 with β = C L S I = α \beta=C_{\mathrm{LSI}}=\alpha β = C LSI = α gives T 1 / 4 T V ≤ C α − 1 / 2 R log R T^{\mathrm{TV}}_{1/4} \le C\alpha^{-1/2}\sqrt{R\log R} T 1/4 TV ≤ C α − 1/2 R log R for a universal constant C C C , so the lower bound 1 10 R / α \frac{1}{10}\sqrt{R/\alpha} 10 1 R / α is sharp up to the factor log R \sqrt{\log R} log R . Theorem 1.3 shows that in Rényi-2 divergence this factor cannot be removed. In dimension one, the BPS and ZZ generators coincide, so Theorem B.1 also applies to BPS when d = 1 d=1 d = 1 . In higher dimensions, bounces preserve only the speed ∣ V ∣ \lvert V\rvert ∣ V ∣ , whose mean under μ v \mu_v μ v is at most d \sqrt{d} d , and the same argument gives for BPS only a lower bound of order R / ( α d ) \sqrt{R/(\alpha d)} R / ( α d ) .
Theorem B.2 (Dependence on the upper Hessian bound). For κ ≥ 1 \kappa\ge1 κ ≥ 1 , introduce the orthogonal coordinates
s = x 1 + x 2 2 , r = x 1 − x 2 2 , s=\frac{x_1+x_2}{\sqrt{2}}, \qquad r=\frac{x_1-x_2}{\sqrt{2}}, s = 2 x 1 + x 2 , r = 2 x 1 − x 2 , and let
U κ ( x ) = s 2 2 + κ r 2 2 , μ κ ( d x , d v ) ∝ e − U κ ( x ) d x μ v ( d v ) , μ v = N ( 0 , I 2 ) . (76) U_\kappa(x)=\frac{s^2}{2}+\frac{\kappa r^2}{2}, \qquad\mu_\kappa(dx,dv)\propto e^{-U_\kappa(x)}\,dx\,\mu_v(dv), \qquad\mu_v=N(0,I_2). \tag*{(76)} U κ ( x ) = 2 s 2 + 2 κ r 2 , μ κ ( d x , d v ) ∝ e − U κ ( x ) d x μ v ( d v ) , μ v = N ( 0 , I 2 ) . (76) These potentials satisfy I 2 ⪯ ∇ 2 U κ ⪯ κ I 2 I_2\preceq\nabla^2U_\kappa\preceq\kappa I_2 I 2 ⪯ ∇ 2 U κ ⪯ κ I 2 , and the position marginals of μ κ \mu_\kappa μ κ satisfy (2) with C L S I = 1 C_{\mathrm{LSI}}=1 C LSI = 1 . Let ϱ t κ , γ \varrho_t^{\kappa,\gamma} ϱ t κ , γ be the law of ZZ with potential U κ U_\kappa U κ , refreshment rate γ > 0 \gamma>0 γ > 0 , and initial law satisfying
f 0 = d ϱ 0 κ , γ d μ κ − 1 = 1 2 sin s , f_0=\frac{d\varrho_0^{\kappa,\gamma}}{d\mu_\kappa}-1=\frac{1}{2}\sin s, f 0 = d μ κ d ϱ 0 κ , γ − 1 = 2 1 sin s , and write f t = d ϱ t κ , γ / d μ κ − 1 f_t=d\varrho_t^{\kappa,\gamma}/d\mu_\kappa-1 f t = d ϱ t κ , γ / d μ κ − 1 . The initial Rényi-2 divergence and total variation distance are
R ∗ = log ( 1 + 1 − e − 2 8 ) > 0 , θ ∗ = 1 4 E ∣ sin Z ∣ > 1 10 , R_*=\log\left(1+\frac{1-e^{-2}}{8}\right)>0, \qquad\theta_*=\frac{1}{4}\mathbb{E}\lvert\sin Z\rvert>\frac{1}{10}, R ∗ = log ( 1 + 8 1 − e − 2 ) > 0 , θ ∗ = 4 1 E ∣ sin Z ∣ > 10 1 , where Z ∼ N ( 0 , 1 ) Z\sim N(0,1) Z ∼ N ( 0 , 1 ) . For every γ > 0 \gamma>0 γ > 0 and t ≥ 0 t\ge0 t ≥ 0 ,
∥ f t − f 0 ∥ L 2 ( μ κ ) 2 ≤ t κ [ 2 + log ( 1 + t κ ) ] . (77) \lVert f_t-f_0\rVert_{L^2(\mu_\kappa)}^2\le\frac{t}{\sqrt{\kappa}}\left[2+\log(1+t\sqrt{\kappa})\right]. \tag*{(77)} ∥ f t − f 0 ∥ L 2 ( μ κ ) 2 ≤ κ t [ 2 + log ( 1 + t κ ) ] . (77) Consequently, for every γ > 0 \gamma>0 γ > 0 ,
TV ( ϱ t κ , γ , μ κ ) ≥ θ ∗ 2 and R 2 ( ϱ t κ , γ ∣ μ κ ) ≥ R ∗ 2 for 0 ≤ t ≤ κ 500 log ( e κ ) . (78) \operatorname{TV}(\varrho_t^{\kappa,\gamma},\mu_\kappa)\ge\frac{\theta_*}{2}\qquad\text{and}\qquad R_2(\varrho_t^{\kappa,\gamma}\mid\mu_\kappa)\ge\frac{R_*}{2}\qquad\text{for }0\le t\le\frac{\sqrt{\kappa}}{500\log(e\kappa)}. \tag*{(78)} TV ( ϱ t κ , γ , μ κ ) ≥ 2 θ ∗ and R 2 ( ϱ t κ , γ ∣ μ κ ) ≥ 2 R ∗ for 0 ≤ t ≤ 500 log ( e κ ) κ . (78) The time scale in (B.4) tends to infinity as κ → ∞ \kappa\to\infty κ → ∞ , so no bound on the ZZ mixing time that is uniform over κ ≥ 1 \kappa\ge1 κ ≥ 1 can hold for this family, although d d d , C L S I C_{\mathrm{LSI}} C LSI , the strong-convexity constant, and the initial divergence are fixed.
Proof. The Hessian eigenvalues in the ( s , r ) (s,r) ( s , r ) coordinates are 1 1 1 and κ \kappa κ , so the curvature assertions and the LSI with C L S I = 1 C_{\mathrm{LSI}}=1 C LSI = 1 follow from strong convexity and the Bakry–Émery criterion [4 ] . Under μ κ \mu_\kappa μ κ , s s s and κ r \sqrt{\kappa}r κ r are independent standard Gaussians, which gives ∥ f 0 ∥ 2 = ( 1 − e − 2 ) / 8 \lVert f_0\rVert^2=(1-e^{-2})/8 ∥ f 0 ∥ 2 = ( 1 − e − 2 ) /8 and the values of R ∗ R_* R ∗ and θ ∗ \theta_* θ ∗ . The bound θ ∗ > 1 / 10 \theta_*>1/10 θ ∗ > 1/10 follows from E ∣ sin Z ∣ ≥ E sin 2 Z = ( 1 − e − 2 ) / 2 \mathbb{E}\lvert\sin Z\rvert\ge\mathbb{E}\sin^2 Z=(1-e^{-2})/2 E ∣ sin Z ∣ ≥ E sin 2 Z = ( 1 − e − 2 ) /2 . We prove (B.3) by showing that the initial spatial density changes little under the adjoint semigroup. The change is controlled by a resolvent of the symmetric part of the generator, whose spectral parameter is matched to the time horizon.
Fix κ ≥ 1 \kappa\ge1 κ ≥ 1 and γ > 0 \gamma> 0 γ > 0 , and write P t = e t L \mathcal{P}_t = e^{t\mathcal{L}} P t = e t L for the ZZ semigroup. All norms and inner products below are in L 2 ( μ κ ) L^2(\mu_\kappa) L 2 ( μ κ ) . On test functions, the symmetric part S = ( L + L ∗ ) / 2 \mathcal{S} = (\mathcal{L}+\mathcal{L}^*)/2 S = ( L + L ∗ ) /2 of the generator acts only on velocity:
S h = 1 2 ∑ i = 1 2 ∣ v i ∂ x i U κ ∣ [ h ( x , F i v ) − h ( x , v ) ] + γ ( Π v h − h ) . (79) \mathcal{S}h=\frac{1}{2}\sum_{i=1}^{2}|v_i\partial_{x_i}U_\kappa|\left[h(x,F_i v)-h(x,v)\right]+\gamma(\Pi_vh-h). \tag*{(79)} S h = 2 1 i = 1 ∑ 2 ∣ v i ∂ x i U κ ∣ [ h ( x , F i v ) − h ( x , v ) ] + γ ( Π v h − h ) . (79)
Its nonnegative quadratic form is
E ( h ) = 1 4 ∑ i = 1 2 ∫ ∣ v i ∂ x i U κ ∣ [ h ( x , F i v ) − h ( x , v ) ] 2 d μ κ + γ ∥ ( I − Π v ) h ∥ 2 . (80) \mathcal{E}(h)=\frac{1}{4}\sum_{i=1}^{2}\int|v_i\partial_{x_i}U_\kappa|\left[h(x,F_i v)-h(x,v)\right]^2\,\mathrm{d}\mu_\kappa+\gamma\|(I-\Pi_v)h\|^2. \tag*{(80)} E ( h ) = 4 1 i = 1 ∑ 2 ∫ ∣ v i ∂ x i U κ ∣ [ h ( x , F i v ) − h ( x , v ) ] 2 d μ κ + γ ∥ ( I − Π v ) h ∥ 2 . (80)
Write E ( h , k ) \mathcal{E}(h,k) E ( h , k ) for the associated bilinear form. The ZZ dissipation identity in Lemma 3.2, which holds without the zero-mean assumption, gives E ( h ) = − ⟨ h , L h ⟩ \mathcal{E}(h)=-\langle h,\mathcal{L}h\rangle E ( h ) = − ⟨ h , L h ⟩ for test functions h h h : the change of variables v ↦ F i v v\mapsto F_i v v ↦ F i v preserves μ κ \mu_\kappa μ κ and the squared jump and reverses the sign of v i ∂ x i U κ v_i\partial_{x_i}U_\kappa v i ∂ x i U κ , so the one-sided rates in the lemma may be replaced by the symmetric weights in (B.6). Graph-norm approximation extends this identity to h ∈ D ( L ) h\in D(\mathcal{L}) h ∈ D ( L ) . Consequently,
∫ 0 t E ( P τ h ) d τ = 1 2 ( ∥ h ∥ 2 − ∥ P t h ∥ 2 ) ≤ 1 2 ∥ h ∥ 2 , h ∈ D ( L ) . (81) \int_{0}^{t}\mathcal{E}(\mathcal{P}_\tau h)\,\mathrm{d}\tau=\frac{1}{2}\left(\|h\|^2-\|\mathcal{P}_t h\|^2\right)\le\frac{1}{2}\|h\|^2,\qquad h\in D(\mathcal{L}). \tag*{(81)} ∫ 0 t E ( P τ h ) d τ = 2 1 ( ∥ h ∥ 2 − ∥ P t h ∥ 2 ) ≤ 2 1 ∥ h ∥ 2 , h ∈ D ( L ) . (81)
A parametrized resolvent. The velocity observable ( v 1 + v 2 ) / 2 (v_1+v_2)/\sqrt{2} ( v 1 + v 2 ) / 2 has an explicit resolvent for S \mathcal{S} S . For a > 0 a>0 a > 0 , define
ξ a ( x , v ) = 1 2 ∑ i = 1 2 v i a + γ + ∣ v i ∂ x i U κ ( x ) ∣ . (82) \xi_a(x,v)=\frac{1}{\sqrt{2}}\sum_{i=1}^{2}\frac{v_i}{a+\gamma+|v_i\partial_{x_i}U_\kappa(x)|}. \tag*{(82)} ξ a ( x , v ) = 2 1 i = 1 ∑ 2 a + γ + ∣ v i ∂ x i U κ ( x ) ∣ v i . (82)
Each summand is odd in its own velocity coordinate and independent of the other. Thus Π v ξ a = 0 \Pi_v\xi_a=0 Π v ξ a = 0 , the flip F i F_i F i reverses the sign of the i i i th summand and fixes the other, and
( a − S ) ξ a = v 1 + v 2 2 . (83) (a-\mathcal{S})\xi_a=\frac{v_1+v_2}{\sqrt{2}}. \tag*{(83)} ( a − S ) ξ a = 2 v 1 + v 2 . (83)
Set
b κ ( a ) = 1 2 ∑ i = 1 2 ∫ v i 2 a + ∣ v i ∂ x i U κ ( x ) ∣ d μ κ . (84) b_\kappa(a)=\frac{1}{2}\sum_{i=1}^{2}\int\frac{v_i^2}{a+|v_i\partial_{x_i}U_\kappa(x)|}\,\mathrm{d}\mu_\kappa. \tag*{(84)} b κ ( a ) = 2 1 i = 1 ∑ 2 ∫ a + ∣ v i ∂ x i U κ ( x ) ∣ v i 2 d μ κ . (84)
Parity eliminates mixed velocity terms in the norm and in the form, and direct substitution gives
a ∥ ξ a ∥ 2 + E ( ξ a ) = 1 2 ∑ i = 1 2 ∫ v i 2 a + γ + ∣ v i ∂ x i U κ ( x ) ∣ d μ κ ≤ b κ ( a ) . (85) a\|\xi_a\|^2+\mathcal{E}(\xi_a)=\frac{1}{2}\sum_{i=1}^{2}\int\frac{v_i^2}{a+\gamma+|v_i\partial_{x_i}U_\kappa(x)|}\,\mathrm{d}\mu_\kappa\le b_\kappa(a). \tag*{(85)} a ∥ ξ a ∥ 2 + E ( ξ a ) = 2 1 i = 1 ∑ 2 ∫ a + γ + ∣ v i ∂ x i U κ ( x ) ∣ v i 2 d μ κ ≤ b κ ( a ) . (85)
Almost invariance of f 0 f_0 f 0 . As a function of x x x alone with bounded derivative, f 0 f_0 f 0 belongs to D ( L ) ∩ D ( L ∗ ) D(\mathcal{L})\cap D(\mathcal{L}^*) D ( L ) ∩ D ( L ∗ ) and satisfies L f 0 = v ⋅ ∇ x f 0 = − L ∗ f 0 \mathcal{L}f_0=v\cdot\nabla_xf_0=-\mathcal{L}^*f_0 L f 0 = v ⋅ ∇ x f 0 = − L ∗ f 0 . Put ω a = 1 2 cos ( s ) ξ a \omega_a=\frac{1}{2}\cos(s)\xi_a ω a = 2 1 cos ( s ) ξ a . Since S \mathcal{S} S acts only on velocity and cos 2 s ≤ 1 \cos^2s\le1 cos 2 s ≤ 1 ,
( a − S ) ω a = cos s 2 v 1 + v 2 2 = L f 0 = − L ∗ f 0 , a ∥ ω a ∥ 2 + E ( ω a ) ≤ b κ ( a ) 4 . (a-\mathcal{S})\omega_a=\frac{\cos s}{2}\frac{v_1+v_2}{\sqrt{2}}=\mathcal{L}f_0=-\mathcal{L}^*f_0,\qquad a\|\omega_a\|^2+\mathcal{E}(\omega_a)\le\frac{b_\kappa(a)}{4}. ( a − S ) ω a = 2 cos s 2 v 1 + v 2 = L f 0 = − L ∗ f 0 , a ∥ ω a ∥ 2 + E ( ω a ) ≤ 4 b κ ( a ) .
For test functions h h h , changing variables under each flip gives
⟨ ( a − S ) ω a , h ⟩ = a ⟨ ω a , h ⟩ + E ( ω a , h ) . \langle(a-\mathcal{S})\omega_a,h\rangle=a\langle\omega_a,h\rangle+\mathcal{E}(\omega_a,h). ⟨( a − S ) ω a , h ⟩ = a ⟨ ω a , h ⟩ + E ( ω a , h ) .
Graph-norm approximation extends this identity to h ∈ D ( L ) h\in D(\mathcal{L}) h ∈ D ( L ) ; since it involves only ω a \omega_a ω a and its velocity differences, ω a \omega_a ω a need not belong to D ( L ) D(\mathcal{L}) D ( L ) .
Duhamel’s formula and (B.7) imply, for h ∈ D ( L ) h \in D(\mathcal{L}) h ∈ D ( L ) ,
∣ ⟨ f t − f 0 , h ⟩ ∣ = ∣ ∫ 0 t [ a ⟨ ω a , P τ h ⟩ + E ( ω a , P τ h ) ] d τ ∣ ≤ ∥ h ∥ [ a t ∥ ω a ∥ + t 2 E ( ω a ) ] . \begin{aligned}
\left|\langle f_t-f_0,h\rangle\right|=\left|\int_0^t\left[a\langle\omega_a,\mathcal{P}_\tau h\rangle+\mathcal{E}(\omega_a,\mathcal{P}_\tau h)\right]\mathrm{d}\tau\right| \\
&\leq\|h\|\left[at\|\omega_a\|+\sqrt{\frac{t}{2}\mathcal{E}(\omega_a)}\right].
\end{aligned} ∣ ⟨ f t − f 0 , h ⟩ ∣ = ∫ 0 t [ a ⟨ ω a , P τ h ⟩ + E ( ω a , P τ h ) ] d τ ≤ ∥ h ∥ [ a t ∥ ω a ∥ + 2 t E ( ω a ) ] .
Here the first term uses L 2 L^2 L 2 contractivity, and the second uses Cauchy–Schwarz in time and in the form. Taking the supremum over the dense domain D ( L ) D(\mathcal{L}) D ( L ) and then applying Cauchy–Schwarz in R 2 \mathbb{R}^2 R 2 gives
∥ f t − f 0 ∥ 2 ≤ ( a t 2 + t 2 ) [ a ∥ ω a ∥ 2 + E ( ω a ) ] ≤ 1 4 ( a t 2 + t 2 ) b κ ( a ) . (86) \|f_t-f_0\|^2\leq\left(at^2+\frac{t}{2}\right)\left[a\|\omega_a\|^2+\mathcal{E}(\omega_a)\right]\leq\frac{1}{4}\left(at^2+\frac{t}{2}\right)b_\kappa(a). \tag*{(86)} ∥ f t − f 0 ∥ 2 ≤ ( a t 2 + 2 t ) [ a ∥ ω a ∥ 2 + E ( ω a ) ] ≤ 4 1 ( a t 2 + 2 t ) b κ ( a ) . (86)
The right-hand side is independent of γ \gamma γ .
Bound on b κ ( a ) b_\kappa(a) b κ ( a ) . Put y = κ r y=\sqrt{\kappa}r y = κ r , so that s s s and y y y are independent standard Gaussians under μ κ \mu_\kappa μ κ for every κ \kappa κ . Moreover,
∂ x 1 U κ = s + κ y 2 , ∂ x 2 U κ = s − κ y 2 . \partial_{x_1}U_\kappa=\frac{s+\sqrt{\kappa}y}{\sqrt{2}},\qquad\partial_{x_2}U_\kappa=\frac{s-\sqrt{\kappa}y}{\sqrt{2}}. ∂ x 1 U κ = 2 s + κ y , ∂ x 2 U κ = 2 s − κ y .
Each partial derivative is a centered Gaussian with variance σ κ 2 = ( 1 + κ ) / 2 \sigma_\kappa^2=(1+\kappa)/2 σ κ 2 = ( 1 + κ ) /2 , independent of v v v . Hence
b κ ( a ) = E V 2 a + σ κ ∣ V Z ∣ , b_\kappa(a)=\mathbb{E}\frac{V^2}{a+\sigma_\kappa|VZ|}, b κ ( a ) = E a + σ κ ∣ V Z ∣ V 2 ,
where V V V and Z Z Z are independent standard Gaussians. For c > 0 c>0 c > 0 , we split the integral over Z Z Z at ∣ Z ∣ = 1 |Z|=1 ∣ Z ∣ = 1 . On { ∣ Z ∣ ≤ 1 } \{|Z|\leq1\} { ∣ Z ∣ ≤ 1 } the Gaussian density is at most ( 2 π ) − 1 / 2 < 1 / 2 (2\pi)^{-1/2}<1/2 ( 2 π ) − 1/2 < 1/2 , and on { ∣ Z ∣ > 1 } \{|Z|>1\} { ∣ Z ∣ > 1 } we bound a + c ∣ Z ∣ a+c|Z| a + c ∣ Z ∣ below by c c c . Since P ( ∣ Z ∣ > 1 ) < 1 \mathbb{P}(|Z|>1)<1 P ( ∣ Z ∣ > 1 ) < 1 ,
E 1 a + c ∣ Z ∣ ≤ 1 c log ( 1 + c a ) + 1 c = 1 c [ 1 + log ( 1 + c a ) ] . \mathbb{E}\frac{1}{a+c|Z|}\leq\frac{1}{c}\log\left(1+\frac{c}{a}\right)+\frac{1}{c}=\frac{1}{c}\left[1+\log\left(1+\frac{c}{a}\right)\right]. E a + c ∣ Z ∣ 1 ≤ c 1 log ( 1 + a c ) + c 1 = c 1 [ 1 + log ( 1 + a c ) ] .
We condition on V V V and apply this bound with c = σ κ ∣ V ∣ c=\sigma_\kappa|V| c = σ κ ∣ V ∣ . Then log ( 1 + x y ) ≤ log ( 1 + x ) + log ( 1 + y ) \log(1+xy)\leq\log(1+x)+\log(1+y) log ( 1 + x y ) ≤ log ( 1 + x ) + log ( 1 + y ) for x , y ≥ 0 x,y\geq0 x , y ≥ 0 , E ∣ V ∣ ≤ 1 \mathbb{E}|V|\leq1 E ∣ V ∣ ≤ 1 , and ∣ V ∣ log ( 1 + ∣ V ∣ ) ≤ V 2 |V|\log(1+|V|)\leq V^2 ∣ V ∣ log ( 1 + ∣ V ∣ ) ≤ V 2 give
b κ ( a ) ≤ 1 σ κ E [ ∣ V ∣ ( 1 + log [ 1 + σ κ ∣ V ∣ a ] ) ] ≤ 2 + log ( 1 + σ κ / a ) σ κ . (87) b_\kappa(a)\leq\frac{1}{\sigma_\kappa}\mathbb{E}\left[|V|\left(1+\log\left[1+\frac{\sigma_\kappa|V|}{a}\right]\right)\right]\leq\frac{2+\log(1+\sigma_\kappa/a)}{\sigma_\kappa}. \tag*{(87)} b κ ( a ) ≤ σ κ 1 E [ ∣ V ∣ ( 1 + log [ 1 + a σ κ ∣ V ∣ ] ) ] ≤ σ κ 2 + log ( 1 + σ κ / a ) . (87)
Conclusion. The case t = 0 t=0 t = 0 is trivial. For t > 0 t>0 t > 0 , take a = 1 / t a=1/t a = 1/ t in (B.12) and (B.13). Since κ / 2 ≤ σ κ ≤ κ \sqrt{\kappa}/2\leq\sigma_\kappa\leq\sqrt{\kappa} κ /2 ≤ σ κ ≤ κ for κ ≥ 1 \kappa\geq1 κ ≥ 1 and 3 2 / 8 < 1 3\sqrt{2}/8<1 3 2 /8 < 1 ,
∥ f t − f 0 ∥ 2 ≤ 3 t κ [ 2 + log ( 1 + σ κ t ) ] ≤ t κ [ 2 + log ( 1 + t κ ) ] , \|f_t-f_0\|^2\leq\frac{3t}{\sqrt{\kappa}}\left[2+\log(1+\sigma_\kappa t)\right]\leq\frac{t}{\sqrt{\kappa}}\left[2+\log(1+t\sqrt{\kappa})\right], ∥ f t − f 0 ∥ 2 ≤ κ 3 t [ 2 + log ( 1 + σ κ t ) ] ≤ κ t [ 2 + log ( 1 + t κ ) ] ,
which is (B.3).
For (B.4), let 0 ≤ t ≤ κ / [ 500 log ( e κ ) ] 0\leq t\leq\sqrt{\kappa}/[500\log(e\kappa)] 0 ≤ t ≤ κ / [ 500 log ( e κ )] . Then t κ ≤ κ t\sqrt{\kappa}\leq\kappa t κ ≤ κ , so log ( 1 + t κ ) ≤ log ( e κ ) \log(1+t\sqrt{\kappa})\leq\log(e\kappa) log ( 1 + t κ ) ≤ log ( e κ ) , and (B.3) gives
∥ f t − f 0 ∥ 2 ≤ 2 + log ( e κ ) 500 log ( e κ ) ≤ 3 500 , so ∥ f t − f 0 ∥ < 0.078. \|f_t-f_0\|^2\leq\frac{2+\log(e\kappa)}{500\log(e\kappa)}\leq\frac{3}{500},
\qquad\text{so}\qquad\|f_t-f_0\|<0.078. ∥ f t − f 0 ∥ 2 ≤ 500 log ( e κ ) 2 + log ( e κ ) ≤ 500 3 , so ∥ f t − f 0 ∥ < 0.078.
Since ∥ f t − f 0 ∥ L 1 ( μ κ ) ≤ ∥ f t − f 0 ∥ \|f_t-f_0\|_{L^1(\mu_\kappa)}\leq\|f_t-f_0\| ∥ f t − f 0 ∥ L 1 ( μ κ ) ≤ ∥ f t − f 0 ∥ and θ ∗ > 1 / 10 \theta_*>1/10 θ ∗ > 1/10 ,
TV ( ϱ t κ , γ , μ κ ) ≥ θ ∗ − 1 2 ∥ f t − f 0 ∥ > θ ∗ − 0.039 > θ ∗ 2 . \operatorname{TV}(\varrho_t^{\kappa,\gamma},\mu_\kappa)\geq\theta_*-\frac{1}{2}\|f_t-f_0\|>\theta_*-0.039>\frac{\theta_*}{2}. TV ( ϱ t κ , γ , μ κ ) ≥ θ ∗ − 2 1 ∥ f t − f 0 ∥ > θ ∗ − 0.039 > 2 θ ∗ .
For the Rényi-2 divergence, ∥ f 0 ∥ 2 = ( 1 − e − 2 ) / 8 > 0.108 \lVert f_0\rVert^2=(1-e^{-2})/8>0.108 ∥ f 0 ∥ 2 = ( 1 − e − 2 ) /8 > 0.108 gives ∥ f t ∥ ≥ ∥ f 0 ∥ − ∥ f t − f 0 ∥ > 0.328 − 0.078 = 0.25 \lVert f_t\rVert\ge\lVert f_0\rVert-\lVert f_t-f_0\rVert>0.328-0.078=0.25 ∥ f t ∥ ≥ ∥ f 0 ∥ − ∥ f t − f 0 ∥ > 0.328 − 0.078 = 0.25 . Hence R 2 ( ϱ t γ , γ ? ∣ μ κ ) = log ( 1 + ∥ f t ∥ 2 ) > log ( 1.0625 ) > 0.06 \mathrm{R}_2(\varrho_t^{\gamma,\gamma?}\mid\mu_\kappa)=\log(1+\lVert f_t\rVert^2)>\log(1.0625)>0.06 R 2 ( ϱ t γ , γ ? ∣ μ κ ) = log ( 1 + ∥ f t ∥ 2 ) > log ( 1.0625 ) > 0.06 , while R ∗ < log ( 1.109 ) < 0.104 R_*<\log(1.109)<0.104 R ∗ < log ( 1.109 ) < 0.104 . This proves (B.4).
The two examples combine into a lower bound with the structure of the ZZ entry in (13) .
Corollary B.3 (Sharpness of the Zigzag bound). Let d ≥ 2 d\ge2 d ≥ 2 , 0 < C L S I ≤ β < ∞ 0<C_{\mathrm{LSI}}\le\beta<\infty 0 < C LSI ≤ β < ∞ , R ≥ 16 R\ge16 R ≥ 16 , and 0 < δ ≤ 1 / 20 0<\delta\le1/20 0 < δ ≤ 1/20 . There exists a potential U U U on R d \mathbb{R}^d R d with C L S I I d ⪯ ∇ 2 U ⪯ β I d C_{\mathrm{LSI}}I_d\preceq\nabla^2U\preceq\beta I_d C LSI I d ⪯ ∇ 2 U ⪯ β I d , so that (2) holds with constant C L S I C_{\mathrm{LSI}} C LSI , and an initial law ϱ 0 \varrho_0 ϱ 0 with R 2 ( ϱ 0 ∣ μ ) ≤ R \mathrm{R}_2(\varrho_0\mid\mu)\le R R 2 ( ϱ 0 ∣ μ ) ≤ R , such that ZZ with every refreshment rate γ > 0 \gamma>0 γ > 0 satisfies
T δ T V ≥ 1 20 R C L S I + 1 1000 β C L S I log ( e β / C L S I ) . (88) T_\delta^{\mathrm{TV}}\ge\frac{1}{20}\sqrt{\frac{R}{C_{\mathrm{LSI}}}+\frac{1}{1000}\frac{\sqrt{\beta}}{C_{\mathrm{LSI}}\log(e\beta/C_{\mathrm{LSI}})}}. \tag*{(88)} T δ TV ≥ 20 1 C LSI R + 1000 1 C LSI log ( e β / C LSI ) β . (88)
Proof. We construct two examples, the first with T δ T V ≥ t 1 = 1 10 R / C L S I T_\delta^{\mathrm{TV}}\ge t_1=\frac{1}{10}\sqrt{R/C_{\mathrm{LSI}}} T δ TV ≥ t 1 = 10 1 R / C LSI and the second with T δ T V ≥ t 2 = β 500 C L S I log ( e β / C L S I ) T_\delta^{\mathrm{TV}}\ge t_2=\frac{\sqrt{\beta}}{500C_{\mathrm{LSI}}\log(e\beta/C_{\mathrm{LSI}})} T δ TV ≥ t 2 = 500 C LSI l o g ( e β / C LSI ) β , each for every refreshment rate. We take the first example if t 1 ≥ t 2 t_1\ge t_2 t 1 ≥ t 2 and the second otherwise. This choice depends only on d d d , C L S I C_{\mathrm{LSI}} C LSI , β \beta β , and R R R , not on γ \gamma γ . The chosen example satisfies T δ T V ≥ max { t 1 , t 2 } ≥ ( t 1 + t 2 ) / 2 T_\delta^{\mathrm{TV}}\ge\max\{t_1,t_2\}\ge(t_1+t_2)/2 T δ TV ≥ max { t 1 , t 2 } ≥ ( t 1 + t 2 ) /2 for every γ \gamma γ , which is (B.14).
For the first, take U ( x ) = C L S I ∣ x ∣ 2 / 2 U(x)=C_{\mathrm{LSI}}\lvert x\rvert^2/2 U ( x ) = C LSI ∣ x ∣ 2 /2 and the initial law of Theorem B.1 with α = C L S I \alpha=C_{\mathrm{LSI}} α = C LSI . The Hessian is C L S I I d ⪯ β I d C_{\mathrm{LSI}}I_d\preceq\beta I_d C LSI I d ⪯ β I d , and R 2 ( ϱ 0 ∣ μ ) = R \mathrm{R}_2(\varrho_0\mid\mu)=R R 2 ( ϱ 0 ∣ μ ) = R . Since R ≥ 16 R\ge16 R ≥ 16 and δ ≤ 1 / 4 \delta\le1/4 δ ≤ 1/4 , Theorem B.1 gives T V ( ϱ t , μ ) > 1 / 4 ≥ δ \mathrm{TV}(\varrho_t,\mu)>1/4\ge\delta TV ( ϱ t , μ ) > 1/4 ≥ δ for t ≤ 1 10 R / C L S I t\le\frac{1}{10}\sqrt{R/C_{\mathrm{LSI}}} t ≤ 10 1 R / C LSI .
For the second, put κ = β / C L S I ≥ 1 \kappa=\beta/C_{\mathrm{LSI}}\ge1 κ = β / C LSI ≥ 1 . We first rescale. For c > 0 c>0 c > 0 and a potential W W W on R 2 \mathbb{R}^2 R 2 , let W c ( x ) = W ( c x ) W_c(x)=W(\sqrt{c}x) W c ( x ) = W ( c x ) . If ( X t , V t ) (X_t,V_t) ( X t , V t ) is ZZ for W W W with refreshment rate γ \gamma γ , then ( X c t / c , V c t ) (X_{\sqrt{c}t}/\sqrt{c},V_{\sqrt{c}t}) ( X c t / c , V c t ) is ZZ for W c W_c W c with refreshment rate c γ \sqrt{c}\gamma c γ : the position has derivative V c t V_{\sqrt{c}t} V c t , the flip rate of coordinate i i i at time t t t is c ( V c t , i ∂ i W ( X c t ) ) + = ( V c t , i ∂ i W c ( X c t / c ) ) + \sqrt{c}(V_{\sqrt{c}t,i}\partial_iW(X_{\sqrt{c}t}))_+=(V_{\sqrt{c}t,i}\partial_iW_c(X_{\sqrt{c}t}/\sqrt{c}))_+ c ( V c t , i ∂ i W ( X c t ) ) + = ( V c t , i ∂ i W c ( X c t / c ) ) + , and the refreshment rate is multiplied by c \sqrt{c} c . The map ( x , v ) ↦ ( x / c , v ) (x,v)\mapsto(x/\sqrt{c},v) ( x , v ) ↦ ( x / c , v ) sends the equilibrium of W W W to that of W c W_c W c and preserves total variation distances and Rényi divergences. Apply this with W = U κ W=U_\kappa W = U κ and c = C L S I c=C_{\mathrm{LSI}} c = C LSI . Since γ ↦ C L S I γ \gamma\mapsto\sqrt{C_{\mathrm{LSI}}}\gamma γ ↦ C LSI γ is a bijection of ( 0 , ∞ ) (0,\infty) ( 0 , ∞ ) , Theorem B.2 shows that ZZ for W C L S I W_{C_{\mathrm{LSI}}} W C LSI , with any refreshment rate and with the rescaled initial law, has total variation distance at least θ ∗ / 2 > 1 / 20 ≥ δ \theta_*/2>1/20\ge\delta θ ∗ /2 > 1/20 ≥ δ from equilibrium for 0 ≤ t ≤ κ / [ 500 C L S I log ( e κ ) ] 0\le t\le\sqrt{\kappa}/[500\sqrt{C_{\mathrm{LSI}}}\log(e\kappa)] 0 ≤ t ≤ κ / [ 500 C LSI log ( e κ )] , and κ / C L S I = β / C L S I \sqrt{\kappa}/\sqrt{C_{\mathrm{LSI}}}=\sqrt{\beta}/C_{\mathrm{LSI}} κ / C LSI = β / C LSI .
Now define, for x ∈ R d x\in\mathbb{R}^d x ∈ R d ,
U ( x ) = U κ ( C L S I ( x 1 , x 2 ) ) + C L S I 2 ∑ i = 3 d x i 2 U(x)=U_\kappa\bigl(\sqrt{C_{\mathrm{LSI}}}(x_1,x_2)\bigr)+\frac{C_{\mathrm{LSI}}}{2}\sum_{i=3}^d x_i^2 U ( x ) = U κ ( C LSI ( x 1 , x 2 ) ) + 2 C LSI i = 3 ∑ d x i 2
whose Hessian has eigenvalues C L S I C_{\mathrm{LSI}} C LSI and β \beta β , and let ϱ 0 \varrho_0 ϱ 0 be the product of the rescaled initial law in the variables ( x 1 , x 2 , v 1 , v 2 ) (x_1,x_2,v_1,v_2) ( x 1 , x 2 , v 1 , v 2 ) with the equilibrium law of the remaining coordinates. Rényi-2 divergence is additive for products, so R 2 ( ϱ 0 ∣ μ ) = R ∗ < 1 ≤ R \mathrm{R}_2(\varrho_0\mid\mu)=R_*<1\le R R 2 ( ϱ 0 ∣ μ ) = R ∗ < 1 ≤ R . For i ∈ { 1 , 2 } i\in\{1,2\} i ∈ { 1 , 2 } , the partial derivative ∂ x i U \partial_{x_i}U ∂ x i U depends only on ( x 1 , x 2 ) (x_1,x_2) ( x 1 , x 2 ) , and a refreshment redraws ( v 1 , v 2 ) (v_1,v_2) ( v 1 , v 2 ) from N ( 0 , I 2 ) \mathcal{N}(0,I_2) N ( 0 , I 2 ) . Hence ( X t , 1 , X t , 2 , V t , 1 , V t , 2 ) (X_{t,1},X_{t,2},V_{t,1},V_{t,2}) ( X t , 1 , X t , 2 , V t , 1 , V t , 2 ) is a ZZ process for W C L S I W_{C_{\mathrm{LSI}}} W C LSI with the same refreshment rate, and its law is the marginal of ϱ t \varrho_t ϱ t . Marginalization does not increase the total variation distance, so T V ( ϱ t , μ ) > δ \mathrm{TV}(\varrho_t,\mu)>\delta TV ( ϱ t , μ ) > δ for 0 ≤ t ≤ β / [ 500 C L S I log ( e β / C L S I ) ] 0\le t\le\sqrt{\beta}/[500C_{\mathrm{LSI}}\log(e\beta/C_{\mathrm{LSI}})] 0 ≤ t ≤ β / [ 500 C LSI log ( e β / C LSI )] .
For the parameters of Corollary B.3 , Corollary 1.2, with the refreshment rate chosen as in that corollary, gives
T δ T V ≤ 6000 L C L S I 1 + R L + β C L S I ≤ 6000 C L S I ( R L + 2 L β C L S I ) , L = log 3 R 2 δ 2 . T_{\delta}^{\mathrm{TV}} \le\frac{6000\mathcal{L}}{\sqrt{C_{\mathrm{LSI}}}}\sqrt{1+\frac{R}{\mathcal{L}}+\frac{\beta}{C_{\mathrm{LSI}}}} \le\frac{6000}{\sqrt{C_{\mathrm{LSI}}}}\left(\sqrt{R\mathcal{L}}+2\mathcal{L}\sqrt{\frac{\beta}{C_{\mathrm{LSI}}}}\right), \qquad\mathcal{L}=\log\frac{3R}{2\delta^{2}}. T δ TV ≤ C LSI 6000 L 1 + L R + C LSI β ≤ C LSI 6000 ( R L + 2 L C LSI β ) , L = log 2 δ 2 3 R .
where we used L ≤ L β / C L S I \mathcal{L}\le\mathcal{L}\sqrt{\beta/C_{\mathrm{LSI}}} L ≤ L β / C LSI . The ratio of this upper bound to the lower bound (B.14) is at most a universal constant times L log ( e β / C L S I ) \mathcal{L}\log(e\beta/C_{\mathrm{LSI}}) L log ( e β / C LSI ) . Hence, for d ≥ 2 d\ge2 d ≥ 2 , no bound on the ZZ mixing time in terms of d d d , C L S I C_{\mathrm{LSI}} C LSI , β \beta β , R R R , and δ \delta δ alone can improve on Corollary 1.2 by more than a factor logarithmic in R R R , 1 / δ 1/\delta 1/ δ , and β / C L S I \beta/C_{\mathrm{LSI}} β / C LSI . Letting β → ∞ \beta\to\infty β → ∞ with the other parameters fixed shows that strong convexity alone provides no uniform mixing bound for ZZ.
The lower bounds also hold for the position marginal, for which Corollary 1.2 gives the same upper bound by data processing. In Theorem B.1 , the event A × R d A\times\mathbb{R}^{d} A × R d depends only on the position. In Theorem B.2 , the initial density f 0 f_{0} f 0 depends only on x x x , so ∥ Π v f t − f 0 ∥ = ∥ Π v ( f t − f 0 ) ∥ ≤ ∥ f t − f 0 ∥ \|\Pi_{v}f_{t}-f_{0}\|=\|\Pi_{v}(f_{t}-f_{0})\|\le\|f_{t}-f_{0}\| ∥ Π v f t − f 0 ∥ = ∥ Π v ( f t − f 0 ) ∥ ≤ ∥ f t − f 0 ∥ , and the argument for (B.4) applies to Π v f t \Pi_{v}f_{t} Π v f t . The obstruction is therefore not an effect of slow velocity equilibration alone.
For the family of Theorem B.2 , the β \beta β -free entry of (10) gives a BPS bound uniform in κ \kappa κ , since C L S I = 1 C_{\mathrm{LSI}}=1 C LSI = 1 and d = 2 d=2 d = 2 are fixed. BPS reflects the velocity across ∇ U κ \nabla U_{\kappa} ∇ U κ rather than reversing coordinates. The valley component of the reflected velocity changes by an amount proportional to s / ∣ ∇ U κ ∣ s/|\nabla U_{\kappa}| s /∣∇ U κ ∣ , which is small wherever κ ∣ r ∣ ≫ ∣ s ∣ \kappa|r|\gg|s| κ ∣ r ∣ ≫ ∣ s ∣ , that is, for most of μ κ \mu_{\kappa} μ κ when κ \kappa κ is large. ZZ flips instead randomize the valley component at a rate that grows with κ \kappa κ . Theorem B.2 thus identifies a genuine difference between the two dynamics. The lower bounds of this appendix are worst-case statements over the stated classes of targets and initial laws. They do not assert failure of convergence for a fixed target, and they do not concern the Gaussian cold start specifically.
References
DEPARTMENT OF MATHEMATICS, DEPARTMENT OF PHYSICS, AND DEPARTMENT OF CHEMISTRY, DUKE UNIVERSITY Email address: jianfeng@math.duke.edu
DEPARTMENT OF MATHEMATICS, DUKE UNIVERSITY Email address: yinchen.luo@duke.edu