Sharp convergence rates for Langevin dynamics in the nonconvex setting

Xiang Cheng, Niladri S. Chatterji, Yasin Abbasi-Yadkori, Peter L. Bartlett, Michael I. Jordan

Introduction

We study the problem of sampling from a target distribution of the following form:

Our focus is on theoretical rates of convergence of sampling algorithms, including analysis of the dependence of these rates on the dimension dd. Much of the theory of convergence of sampling—for example, sampling based on Markov chain Monte Carlo (MCMC) algorithms—has focused on asymptotic convergence, and has stopped short of providing a detailed study of dimension dependence. In the allied field of optimization algorithms, a significant new literature has emerged in recent years on nonasymptotic rates, including tight characterizations of dimension dependence. The optimization literature, however, generally stops short of the kinds of inferential and decision-theoretic computations that are addressed by sampling, in domains such as Bayesian statistics (Robert and Casella 2013), bandit algorithms (Cèsa-Bianchi and Lugosi 2006) and adversarial online learning (Bubeck 2011; Abbasi et al. 2013).

In both optimization and sampling, while the classical theory focused on convex problems, recent work focuses on the more broadly useful setting of nonconvex problems. While general nonconvex problems are infeasible, it is possible to make reasonable assumptions that allow theory to proceed while still making contact with practice.

We will consider the class of MCMC algorithms that have access to the gradients of the potential, ∇U(⋅)\nabla U(\cdot). A particular algorithm of this kind that has received significant recent attention from theoreticians is the overdamped Langevin MCMC algorithm (Parisi 1981; Roberts and Tweedie 1996). The underlying first-order stochastic differential equation (henceforth SDE) is given by:

The second-order generalization of the overdamped Langevin diffusion is underdamped Langevin diffusion, which can be represented by the following SDE:

where λ1,λ2>0\lambda_{1},\lambda_{2}>0 are free parameters. This SDE can also be discretized appropriately to yield a corresponding MCMC algorithm (Algorithm 2). Second-order methods such as underdamped Langevin MCMC are particularly interesting as it has been previously observed both empirically (Neal 2011) and theoretically (Cheng et al. 2017; Mangoubi and Smith 2017) that these methods can be faster to converge than the classical first-order methods.

In this work, we show that it is possible to sample from p∗p^{*} in time polynomial in the dimension dd and the target accuracy ε\varepsilon (as measured in 11-Wasserstein distance). We also show that the convergence depends exponentially on the product LR2LR^{2}. Intuitively, LR2LR^{2} is a measure of the nonconvexity of UU. Our results establish rigorously that as long as the problem is not “too badly nonconvex,” sampling is provably tractable.

Our main results are presented in Theorem 2 and Theorem 3, and can be summarized informally as follows:

Given a potential UU that is LL-smooth everywhere and strongly-convex outside a ball of radius RR, we can output a sample from a distribution which is ε\varepsilon-close to p∗(x)∝exp⁡(−U(x))p^{*}(x)\propto\exp\left(-U(x)\right) in W1W_{1} distance by running O~(ecLR2d/ε2)\widetilde{\mathcal{O}}\left(e^{cLR^{2}}d/\varepsilon^{2}\right) steps of overdamped Langevin MCMC (Algorithm 1), or O~(ecLR2d/ε)\widetilde{\mathcal{O}}\left(e^{cLR^{2}}\sqrt{d}/\varepsilon\right) steps of underdamped Langevin MCMC (Algorithm 2). Here, cc is an explicit positive constant.

For the case of strongly convex UU, it has been shown by Cheng et al. 2017 that the iteration complexity of Algorithm 2 is O~(d/ε)\widetilde{\mathcal{O}}(\sqrt{d}/\varepsilon), improving quadratically upon the best known iteration complexity of O~(d/ε2)\widetilde{\mathcal{O}}(d/\varepsilon^{2}) for Algorithm 1 (Durmus and Moulines 2016). We will find this quadratic speed-up in dd and ε\varepsilon in our setting as well (see Theorem 2 versus Theorem 3).

A convergence rate for overdamped Langevin diffusion, under assumptions (A1) – (A3) (see Section 2.1) has been established by Eberle 2016, but the continuous-time diffusion studied in that paper is not implementable algorithmically. In a more algorithmic line of work, Dalalyan 2017 bounded the discretization error of overdamped Langevin MCMC, and provided the first nonasymptotic convergence rate of overdamped Langevin MCMC under log-concavity assumptions. This was followed by a sequence of papers in the strongly log-concave setting (Durmus and Moulines 2016; Cheng and Bartlett 2017; Dalalyan and Karagulyan 2017; Dwivedi et al. 2018, see, e.g.,).

Our result for overdamped Langevin MCMC is in line with this existing work; indeed, we combine the continuous-time convergence rate of Eberle 2016 with a variant of the discretization error analysis by Durmus and Moulines 2016. The final number of timesteps needed is O~(ecLR2d/ε2)\widetilde{\mathcal{O}}(e^{cLR^{2}}d/\varepsilon^{2}), which is expected, as the rate of Eberle 2016 is O(e−cLR2)\mathcal{O}(e^{-cLR^{2}}) (for the continuous-time process) and the iteration complexity established by Durmus and Moulines 2016 is O~(d/ε2)\widetilde{\mathcal{O}}(d/\varepsilon^{2}).

On the other hand, convergence of underdamped Langevin MCMC under (strongly) log-concave assumptions was first established by Cheng et al. 2017. Also very relevant to our results is the work of Eberle et al. 2017, who demonstrated a contraction property of the continuous-time process stated in Eq. (2). That result deals, however, with a much larger class of potential functions, and accordingly the distance to the invariant distribution scales exponentially with dimension dd. Our analysis yields a more favorable result by combining ideas from both Eberle et al. 2017 and Cheng et al. 2017, under new assumptions; see Section 4 for a full discussion.

Also noteworthy is the fact that the problem of sampling from non-log-concave distributions has been studied by Raginsky et al. 2017, but under weaker assumptions, with a worst-case convergence rate that is exponential in dd. In Xu et al. 2018, this technique is used to study the application of Stochastic Gradient Langevin Diffusion (and its variance-reduced version) to nonconvex optimization. Similarly, Durmus and Moulines 2017 analyze the overdamped Langevin MCMC algorithm under the assumption that UU is superlinear outside a ball. This is more general than our assumption of “strong convexity outside a ball”; in this setting, the authors prove a rate that is exponential in dimension. On the other hand, Ge et al. 2017 established a poly(d,1/ε)poly(d,1/\varepsilon) convergence rate for sampling from a distribution that is close to a mixture of Gaussians, where the mixture components have the same variance (which is subsumed by our assumptions).

Finally, there is a large class of sampling algorithms known as Hamiltonian Monte Carlo (HMC), which involve Hamiltonian dynamics in some form. We refer to Ma et al. 2015 for a survey of the results in this area. Among these, the variant studied in this paper (Algorithm 2), based on the discretization of the SDE in Eq. (2), has a natural physical interpretation as the evolution of a particle’s dynamics under a viscous force field. This model was first studied by Kramers 1940 in the context of chemical reactions. The continuous-time process has been studied extensively (Hérau 2002; Villani 2009; Eberle et al. 2017; Gorham et al. 2016; Baudoin 2016; Bolley et al. 2010; Calogero 2012; Dolbeault et al. 2015; Mischler and Mouhot 2014). Four recent papers—Mangoubi and Smith 2017, Lee and Vempala 2017, Mangoubi and Vishnoi 2018 and Deligiannidis et al. 2018—study the convergence rate of (variants of) HMC under log-concavity assumptions. In Eberle et al. 2019, the authors study the convergence of HMC on general metric state spaces. Bou-Rabee et al. 2018 study the convergence of HMC under assumptions similar to ours, and prove a convergence rate that depends on ecLR2e^{cLR^{2}} for some constant cc. We remark that the algorithm studied in this case is different from the underdamped Langevin MCMC algorithm, because of the incorporation of an accept-reject step.

Notation, definitions and assumptions

We make the following assumptions on the potential function UU:

The function has a stationary point at zero:

2 Coupling and Wasserstein distance

Overdamped Langevin diffusion

In this section, we study overdamped Langevin diffusion, given by the following stochastic differential equation (SDE):

It can be readily verified that the invariant distribution of the SDE is p∗(y)∝e−U(y)p^{*}(y)\propto e^{-U(y)}, which ensures that the marginal along yy is the distribution that we are interested in. Based on Eq. (3), we define the discretized overdamped Langevin diffusion as

where δ\delta is the step-size of the discretization and ⌊⋅⌋\lfloor\cdot\rfloor denotes the floor function.

Our first result, stated as Theorem 2, establishes the rate at which the distribution of the solution of Eq. (4) converges to p∗p^{*}. The SDE in Eq. (4) is implementable as Algorithm 1.

It can be verified that xiδx_{i\delta} in Algorithm 1 and the solution to the SDE in Eq. (4) at time t=iδt=i\delta have the same distribution. The following theorem establishes a convergence rate for Algorithm 1.

Assume that m≥exp⁡(−LR2/2)R2m\geq\frac{\exp{\left(-LR^{2}/2\right)}}{R^{2}}, and let 0<ε≤dR2d/m+R20<\varepsilon\leq\frac{dR^{2}}{\sqrt{d/m+R^{2}}} be the desired accuracy. Also let the initial point x(0)x^{(0)} be such that ∥x(0)∥2≤R\lVert x^{(0)}\rVert_{2}\leq R. Then if the step size scales as:

where pnδp_{n\delta} is the distribution of xnδx_{n\delta} in Algorithm 1 and the distribution p∗(y)∝e−U(y)p^{*}(y)\propto e^{-U(y)}.

For potentials where LR2LR^{2} is a constant, the number of iterations taken by overdamped MCMC scales as Ω~(d/ε2)\widetilde{\Omega}(d/\varepsilon^{2}). This matches the rate obtained in the strongly log-concave setting by Durmus and Moulines 2016.

Intuitively, LR2LR^{2} measures the extent of nonconvexity. When this quantity is large, it is possible for UU to contain numerous local minima that are deep. It is therefore reasonable that the runtime of the algorithm should be exponential in this quantity.

The assumption on the strong convexity parameter, mm, is made to simplify the presentation of the theorem. Note that this assumption is without loss of generality, since we can always take the radius RR to be sufficiently large in Assumption (A3). Similarly, our assumption on the target accuracy can also be easily removed, but we make this assumption in the interest of clarity.

The proof of Theorem 2 is relegated to Appendix C. The proof follows by carefully combining the continuous-time argument of Eberle 2016 together with the discretization bound of Durmus and Moulines 2016.

Underdamped Langevin diffusion

In this section, we present our results for underdamped Langevin diffusion. The underdamped Langevin diffusion is a second-order stochastic process described by the following SDE:

where κ=L/m\kappa=L/m is the condition number. Similar to the case of overdamped Langevin diffusion, it can be verified that the invariant distribution of the SDE is p∗(y,v)∝e−U(y)−L2cκ∥v∥22p^{*}(y,v)\propto e^{-U(y)-\frac{L}{2c_{\kappa}}\|v\|_{2}^{2}}. This ensures that the marginal along yy is the distribution that we are interested in. Based on the SDE in Eq. (5), we define the discretized underdamped Langevin diffusion as:

where δ\delta is the step size of discretization. The SDE in Eq. (7) is implementable as the following algorithm:

We show that the iterates at round ii of Algorithm 2 and the solution to the SDE in Eq. (7) at time t=iδt=i\delta have the same distribution (see Lemma 40 in Appendix H).

In Theorem 3, we establish a bound on the rate at which the distribution of the iterates produced by this algorithm converge to the target distribution p∗p^{*}.

Assume that m≥exp⁡(−6LR2)64R2m\geq\frac{\exp{\left(-6LR^{2}\right)}}{64R^{2}} and let 0<ε≤dR2d/m+R20<\varepsilon\leq\frac{dR^{2}}{\sqrt{d/m+R^{2}}} be the desired accuracy. Also let the initial point x(0)x^{(0)} be such that ∥x(0)∥2≤R\lVert x^{(0)}\rVert_{2}\leq R. Assume also that e72LR2≥2e^{72LR^{2}}\geq 2.

where pnδp_{n\delta} is the distribution of xnδx_{n\delta} and we have p∗(y)∝e−U(y)p^{*}(y)\propto e^{-U(y)}.

If we consider potentials for which LR2LR^{2} is a constant, the iteration complexity of underdamped Langevin MCMC grows as O~(d/ε)\widetilde{\mathcal{O}}(\sqrt{d}/\varepsilon), which is a quadratic improvement over the first-order overdamped Langevin MCMC algorithm. Again, the iteration complexity grows exponentially in LR2LR^{2} which is to be expected. As before, the condition on the strong convexity parameter and the target accuracy is made in the interest of clarity and can be removed.

The heart of the proof of this theorem is a somewhat intricate coupling argument. We begin by defining two processes, (xt,ut)(x_{t},u_{t}) and (yt,vt)(y_{t},v_{t}), and then couple them appropriately. The first set of variables, (xt,ut)(x_{t},u_{t}), represent a solution to the discretized SDE in Eq. (7). On the other hand, the variables (yt,vt)(y_{t},v_{t}) represent a solution of the continuous-time SDE in Eq. (5) with the initial conditions being (y0,v0)∼p∗(y,v)(y_{0},v_{0})\sim p^{*}(y,v). Thus the variables (yt,vt)(y_{t},v_{t}) evolve according to the invariant distribution for all t>0t>0. The noise that underlies both processes is coupled, and with an appropriate choice of a Lyapunov function we are able to demonstrate that the distributions of these variables converge in 11-Wasserstein distance.

We present the coupling construction and a proof sketch in the subsequent sections. We relegate most of the technical details to the appendix.

Additionally, let ν=1/poly(L,1/m,d,R,1/Cm)\nu=1/poly(L,1/m,d,R,1/{C_{m}}) be another small constant (see proof of Theorem 3 for the exact value). In designing our coupling, we ensure that certain values are only updated at intervals of size ν\nu. These are needed to ensure that the stochastic process that we work with is sufficiently regular.

We then choose ν\nu to be such that Tsyncν\frac{{T_{sync}}}{\nu} is a positive integer, and define the constant

This constant Cm{C_{m}} will be the rate at which our Lyapunov function contracts.

With these definitions in place we are ready to define a coupling between variables (xt,ut)(x_{t},u_{t}) that evolve according to the discretized process described in Eq. (11), and variables (yt,vt)(y_{t},v_{t}) that evolve according to the SDE in Eq. (13).

Let the initial conditions for these processes be given by,

Define a variable τt\tau_{t} that will be useful in determining how the noise underlying the processes is coupled. We initialize this variable as follows: τ0=0\tau_{0}=0, if ∥x0−y0∥22+∥x0−y0+u0−w0∥22≥5R\sqrt{{\left\|x_{0}-y_{0}\right\|}_{2}^{2}+{\left\|x_{0}-y_{0}+u_{0}-w_{0}\right\|}_{2}^{2}}\geq\sqrt{5}R, and τ0=−Tsync\tau_{0}=-{T_{sync}} otherwise.

Let AtA_{t} and BtB_{t} denote independent dd-dimensional Brownian motions. We then let the complete set of variables (xt,ut,yt,vt,τ⌊tν⌋){\left(x_{t},u_{t},y_{t},v_{t},\tau_{{\left\lfloor\frac{t}{\nu}\right\rfloor}}\right)} evolve according to the following stochastic dynamics:

where the functions M\mathcal{M}, γt\gamma_{t} and γˉt\bar{\gamma}_{t} are defined as follows:

and where for convenience we have defined

Second, when this indicator is equal to one, the processes are evolved by the same Brownian motion in the directions perpendicular to zt+wtz_{t}+w_{t}, and (roughly) by the reflected Brownian motion along the direction zt+wtz_{t}+w_{t}. This is called a reflection coupling between the two processes.

In the following lemma, we show that the variables (yt,vt)(y_{t},v_{t}) have the same marginal distributions as the solution to the SDE defined in Eq. (13).

The dynamics in defined by Eq. (13) and Eq. (14) is distributionally equivalent to the dynamics defined by Eq. (5).

We give the proof in Appendix H. It is easy to verify that (xt,ut)(x_{t},u_{t}) have the same marginal distribution as the solution to the SDE defined in Eq. (11) so we omit the proof.

From the dynamics in Eq. (14), we see that τk\tau_{k} is used for determining whether (xt,yt,ut,vt)(x_{t},y_{t},u_{t},v_{t}) evolves by synchronous or reflection coupling over the interval t∈[kν,(k+1)ν)t\in[k\nu,(k+1)\nu). From its definition in Eq. (17), we see that, roughly speaking, τk\tau_{k} is “the last time (up to kνk\nu) that (zt,wt)(z_{t},w_{t}) ends up outside the ball ∥zt∥22+∥zt+wt∥22=5R\sqrt{{\left\|z_{t}\right\|}_{2}^{2}+{\left\|z_{t}+w_{t}\right\|}_{2}^{2}}=\sqrt{5}R,” but with a caveat: we do not update the value of τk\tau_{k} more than once in a Tsync{T_{sync}} interval of time.

Let (Ω,Ft,P){\left(\Omega,\mathcal{F}_{t},P\right)} be the probability space, where Ft\mathcal{F}_{t} is the σ\sigma-algebra generated by (y0,v0)(y_{0},v_{0}), BsB_{s} and AsA_{s} for all s∈[0,t)s\in[0,t). In the following Lemma, we prove that (xt,ut,vt,yt,τ⌊tν⌋){\left(x_{t},u_{t},v_{t},y_{t},\tau_{{\left\lfloor\frac{t}{\nu}\right\rfloor}}\right)} has a unique strong solution (xt,ut,yt,vt,τ⌊tν⌋)(ω)(x_{t},u_{t},y_{t},v_{t},\tau_{{\left\lfloor\frac{t}{\nu}\right\rfloor}})(\omega) (ω∈Ω\omega\in\Omega), which is adapted to the filtration Ft\mathcal{F}_{t}. Furthermore, with probability one, (xt,ut,yt,vt)(ω)(x_{t},u_{t},y_{t},v_{t})(\omega) is tt-continuous:

Let BtB_{t} and AtA_{t} be two independent Brownian motions, and let Ft\mathcal{F}_{t} be the σ\sigma-algebra generated by BsB_{s}, AsA_{s}; s≤ts\leq t, and (x0,u0,y0,v0)(x_{0},u_{0},y_{0},v_{0}).

For all t≥0t\geq 0, the stochastic process (xt,ut,yt,vt,τ⌊tν⌋)(ω)(x_{t},u_{t},y_{t},v_{t},\tau_{{\left\lfloor\frac{t}{\nu}\right\rfloor}})(\omega) defined in Eqs. (11)–(17) has a unique solution such that (xs,us,ys,vs)(x_{s},u_{s},y_{s},v_{s}) is tt-continuous with probability one, and satisfies the following, for all s≥0s\geq 0,

(xs,us,ys,vs,τ⌊sν⌋)(x_{s},u_{s},y_{s},v_{s},\tau_{{\left\lfloor\frac{s}{\nu}\right\rfloor}}) is adapted to the filtration Fs\mathcal{F}_{s}.

We defer the proof of this lemma to Appendix G.

As described above, when μk=0\mu_{k}=0 the processes are synchronously coupled, and when μk=1\mu_{k}=1 they are coupled via reflection coupling. Roughly, rtr_{t} corresponds to the sum of ∥zt∥2\lVert z_{t}\rVert_{2} and ∥zt+wt∥2\lVert z_{t}+w_{t}\rVert_{2}. ∇t\nabla_{t} is the difference of the gradients of UU at xtx_{t} and yty_{t}, while Δt\Delta_{t} is the difference of the gradients at x⌊tδ⌋δx_{{\left\lfloor\frac{t}{\delta}\right\rfloor}\delta} and xtx_{t}.

2 Lyapunov Function

In this section, we define a Lyapunov function that will be useful in demonstrating that the distributions of (xt,ut)(x_{t},u_{t}) and (yt,vt)(y_{t},v_{t}) converge in 1-Wasserstein distance.

We follow Eberle 2016 in our specification of the distance function ff that is used in the definition of our Lyapunov function. We define two constants,

Let us summarize some important properties of the functions ψ\psi and gg:

ψ\psi is decreasing, ψ(0)=1\psi(0)=1, and ψ(r)=ψ(2Rf)\psi(r)=\psi(2\mathcal{R}_{f}) for any r>2Rfr>2\mathcal{R}_{f}.

gg is decreasing, g(0)=1g(0)=1, and g(r)=12g(r)=\frac{1}{2} for any r>2Rfr>2\mathcal{R}_{f}.

In Lemma 31 in Appendix E, we state and prove various several useful properties of the distance function ff.

Additionally define the stochastic processes:

These processes essentially track the discretization error arising due to a finite step size δ\delta and ν\nu. We refer to Lemma 38 in Appendix G for a proof of existence of ϕt\phi_{t}.

Then following stochastic process Lt\mathcal{L}_{t} acts as our Lyapunov function:

where k:=⌊tν⌋k:={\left\lfloor\frac{t}{\nu}\right\rfloor}. Note that Lt\mathcal{L}_{t} (the Lyapunov function at time tt) depends on rτkr_{\tau_{k}} (at time τk\tau_{k}). In Lemma 26, we demonstrate that this function contracts at a rate of e−Cmte^{-{C_{m}}t}. The convergence bound then follows by showing that the convergence of this Lyapunov function implies convergence of the distributions in 11-Wasserstein distance.

3 Proof Sketch

We present a full proof of Theorem 3 in Appendix D. In this section we provide a high-level sketch of our proof.

The proof proceeds by a path-wise analysis of the evolution of the Lyapunov function. In Figure 1(b), we illustrate a sample path of the process.

First, let us highlight the features of the figure.

The red circle represents the set ∥zt∥22+∥zt+wt∥22=5R\sqrt{{\left\|z_{t}\right\|}_{2}^{2}+{\left\|z_{t}+w_{t}\right\|}_{2}^{2}}=\sqrt{5}R. It affects the updates of τ⌊tν⌋\tau_{{\left\lfloor\frac{t}{\nu}\right\rfloor}}, which, in turn, dictates how the processes are coupled.

The orange circle represents ∥zt∥22+∥zt+wt∥22=2350⋅5R\sqrt{{\left\|z_{t}\right\|}_{2}^{2}+{\left\|z_{t}+w_{t}\right\|}_{2}^{2}}=\frac{23}{50}\cdot\sqrt{5}R. In relation to the red circle, it represents the contraction of ∥zt∥22+∥zt+wt∥22\sqrt{{\left\|z_{t}\right\|}_{2}^{2}+{\left\|z_{t}+w_{t}\right\|}_{2}^{2}} when evolved according to synchronous coupling.

The dark green diamond represents (1+2cκ)∥zt∥2+∥zt+wt∥2=5R(1+2c_{\kappa}){\left\|z_{t}\right\|}_{2}+{\left\|z_{t}+w_{t}\right\|}_{2}=\sqrt{5}R. It is a lower bound on (1+2cκ)∥zt∥2+∥zt+wt∥2=5R(1+2c_{\kappa}){\left\|z_{t}\right\|}_{2}+{\left\|z_{t}+w_{t}\right\|}_{2}=\sqrt{5}R when ∥zt∥22+∥zt+wt∥22=5R\sqrt{{\left\|z_{t}\right\|}_{2}^{2}+{\left\|z_{t}+w_{t}\right\|}_{2}^{2}}=\sqrt{5}R.

The light green diamond represents 2((1+2cκ)∥zt∥2+∥zt+wt∥2)=2⋅23505R2{\left((1+2c_{\kappa}){\left\|z_{t}\right\|}_{2}+{\left\|z_{t}+w_{t}\right\|}_{2}\right)}=2\cdot\frac{23}{50}\sqrt{5}R. It represents an upper bound on (1+2cκ)∥zt∥2+∥zt+wt∥2=5R(1+2c_{\kappa}){\left\|z_{t}\right\|}_{2}+{\left\|z_{t}+w_{t}\right\|}_{2}=\sqrt{5}R when ∥zt∥22+∥zt+wt∥22=2350⋅5R\sqrt{{\left\|z_{t}\right\|}_{2}^{2}+{\left\|z_{t}+w_{t}\right\|}_{2}^{2}}=\frac{23}{50}\cdot\sqrt{5}R.

It is not drawn, but note that the red circle is contained in (1+2cκ)∥zt∥2+∥zt+wt∥2≤12R(1+2c_{\kappa}){\left\|z_{t}\right\|}_{2}+{\left\|z_{t}+w_{t}\right\|}_{2}\leq\sqrt{12}R, which is the radius used for defining ff in Eq. (21).

The brown squiggly lines (t0→t1t_{0}\to t_{1}) and (t2→t3t_{2}\to t_{3}) represent the evolution of the process under reflection coupling.

The black line t1→t2t_{1}\to t_{2} represents the evolution of the process under synchronous coupling.

Below, we describe how (zt,wt)(z_{t},w_{t}) evolves over t∈[t0,t3]t\in[t_{0},t_{3}], and illustrate the main ideas behind the proof. To simplify matters, assume that

ki:=ti/νk_{i}:=t_{i}/\nu are integers, for i=0,1,2,3i=0,1,2,3.

ξt=σt=0\xi_{t}=\sigma_{t}=0 as these terms correspond to discretization errors.

rt≈∥zt∥2+(1+2cκ)∥zt+wt∥2r_{t}\approx{\left\|z_{t}\right\|}_{2}+(1+2c_{\kappa}){\left\|z_{t}+w_{t}\right\|}_{2}.

From t0→t1t_{0}\to t_{1}: Suppose that the process starts somewhere inside the red circle and stays inside for until time t1t_{1}, then τ⌊tν⌋=t0\tau_{{\left\lfloor\frac{t}{\nu}\right\rfloor}}=t_{0} and μ⌊tν⌋=1\mu_{{\left\lfloor\frac{t}{\nu}\right\rfloor}}=1 for t∈[t0,t1)t\in[t_{0},t_{1}), and the process (zt,wt)(z_{t},w_{t}) undergoes reflection coupling.

In this case, we can show that when rt≤12Rr_{t}\leq\sqrt{12}R then f(rt)−ϕtf(r_{t})-\phi_{t} contracts at a rate of exp⁡(−Cmt)\exp(-{C_{m}}t) with probability one (see Lemma 9). This in turn implies that our Lyapunov function Lt\mathcal{L}_{t} also contracts at the same rate with probability one (see Lemma 29 and Lemma 30).

From t1→t2t_{1}\to t_{2}: At t=t1t=t_{1}, we update τk1\tau_{k_{1}} so that τk1=t1\tau_{k_{1}}=t_{1}. Thus μs=0\mu_{s}=0 for all s∈[t1,t2)s\in[t_{1},t_{2}). During this period, (zt,wt)(z_{t},w_{t}) evolves under synchronous coupling. In Lemma 13, we show that ∥zt2∥22+∥zt2+wt2∥22≤2350∥zt1∥22+∥zt1+wt1∥22\sqrt{{\left\|z_{t_{2}}\right\|}_{2}^{2}+{\left\|z_{t_{2}}+w_{t_{2}}\right\|}_{2}^{2}}\leq\frac{23}{50}\sqrt{{\left\|z_{t_{1}}\right\|}_{2}^{2}+{\left\|z_{t_{1}}+w_{t_{1}}\right\|}_{2}^{2}}. This implies that f(rt2)≤e−Cm(t2−t1)f(rt1)f(r_{t_{2}})\leq e^{-{C_{m}}(t_{2}-t_{1})}f(r_{t_{1}}) (Lemma 10). Again, this contraction is with probability one. Intuitively, we use synchronous coupling because when the value of ∥zt∥2+∥zt+wt∥2{\left\|z_{t}\right\|}_{2}+{\left\|z_{t}+w_{t}\right\|}_{2} is large, Assumption (A3) guarantees contraction even in the absence of noise.

This contraction in ff consequently results in a contraction of the Lyapunov function (see Lemma 28).

After a duration Tsync{T_{sync}} of synchronous coupling, we have μk2=1\mu_{k_{2}}=1 and we resume reflection coupling over [t2,t3][t_{2},t_{3}]. Note that at t=t2t=t_{2}, the Lyapunov function Lt\mathcal{L}_{t}, undergoes a jump in value, from exp⁡(−Cm(t2−t1))f(rt1)\exp{\left(-{C_{m}}(t_{2}-t_{1})\right)}f(r_{t_{1}}) to f(rt2)f(r_{t_{2}}) (see (4.2)). We show in Lemma 27 that this jump is negative with probability one.

Discussion

In this paper, we study algorithms for sampling from distributions which satisfy a more general structural assumption than log-concavity, in time polynomial in dimension and accuracy. We also demonstrate that when using underdamped dynamics the runtime can be improved, mirroring the strongly convex case.

There are a few natural questions that we hope to answer in further investigation of non-log-concave sampling problems. First, it would be interesting to determine other structural assumptions that may be imposed on the target distribution that are more general than log-concavity but still admit tractable sampling guarantees; for example, we would like to uncover assumptions that may alleviate the exponential dependence on LR2LR^{2}. Conversely, existing guarantees may be extended to weaker assumptions, such as weak convexity outside a ball. Secondly, one might also wish to consider algorithms which have access to more than a gradient oracle, such as the Metropolis Hastings filter, or discretizations which use higher-order information.

Acknowledgements

This work was supported in part by the Mathematical Data Science program of the Office of Naval Research under grant number N00014-18-1-2764.

References

Appendix A Index of notation

Appendix B Two Small Constants

We define a function q(r)q(r) in (31), which is a smoothed approximation of ∣r∣|r|, such that it has continuous second derivatives everywhere. Specifically, for r≤β/2r\leq\beta/2, q(r)q(r) is a cubic spline.

This allows us to define a smoothed version of ∥x∥2{\left\|x\right\|}_{2}, which has continuous second derivatives everywhere:

On ν\nu: In order to demonstrate the existence of a strong solution to the coupling presented in Section 4.1 (Lemma 5), we switch between synchronous and reflection coupling at deterministic, finite intervals of width ν\nu.

This is not necessary strictly speaking, as there are results that ensure the existence of solutions of an SDE when the diffusion and drift coefficients are discontinuous but have finite variation. However, we choose to use a discretized coupling as the existence of its solution can be verified by using standard results.

This discretized coupling scheme adds an error term σt\sigma_{t} (see Eq. (28)). We show in Lemma 18 that this is o(ν2)o(\nu^{2}).

When reading the proofs, it helps to think of ν=0\nu=0 and σt=0\sigma_{t}=0, as we can take ν\nu to be arbitrarily small without additional computation costs. In the proof, it suffices to let ν=1/poly(L,1/m,d,R)\nu=1/poly(L,1/m,d,R). See the proof and Theorem 3 for the exact value of ν\nu.

Note that ν\nu is distinct from (and unrelated to) δ\delta, which is the step-size of the underdamped Langevin MCMC algorithm (Algorithm 2). δ\delta, and the corresponding discretization error ξt\xi_{t}, cannot be made arbitrarily small without additional computation costs.

This is just chain rule, together with Lemma 7.1, which guarantees the existence of q′′(∥x∥2)/∥x∥22q^{\prime\prime}({\left\|x\right\|}_{2})/{\left\|x\right\|}_{2}^{2} for all xx.

Existence and continuity follow from Lemma 7.

Let β\beta be any positive real. Let q(r){q}(r) be defined as in (31), reproduced below for ease of reference:

q(r){q}(r), q′(r)/r{q}^{\prime}(r)/r and q′′(r)/r2{q}^{\prime\prime}(r)/r^{2} exist for all rr, and are continuous.

For all rr, q(r)q(r) satisfies β/3≤q(r)\beta/3\leq{q}(r) and ∣r−q(r)∣≤β/3{\left|r-{q}(r)\right|}\leq\beta/3. In addition, q(r)=r{q}(r)=r for r≥β/2r\geq\beta/2.

q′(r){q}^{\prime}(r) is monotonically nondecreasing, q′(r)=1{q}^{\prime}(r)=1 for r≥β/2r\geq\beta/2, and q′(r)=0{q}^{\prime}(r)=0 for r=0r=0.

q′′(r)=0{q}^{\prime\prime}(r)=0 for all r≥β/2r\geq\beta/2.

All the claims can then be verified algebraically. ∎

Appendix C Proofs for overdamped Langevin Monte Carlo

We begin by establishing the convergence of the continuous-time process in Eq. (1) to the invariant distribution. Similar to Eberle 2016, we construct a coupling between the SDEs described by Eq. (3) and Eq. (4). We initialize the coupling at

and evolve the pair (xt,yt)(x_{t},y_{t}) according to the dynamics

where the terms γt\gamma_{t} and γˉt\bar{\gamma}_{t} are defined as:

In the following Lemma, we show that yty_{t} evolved according to Eq. (34) has the same marginal distributions as yty_{t} evolved according to the SDE in Eq. (3).

The dynamics in Eq. (34) is distributionally equivalent to the dynamics defined in Eq. (3).

Finally, we construct the Lyapunov function that we will use to show convergence. Let f(rt)f(r_{t}) be as defined in Eq. (26), with

and finally, define two stochastic processes

With these definitions, the following stochastic process Lt\mathcal{L}_{t} acts as our Lyapunov function:

C.2 Proof of Theorem 2

We note that the technique in establishing Step 1 is essentially taken from Eberle 2016.

where (i)(i) is by the Cauchy-Schwarz inequality, along with the fact that ∣f′(r)∣≤1{\left|f^{\prime}(r)\right|}\leq 1 (see (F2) of Lemma 31), and Lemma 7.3. The inequality in (ii)(ii) can be verified by considering three disjoint events. When ∥zt∥2∈[0,β]{\left\|z_{t}\right\|}_{2}\in[0,\beta], the bound follows by Cauchy-Schwarz, (F2) of Lemma 31, combined with Lemma 7.3. While when ∥zt∥2∈[R,∞]{\left\|z_{t}\right\|}_{2}\in[R,\infty] the bound follows from Assumption (A3). When ∥zt∥2∈[β,R]{\left\|z_{t}\right\|}_{2}\in[\beta,R], we bound the term using Cauchy-Schwarz, Assumption (A1), and Lemma 7.3.

Alternatively, when ∥zt∥2≠0{\left\|z_{t}\right\|}_{2}\neq 0,

Exapanding using the definition of ♡\heartsuit,

Before proceeding, we verify by definition of γt\gamma_{t} and γˉt\bar{\gamma}_{t} in Eq. (15) that

where the inequality (i)(i) is because f′′(r)≥0f^{\prime\prime}(r)\geq 0 for all r>0r>0 (by Lemma 31.(F5)), q′(r)≥0q^{\prime}(r)\geq 0 for all rr (by Lemma 7.3) and q′(r)=1q^{\prime}(r)=1 for all r≥β/2r\geq\beta/2 (Lemma 7.3). The equality in (ii)(ii) is because γt=1\gamma_{t}=1 for ∥zt∥2≥β{\left\|z_{t}\right\|}_{2}\geq\beta (by its definition in Eq. (35)).

Next, using Eq. (42), we can immediately verify that ♡2=0\heartsuit_{2}=0.

where we use the fact that q′′(∥zt∥2)=0q^{\prime\prime}({\left\|z_{t}\right\|}_{2})=0 if ∥zt∥2≥β/2{\left\|z_{t}\right\|}_{2}\geq\beta/2 (by Lemma 7.4) and γt=γˉt=0\gamma_{t}=\bar{\gamma}_{t}=0 if ∥zt∥2≤β/2{\left\|z_{t}\right\|}_{2}\leq\beta/2 (by its definition in Eq. (35)).

Putting together the bounds on ♡1\heartsuit_{1}, ♡2\heartsuit_{2} and ♡3\heartsuit_{3}, we can upper bound ♡\heartsuit as

Combining the upper bounds on ♠\spadesuit and ♡\heartsuit,

Let us now focus on ♣\clubsuit. By Lemma 31,

where the second line is by Lemma 6.1 and 31.(F3), and by m≤Lm\leq L.

The second inequality uses the definition of Δt\Delta_{t} in Eq. (36) and Assumption (A1).

Step 2: If we consider the evolution of the Lyapunov function Lt\mathcal{L}_{t} (defined in Eq. (41)), we can verify that

where the simplification in inequality (i)(i) can be verified by taking time derivatives of stochastic processes ϕt\phi_{t} and ξt\xi_{t} defined in Eq. (40) and Eq. (39).

Using the definition of Lt\mathcal{L}_{t} in Eq. (41) we get,

Taking expectations with respect to the Brownian motion yields:

where (i)(i) is because x(0)=0x^{(}0)=0 in Eq. (33), (ii)(ii) is by Lemma 31.(F3), (iii)(iii) is by Lemma 6.1, and finally (iv)(iv) is by Lemma 37.

Let nn be the number of time steps, so that t=nδt=n\delta. Substituting into the inequality in Eq. (43), we get

where for the second inequality, it suffices to let β=δd/6\beta=\delta d/6

For a given ε\varepsilon, the first term is less than ε/2\varepsilon/2 if

The second term is less than ε/2\varepsilon/2 if

By the definition of Co{C_{o}} in Eq. (38),

where the equality is by our assumption on the strong convexity parameter mm in the theorem statement. Recall that we also assume that ε≤dR2d/m+R2\varepsilon\leq\frac{dR^{2}}{\sqrt{d/m+R^{2}}}. Thus we can verify that

Appendix D Proofs for Underadmped Langevin Monte Carlo

The main idea behind the proof is to show that Lt\mathcal{L}_{t} contracts with probability one by a factor of e−Cmνe^{-{C_{m}}\nu}, going from t=(k−1)νt=(k-1)\nu to t=kνt=k\nu. The result can be found in Lemma 26 in Section D.5. The proof considers four cases:

μk−1=1,μk=1\mu_{k-1}=1,\mu_{k}=1. In Lemma 29 in Section D.5, we show that Lkν≤e−CmνL(k−1)ν\mathcal{L}_{k\nu}\leq e^{-{C_{m}}\nu}\mathcal{L}_{(k-1)\nu}. The proof of this result in turn uses Lemma 9 in Section D.2, which shows that Lt\mathcal{L}_{t} contracts at a rate of −Cm-{C_{m}} over the interval t∈[(k−1)ν,kν]t\in[(k-1)\nu,k\nu].

μk−1=1,μk=0\mu_{k-1}=1,\mu_{k}=0. In Lemma 30 in Section D.5, we show that Lkν≤e−CmνL(k−1)ν\mathcal{L}_{k\nu}\leq e^{-{C_{m}}\nu}\mathcal{L}_{(k-1)\nu}. The proof of this result is almost identical to the preceding case μk−1=1,μk=1\mu_{k-1}=1,\mu_{k}=1. (In particular, Lt\mathcal{L}_{t} undergoes no jump in value at t=kνt=k\nu, in spite in the change in value from μk−1=1\mu_{k-1}=1 to μk=0\mu_{k}=0. See proof for details.)

μk−1=0,μk=0\mu_{k-1}=0,\mu_{k}=0. In Lemma 28 in Section D.5, we show that Lkν≤e−CmνL(k−1)ν\mathcal{L}_{k\nu}\leq e^{-{C_{m}}\nu}\mathcal{L}_{(k-1)\nu}. The proof of this result is mainly based on the definition of Lt\mathcal{L}_{t}.

μk−1=0,μk=1\mu_{k-1}=0,\mu_{k}=1. In Lemma 27 in Section D.5, we show that Lkν≤e−CmνL(k−1)ν\mathcal{L}_{k\nu}\leq e^{-{C_{m}}\nu}\mathcal{L}_{(k-1)\nu}. This case is somewhat tricky, as Lt\mathcal{L}_{t} undergoes a jump in value at t=kνt=k\nu. Specifically, Lt\mathcal{L}_{t} jumps from e−CmTsync(f(rτk−1)−ξτk−1)−(σkν+ϕkν)e^{-{C_{m}}{T_{sync}}}{\left(f(r_{\tau_{k-1}})-\xi_{\tau_{k-1}}\right)}-{\left(\sigma_{k\nu}+\phi_{k\nu}\right)} to f(rkν)−ξkν−(σkν+ϕkν)f(r_{k\nu})-\xi_{k\nu}-{\left(\sigma_{k\nu}+\phi_{k\nu}\right)}. We prove that this jump is always negative (Lemma 10, Section D.3). The proof of Lemma 12 in turn relies on a contraction result in Lemma 13.

D.2 Contraction under Reflection Coupling

Our main result is stated as Lemma 9. It shows that μkf(rt)\mu_{k}f(r_{t}) contracts at a rate of exp⁡(−Cmt)\exp(-{C_{m}}t), plus some discretization error terms.

For any positive integer kk, with probability one we have,

If μk=0\mu_{k}=0, both sides of the inequality are identically zero. To simplify notation, we leave out the factor of μk\mu_{k} in subsequent expressions and assume that μk=1\mu_{k}=1 unless otherwise stated.

For the rest of this proof, we will consider time s∈[kν,(k+1)ν)s\in[k\nu,(k+1)\nu) for some kk.

Let us first establish some useful derivatives of the function ff:

where (i)(i) follows from Itô’s Lemma, and (ii)(ii) follows from Eqs. (11) - (14), and the definition of ∇t\nabla_{t} and Δt\Delta_{t} in Eq. (20).

In the sequel, we upper bound the terms ♠,♡,♣\spadesuit,\heartsuit,\clubsuit separately. Before we proceed, we verify the following inequalities:

where (i)(i) is again by Cauchy-Schwarz and (ii)(ii) is by Cauchy-Schwarz combined with Assumption (A1). Finally:

where the inequality above is by Cauchy-Schwarz along with the fact that q′(r)≥0q^{\prime}(r)\geq 0 for all rr from Lemma 7.

Bounding ♠\spadesuit: From Eqs. (45) and (44):

We again highlight the fact that q′(∥z∥2)z∥z∥2q^{\prime}({\left\|z\right\|}_{2})\frac{z}{{\left\|z\right\|}_{2}} is defined for all zz, particularly at ∥z∥2=0{\left\|z\right\|}_{2}=0, as q(r)=o(r2)q(r)=o(r^{2}) near zero (see Lemma 7).

Substituting the inequality in Eq. (46) into ♠1\spadesuit_{1}:

where the inequality uses Cauchy-Schwarz and (F2) of Lemma 31.

Now consider a few cases. We will use the expression for q′(r)q^{\prime}(r) from Eq. (7) a number of times:

If ∥zs∥2∈[β,∞),∥zs+ws∥2∈[β,∞){\left\|z_{s}\right\|}_{2}\in[\beta,\infty),{\left\|z_{s}+w_{s}\right\|}_{2}\in[\beta,\infty), then q′(∥zs∥2)=q′(∥zs+ws∥2)=1q^{\prime}({\left\|z_{s}\right\|}_{2})=q^{\prime}({\left\|z_{s}+w_{s}\right\|}_{2})=1, so that

where we use the definition of rtr_{t} defined in Eq. (19) and Lemma 6.1.

If ∥zs∥2∈[0,β),∥zs+ws∥2∈[β,∞){\left\|z_{s}\right\|}_{2}\in[0,\beta),{\left\|z_{s}+w_{s}\right\|}_{2}\in[\beta,\infty), then q′(∥zs∥2)∈q^{\prime}({\left\|z_{s}\right\|}_{2})\in and q′(∥zs+ws∥2)=1q^{\prime}({\left\|z_{s}+w_{s}\right\|}_{2})=1, so that

where (i) uses ∥zs+ws∥2−∥zs∥2≤∥ws∥2{\left\|z_{s}+w_{s}\right\|}_{2}-{\left\|z_{s}\right\|}_{2}\leq{\left\|w_{s}\right\|}_{2}, (ii)(ii) uses ∥ws∥2−∥zs+ws∥2≤∥z)s∥2{\left\|w_{s}\right\|}_{2}-{\left\|z_{s}+w_{s}\right\|}_{2}\leq{\left\|z)s\right\|}_{2}, (iii)(iii) uses our upper bound in ∥zs∥2{\left\|z_{s}\right\|}_{2} and (iv)(iv) uses the definition of rtr_{t} in Eq. (19) and Lemma 6.1.

If ∥zs∥2∈[β,∞),∥zs+ws∥2∈[0,β){\left\|z_{s}\right\|}_{2}\in[\beta,\infty),{\left\|z_{s}+w_{s}\right\|}_{2}\in[0,\beta), then q′(∥zs∥2)=1q^{\prime}({\left\|z_{s}\right\|}_{2})=1 and q′(∥zs+ws∥2)∈q^{\prime}({\left\|z_{s}+w_{s}\right\|}_{2})\in, so that

where (i)(i) uses our expression for q′(⋅)q^{\prime}(\cdot), and (ii)(ii) uses the expression for rtr_{t} in Eq. (19), the fact that cκ≤1/1000c_{\kappa}\leq 1/1000 and Lemma 6.1.

Finally, if ∥zs∥2∈[0,β),∥zs+ws∥2∈[0,β){\left\|z_{s}\right\|}_{2}\in[0,\beta),{\left\|z_{s}+w_{s}\right\|}_{2}\in[0,\beta), then q′(∥zs∥2)∈q^{\prime}({\left\|z_{s}\right\|}_{2})\in and q′(∥zs+ws∥2)∈q^{\prime}({\left\|z_{s}+w_{s}\right\|}_{2})\in, so that

where we again use the expression for rsr_{s} in Eq. (19) and Lemma 6.1.

Combining the four cases above we find that,

where we use Lemma 31.(F2), Lemma 6.1 and Eq. (18).

where (i)(i) is by Eq. (44), (ii)(ii) is by Lemma 44 and (iii)(iii) is because \bm{\left\langle}\gamma_{s},\frac{z_{s}+w_{s}}{{\left\|z_{s}+w_{s}\right\|}_{2}}\bm{}={\left\|\gamma_{s}\right\|}_{2} and \bm{\left\langle}\bar{\gamma}_{s},\frac{z_{s}+w_{s}}{{\left\|z_{s}+w_{s}\right\|}_{2}}\bm{}={\left\|\bar{\gamma}_{s}\right\|}_{2} (see Eq. (15)).

From Lemma 7.4, q′′(∥zs+ws∥2)=0q^{\prime\prime}({\left\|z_{s}+w_{s}\right\|}_{2})=0 for ∥zs+ws∥2≥β/2{\left\|z_{s}+w_{s}\right\|}_{2}\geq\beta/2 and from Eq. (15), γs=γˉs=0\gamma_{s}=\bar{\gamma}_{s}=0 for ∥zs+ws∥2≤β/2{\left\|z_{s}+w_{s}\right\|}_{2}\leq\beta/2. Thus the above simplifies to

Combining our upper bounds on ♠\spadesuit and ♡\heartsuit from Eq. (48) and Eq. (49),

where (i)(i) and (ii)(ii) follow from algebraic manipulations. Continuing forward we find that,

where (i)(i) is by Lemma 31 (F4) combined with the choice of αf\alpha_{f} and Rf\mathcal{R}_{f}, third line is by Lemma 31 (F2) and Lemma 31 (F3). (ii)(ii) follows immediately from the definition of Cm{C_{m}} in (9). (iii)(iii) can be verified from algebra, and finally (iv)(iv) is from the fact that Cm≤1{C_{m}}\leq 1 and f(r)≤rf(r)\leq r for all rr (Lemma 31 (F3)).

Thus, by combining the bounds on ♠\spadesuit and ♡\heartsuit in Eqs. (50) back into Eq. (45),

By taking the time derivative of Eq. (27)-(29), we can verify that for s∈[kν,(k+1)ν)s\in[k\nu,(k+1)\nu),

An application of Grönwall’s Lemma over the interval s∈[kν,(k+1)ν)s\in[k\nu,(k+1)\nu) gives us the claimed result:

D.3 Main results for synchronous coupling

Our main result in this section is Lemma 10, which shows that over a period of Tsync{T_{sync}}, f(rs)f(r_{s}) contracts by an amount exp⁡(−CmTsync)\exp{\left(-{C_{m}}{T_{sync}}\right)} with probability one. Note that this is weaker than showing a contraction rate of exp⁡(−Cmt)\exp(-{C_{m}}t) for all tt, but is sufficient for our purposes.

Assume that e72LR2≥2e^{72LR^{2}}\geq 2. With probability one, for all kk,

From our definition of cκc_{\kappa} in Eq. (6), rtr_{t} in Eq. (19), and from Lemma 6.1, it can be verified that

On the other hand, by ∥⋅∥1≥∥⋅∥2{\left\|\cdot\right\|}_{1}\geq{\left\|\cdot\right\|}_{2} and by Lemma 6,

Combining the inequality in the display above with the statement of Lemma 13 gives:

Combining the above with (F2), (F3) and (F6) of Lemma 31, and by using the definition of ff in Eq. (21),

where the first line in (i)(i) follows from the definition of Tsync{T_{sync}} and Cm{C_{m}} in Eq. (8) and Eq. (9) along with the fact that (1−47/50)/4≥1/200(1-\sqrt{47/50})/4\geq 1/200. The second line in (i)(i) is because Cm≤cκ23{C_{m}}\leq\frac{c_{\kappa}^{2}}{3} from Eq. (9).

By subtracting the left and the right hand sides of Eq. (53) and Eq. (52) thus gives us that,

We now state and prove several auxillary lemmas which are required for the proof of Lemma 10.

If ∥zs∥22+∥zs+ws∥22≥2.2R2{\left\|z_{s}\right\|}_{2}^{2}+{\left\|z_{s}+w_{s}\right\|}_{2}^{2}\geq 2.2R^{2}, then

We begin by expanding the differentials d∥zs∥22+d∥zs+ws∥22d{\left\|z_{s}\right\|}_{2}^{2}+d{\left\|z_{s}+w_{s}\right\|}_{2}^{2}:

Case 1: (∥zs∥2≤R{\left\|z_{s}\right\|}_{2}\leq R) By Young’s inequality,

Furthermore, by our assumption that ∥zs∥22+∥zs+ws∥22≥2.2R2{\left\|z_{s}\right\|}_{2}^{2}+{\left\|z_{s}+w_{s}\right\|}_{2}^{2}\geq 2.2R^{2},

With this implication ♠\spadesuit can now be upper bounded by

where (i)(i) is by Assumption (A1) and Cauchy-Schwarz, and (ii)(ii) is because cκ:=11000κ≤11000c_{\kappa}:=\frac{1}{1000\kappa}\leq\frac{1}{1000}. The inequality (iii)(iii) is by the implication in Eq. (55), which gives 3cκ∥zs∥22≤1000cκ3∥ws∥22≤13∥ws∥223c_{\kappa}{\left\|z_{s}\right\|}_{2}^{2}\leq\frac{1000c_{\kappa}}{3}{\left\|w_{s}\right\|}_{2}^{2}\leq\frac{1}{3}{\left\|w_{s}\right\|}_{2}^{2}. Finally, (iv)(iv) can be verified as follows:

where (i)(i) is by Young’s inequality, (ii)(ii) is by Eq. (55), and (iii)(iii) is by cκ≤11000c_{\kappa}\leq\frac{1}{1000}.

Case 2: (∥zs∥2≥R{\left\|z_{s}\right\|}_{2}\geq R) We have,

where (i)(i) is by Assumption (A3) and (ii)(ii) is because

Hence, we have proved the result under both cases. ∎

When μk=1\mu_{k}=1, the inequality holds trivially (0=00=0), so for the rest of this proof, we consider the case μk=0\mu_{k}=0. To simplify notation, we leave out the multiplier (1−μk)(1-\mu_{k}) in all subsequent expressions.

We can verify from Eqs. (11)-(14) and Eq. (18) that when μk=0\mu_{k}=0, for any s∈[kν,(k+1)ν)s\in[k\nu,(k+1)\nu),

where (i)(i) is by the expression for dzsdz_{s} and dwsdw_{s} established above, and (ii)(ii) is by Lemma 11 and Cauchy-Schwarz, the last two inequalities follow by algebraic manipulations.

Dividing throughout by (∥zs∥22+∥zs+ws∥22−2.2R)+{\left(\sqrt{\|z_{s}\|_{2}^{2}+\|z_{s}+w_{s}\|_{2}^{2}}-\sqrt{2.2}R\right)}_{+} gives us that

We can verify that the inequality implies that

This proves the statement of the Lemma. ∎

Assume that e72LR2≥2e^{72LR^{2}}\geq 2. With probability one, for all positive integers kk,

By our choice ν\nu we know that Tsync/ν{T_{sync}}/\nu is an integer, thus we have,

where Sk−1:={τk−1ν,τk−1ν+1,...,k−1}S_{k-1}:=\left\{\frac{\tau_{k-1}}{\nu},\frac{\tau_{k-1}}{\nu}+1,...,k-1\right\} (as defined in Lemma 14). Above, (i)(i) is because kν=τk−1+Tsync⇒(k−1)ν<τk−1+Tsynck\nu=\tau_{k-1}+{T_{sync}}\Rightarrow(k-1)\nu<\tau_{k-1}+{T_{sync}}, (ii)(ii) is because (k−1)ν<τk−1+Tsync⇒μk−1=0(k-1)\nu<\tau_{k-1}+{T_{sync}}\Rightarrow\mu_{k-1}=0 (see Eq. (18)) and (iii)(iii) is by Part 2 of Lemma 14.

where the last inequality uses the fact that ν⋅(k−τk−1)=Tsync\nu\cdot(k-\tau_{k-1})={T_{sync}} in the definition of α\alpha.

where (i)(i) is by Eq. (56), (ii)(ii) is by Eq. (57), (iii)(iii) is by Eq. (56) again, and (iv)(iv) is by the definition Tsync=3cκ2log⁡(100){T_{sync}}=\frac{3}{c_{\kappa}^{2}}\log(100).

Let j:=τk−1/νj:=\tau_{k-1}/\nu. Then by the first part of Lemma 14, we know that τj=τk−1=jν\tau_{j}=\tau_{k-1}=j\nu. From the update rule for τk\tau_{k}, Eq. (17), this must imply that

where (i)(i) is by an algebraic manipulation, (ii)(ii) is by Eq. (58), (iii)(iii) is by Eq. (59) and (iv)(iv) is because 1/100+22/50≤23/501/100+\sqrt{22/50}\leq\sqrt{23/50}. ∎

Let j=τk/νj=\tau_{k}/\nu. Then for all i∈{j,j+1,...,k}i\in\left\{j,j+1,...,k\right\}, τi=τk=jν\tau_{i}=\tau_{k}=j\nu.

If μk=0\mu_{k}=0, then μi=0\mu_{i}=0 for all i∈{τk/ν...k}i\in\left\{\tau_{k}/\nu...k\right\}, μi=0\mu_{i}=0. Equivalently,

where Sk:={τkν,...,k}S_{k}:=\left\{\frac{\tau_{k}}{\nu},...,k\right\}.

For the first claim: By definition of the update for τk\tau_{k}, if j=τk/νj=\tau_{k}/\nu for any kk, then jν=τj=τkj\nu=\tau_{j}=\tau_{k}. Note that τi\tau_{i} is nondecreasing with ii, so that j=τk≤kj=\tau_{k}\leq k, which implies that τj≤τj+1≤...≤τj\tau_{j}\leq\tau_{j+1}\leq...\leq\tau_{j}. Since τj=τk\tau_{j}=\tau_{k}, the inequalities must hold with equality.

For the second claim: By the definition of μk\mu_{k}; μk=0\mu_{k}=0 implies that kν<τk+Tsynck\nu<\tau_{k}+{T_{sync}}. From the first claim, we know that for all i∈{τk/ν...k}i\in\left\{\tau_{k}/\nu...k\right\}, τi=τk\tau_{i}=\tau_{k}. Thus iν≤kν<τk+Tsync=τi+Tsynci\nu\leq k\nu<\tau_{k}+{T_{sync}}=\tau_{i}+{T_{sync}}. ∎

D.4 Discretization Error Bound

This follows directly by combining the results of Lemma 32 and Lemma 17. ∎

Suppose that the step size δ≤11000\delta\leq\frac{1}{1000}. Then for all t∈[⌊tδ⌋δ,(⌊tδ⌋+1)δ]t\in[{\left\lfloor\frac{t}{\delta}\right\rfloor}\delta,({\left\lfloor\frac{t}{\delta}\right\rfloor}+1)\delta],

where for the last inequality, we use Lemma 34.

For β≤0.0001R\beta\leq 0.0001R. There exists a C5=poly(L,1/m,d,R,1Cm)C_{5}=poly(L,1/m,d,R,\frac{1}{{C_{m}}}) and C3=1/poly(L,1/m,d,R)C_{3}=1/poly(L,1/m,d,R), such that for all ν≤C3\nu\leq C_{3}, for all positive integers kk, and for all t≥0t\geq 0,

By the definition of σt\sigma_{t} in Eq. (28),

where (i)(i) is by Lemma 32 and Lemma 33. ∎

For every β≤0.0001R\beta\leq 0.0001R, there exists a C2=poly(L,1/m,d,R)C_{2}=poly(L,1/m,d,R), C3=1/poly(L,1/m,d,R)C_{3}=1/poly(L,1/m,d,R), such that for all ν≤C3\nu\leq C_{3}, for all positive integers kk, and for all s∈[kν,(k+1)ν]s\in[k\nu,(k+1)\nu],

By definition of μk\mu_{k} in Eq. (18), we know that μk=1\mu_{k}=1 implies that kν−τk≥Tsynck\nu-\tau_{k}\geq{T_{sync}} which further implies that τk=τk−1\tau_{k}=\tau_{k-1} (otherwise τk\tau_{k} must equal kνk\nu by the definition of τt\tau_{t}, in which case kν−τk=0<Tsynck\nu-\tau_{k}=0<{T_{sync}}). This then implies that kν−τk−1≥Tsynck\nu-\tau_{k-1}\geq{T_{sync}}. It must thus be the case that ∥zkν∥22+∥zkν+wkν∥22<5R\sqrt{{\left\|z_{k\nu}\right\|}_{2}^{2}+{\left\|z_{k\nu}+w_{k\nu}\right\|}_{2}^{2}}<\sqrt{5}R, because otherwise τk=kν\tau_{k}=k\nu, which contradicts μk=1\mu_{k}=1. Thus,

By a standard inequality between ∥⋅∥1{\left\|\cdot\right\|}_{1} and ∥⋅∥2{\left\|\cdot\right\|}_{2},

where (i)(i) is by Lemma 6.1, and (ii)(ii) is by definition of rtr_{t} in Eq. (18) and by definition of cκc_{\kappa}.

where the final inequality uses our assumption that β≤0.0001R\beta\leq 0.0001R. Thus,

where (i)(i) by Markov’s inequality, (ii)(ii) can be verified by using Lemma 6.1 and some algebra.

Next, by the dynamics of ztz_{t} we have that

Further by the definition of the dynamics of wtw_{t} we get,

where (i)(i) is by the triangle inequality and Young’s inequality, (ii)(ii) uses Assumption (A1), and (iii)(iii) uses the fact that cκ≤1c_{\kappa}\leq 1.

Therefore, summing the two inequalities above and taking expectations,

where the last inequlaity is by combining Lemma 32, Lemma 33 and Lemma 22 and by noting that by their definition in Eq. (15), ∥γt∥2≤1{\left\|\gamma_{t}\right\|}_{2}\leq 1 and ∥γˉt∥2≤1{\left\|\bar{\gamma}_{t}\right\|}_{2}\leq 1 for all tt, with probability one.

There exists C1=poly(R,d,1m)C_{1}=poly(R,d,\frac{1}{m}) and C3=1/poly(R,d,1m)C_{3}=1/poly(R,d,\frac{1}{m}), such that for all ν<C3\nu<C_{3} and for all s∈[kν,(k+1)ν]s\in[k\nu,(k+1)\nu], the right-hand side of the inequality above is upper bounded by

Combining the above with inequality (62), we find that there exists C2=poly(R,d,1m)C_{2}=poly(R,d,\frac{1}{m}) and C3=1/poly(R,d,1m)C_{3}=1/poly(R,d,\frac{1}{m}), such that for all ν<C3\nu<C_{3} and for all s∈[kν,(k+1)ν]s\in[k\nu,(k+1)\nu]

where β\beta is absorbed into C2C_{2} due to our assumption that β≤0.0001R\beta\leq 0.0001R.

For β≤0.0001R\beta\leq 0.0001R. There exists constants, C3=1/poly(L,1/m,d,R)C_{3}=1/poly(L,1/m,d,R) and C4=poly(L,1/m,d,R)C_{4}=poly(L,1/m,d,R), such that for all ν≤C3\nu\leq C_{3}, for all positive integers kk, and for all s∈[kν,(k+1)ν]s\in[k\nu,(k+1)\nu],

Proof follows by combining the results of Lemma 19 and Lemma 20. ∎

Let γt\gamma_{t} be a dd-dimensional adapted process satisfying ∥γt∥2≤1{\left\|\gamma_{t}\right\|}_{2}\leq 1 for all t>0t>0 with probability one. Then

Let us define βt:=∫0tγsγsTdBs\beta_{t}:=\int_{0}^{t}\gamma_{s}\gamma_{s}^{T}dB_{s}. Define the function l(β):=∥β∥28l(\beta):={\left\|\beta\right\|}_{2}^{8} for this proof. The derivates of this function are,

D.5 Putting it all together

In this section, we combine the results from Appendices D.2, D.3 and D.4 to prove Theorem 3. The heart of the proof is Lemma 26, which shows that Lt\mathcal{L}_{t} contracts with probability one at a rate of −Cm-{C_{m}}. This lemma essentially combines the results of Lemmas 27, 28 (proved in Appendix D.2) and Lemmas 29, 30 (proved in Appendix D.3).

where (i)(i) is by Eq. (65) and (ii)(ii) can be verified from the initialization in Eq. (10) and the definition of the Lyapunov function Lt\mathcal{L}_{t} in Eq. (4.2).

where C5=poly(L,1/m,d,R,1/Cm)C_{5}=poly(L,1/m,d,R,1/{C_{m}}) as defined in Lemma 18.

From Lemma 33, our choice of x0=u0=0x_{0}=u_{0}=0 in Eq. (10) and our definition of rtr_{t} in Eq. (18),

This inequality along with (F3) of Lemma 31, and Lemma 6.1 also implies that,

We can take ν\nu and β\beta to be arbitrarily small without any additional computation cost, so let ν=(220δ(R+d/m)/(CmC5))−1/2\nu={\left({2^{20}\delta{\left(R+\sqrt{d/m}\right)}/({C_{m}}C_{5})}\right)}^{-1/2} and β=min⁡{220δ(R+d/m)/(Cm),29δ(R+d/m),29δν(R+d/m)}\beta=\min\left\{{2^{20}\delta{\left(R+\sqrt{d/m}\right)}/({C_{m}})},{2^{9}\delta{\left(R+\sqrt{d/m}\right)}},{2^{9}\delta\nu{\left(R+\sqrt{d/m}\right)}}\right\}, so that the terms containing β\beta and ν\nu are less than the other terms.

We can ensure that the second term (e6LR2⋅δ⋅219cκ(R+d/m)Cm){\left(e^{6LR^{2}}\cdot\delta\cdot\frac{2^{19}c_{\kappa}{\left(R+\sqrt{d/m}\right)}}{{C_{m}}}\right)} is less than ε/2\varepsilon/2 by setting

We can ensure that the first term (e6LR2⋅e−Cmkν219(R+dm)){\left(e^{6LR^{2}}\cdot e^{-{C_{m}}k\nu}2^{19}{\left(R+\sqrt{\frac{d}{m}}\right)}\right)} is less than ε/2\varepsilon/2 by setting

Recalling the definition of Cm:=min⁡{e−6LR26000κLR2,e−6LR221⋅107⋅log⁡(100)⋅κ2,13⋅106κ2}{C_{m}}:=\min\left\{\frac{e^{-6LR^{2}}}{6000\kappa LR^{2}},\frac{e^{-6LR^{2}}}{21\cdot 10^{7}\cdot\log{\left(100\right)}\cdot\kappa^{2}},\frac{1}{3\cdot 10^{6}\kappa^{2}}\right\} in Eq. (9), and cκ:=1/(1000κ)c_{\kappa}:=1/(1000\kappa), some algebra shows that it suffices to let

The number of steps of the algorithm is thus

With probability one, for all positive integers kk,

where Sk:={τkν,...,k}S_{k}:=\left\{\frac{\tau_{k}}{\nu},...,k\right\}. Thus using this characterization of 1−μk1-\mu_{k} we get,

where (i)(i) is by defintion of cκc_{\kappa} in Eq. (6) and (ii)(ii) inequality is by algebra. Unpacking this further we get that:

where (i)(i) is by Eq. (66), (ii)(ii) follows by Lemma 12, applied recursively for i∈{τkν...k}i\in\left\{\frac{\tau_{k}}{\nu}...k\right\}, while (iii)(iii) is again by Eq. (66). The equality in (iv)(iv) can be verified as follows: By Lemma 14 we know that ττk/ν=τk\tau_{{\tau_{k}}/{\nu}}=\tau_{k}, which implies that ∥zτk∥22+∥zτk+wτk∥22≥5R\sqrt{{\left\|z_{\tau_{k}}\right\|}_{2}^{2}+{\left\|z_{\tau_{k}}+w_{\tau_{k}}\right\|}_{2}^{2}}\geq\sqrt{5}R based on the dynamics of τk\tau_{k} in Eq. (17). Finally (v)(v) is by definition of rtr_{t} in Eq. (19).

For all positive integer kk, with probability one,

where the last inequality is by Eq. (27).

We can also verify from the definition of μt\mu_{t} in Eq. (18) that μk=0⇔kν≤τk+Tsync\mu_{k}=0\Leftrightarrow k\nu\leq\tau_{k}+{T_{sync}}. Thus,

where (i)(i) is by Eq. (9) and (ii)(ii) line is by Eq. (8).

Combining the above with the definition of ξkν\xi_{k\nu} in Eq. (27) we get,

where (i)(i) is by definition of L\mathcal{L} in Eq. (4.2). (ii)(ii) is by Eq. (67). (iii)(iii) is by Eq. (69) and the positivity of ff, ξ\xi, β\beta. (iv)(iv) is by Eq. (68) and the fact that f(rt)≥0f(r_{t})\geq 0 and ξt≥0\xi_{t}\geq 0 for all tt. The inequalities (v)(v) and (vi)(vi) are by algebraic manipulations.

Assume that e72LR2≥2e^{72LR^{2}}\geq 2. With probability one, for all positive integers kk,

We get the conclusion by summing the results of Lemmas 27, 28, 29 and 30. ∎

Below, we state the lemmas which are needed to prove Lemma 26.

Assume that e72LR2≥2e^{72LR^{2}}\geq 2. For all positive integers kk, with probability 1,

By the dynamics of μk\mu_{k}, we can verify that

By our choice of ν\nu, Tsync/ν{T_{sync}}/\nu is an integer (see comment following Eq. (8)), and the inequalities above imply that kν=τk−1+Tsynck\nu=\tau_{k-1}+{T_{sync}}. Thus,

By definition of σt\sigma_{t} in Eq. (28),

where (i)(i) is because α=1\alpha=1 implies that μ⌊sν⌋=μk−1=0\mu_{{\left\lfloor\frac{s}{\nu}\right\rfloor}}=\mu_{k-1}=0 for all s∈[(k−1)ν,kν)s\in[(k-1)\nu,k\nu).

Similarly, by the definition of ϕt\phi_{t} in Eq. (29),

where (i)(i) is again because α=1\alpha=1 implies that μ⌊sν⌋=μk−1=0\mu_{{\left\lfloor\frac{s}{\nu}\right\rfloor}}=\mu_{k-1}=0 for all s∈[(k−1)ν,kν)s\in[(k-1)\nu,k\nu).

For all positive integers kk, with probability one,

Define α1,α2\alpha_{1},\alpha_{2} and α3\alpha_{3} to be indicators for the following events:

By the definition of the Lyapunov function in Eq. (4.2) we find that

We now consider two cases: when kν=τkk\nu=\tau_{k} and when kν≠τkk\nu\neq\tau_{k} and prove the result in both of these cases.

Case 1: kν=τkk\nu=\tau_{k} From the definition of τt\tau_{t} in Eq. (17), we know that kν=τk⇒kν−τk−1≥Tsynck\nu=\tau_{k}\Rightarrow k\nu-\tau_{k-1}\geq{T_{sync}}. Additionally, μk−1=0⇒(k−1)ν−τk−1<Tsync\mu_{k-1}=0\Rightarrow(k-1)\nu-\tau_{k-1}<{T_{sync}}. By our choice of ν\nu; Tsync/ν{T_{sync}}/\nu is an integer (immediately below (8)). Thus it must be that kν=τk−1+Tsynck\nu=\tau_{k-1}+{T_{sync}}. Hence we have shown that

where (i)(i) is by Eq. (75), (ii)(ii) is because α2=1\alpha_{2}=1 implies τk=kν\tau_{k}=k\nu, (iii)(iii) is by Lemma 10. Inequality (iv)(iv) is because α1=1\alpha_{1}=1 implies μk−1=0\mu_{k-1}=0, we can thus verify from Eq. (28) and Eq. (29) that α1⋅(σkν+ϕkν)=α1⋅e−Cmν(σ(k−1)ν+ϕ(k−1)ν)\alpha_{1}\cdot{\left(\sigma_{k\nu}+\phi_{k\nu}\right)}=\alpha_{1}\cdot e^{-{C_{m}}\nu}{\left(\sigma_{(k-1)\nu}+\phi_{(k-1)\nu}\right)} (the detailed proof is identical to proof of Eq. (72) and (73), and is not repeated here). (v)(v) follows by our expression for L(k−1)ν\mathcal{L}_{(k-1)\nu} in Eq. (74) and (vi)(vi) is again by Eq. (75).

Case 2: kν≠τkk\nu\neq\tau_{k} In this case, by the definition of τt\tau_{t} (in Eq. (17)) that τk=τk−1\tau_{k}=\tau_{k-1}. Thus,

where (i)(i) is by the expression for Lkν\mathcal{L}_{k\nu} in Eq. (74), (ii)(ii) is because τk=τk−1\tau_{k}=\tau_{k-1}. Inequality (iii)(iii) is because α1⋅(σkν+ϕkν)=α1⋅e−Cmν(σ(k−1)ν+ϕ(k−1)ν)\alpha_{1}\cdot(\sigma_{k\nu}+\phi_{k\nu})=\alpha_{1}\cdot e^{-{C_{m}}\nu}(\sigma_{(k-1)\nu}+\phi_{(k-1)\nu}). The proof of this fact is identical to proof of inequalities Eqs. (72) and (73), and is not repeated here. Finally (iv)(iv) is by pulling out a factor of e−Cmνe^{-{C_{m}}\nu}, and then using the equality in Eq. (74).

Therefore, summing the two cases, we get our conclusion that

For all positive integers kk, with probability 1,

where (i)(i) is by Eq. (76), (ii)(ii) is because α=α⋅μk\alpha=\alpha\cdot\mu_{k}, (iii)(iii) is by Lemma 9, (iv)(iv) is again because α=α⋅μk\alpha=\alpha\cdot\mu_{k} and (v)(v) is again by Eq. (76). ∎

For all positive integers kk, with probability 1,

Additionally, we can verify from Eq. (18) that μk=0\mu_{k}=0 implies that kν−Tsync<τkk\nu-{T_{sync}}<\tau_{k} and that μk−1=1\mu_{k-1}=1 implies thta (k−1)ν−Tsync≥τk−1(k-1)\nu-{T_{sync}}\geq\tau_{k-1}. Putting this together, we get

Thus τk>τk−1\tau_{k}>\tau_{k-1}. From the definition of μt\mu_{t} (in Eq. (18)), we see that τk\tau_{k} is either equal to τk−1\tau_{k-1} or is equal to kνk\nu, so that it must be that

when α=1\alpha=1. In particular, this implies that

Appendix E Properties of ff

Assume that e72LR2≥2e^{72LR^{2}}\geq 2. The function ff defined in Eq. (26) has the following properties.

12e−2αfRf2≤12ψ(r)≤f′(r)≤1\frac{1}{2}e^{-2\alpha_{f}\mathcal{R}_{f}^{2}}\leq\frac{1}{2}\psi(r)\leq f^{\prime}(r)\leq 1.

12e−2αfRf2r≤12Ψ(r)≤f(r)≤Ψ(r)≤r\frac{1}{2}e^{-2\alpha_{f}\mathcal{R}_{f}^{2}}r\leq\frac{1}{2}\Psi(r)\leq f(r)\leq\Psi(r)\leq r.

For all 0<r≤Rf0<r\leq\mathcal{R}_{f}, f′′(r)+αfrf′(r)≤−e−2αfRf24Rf2f(r)f^{\prime\prime}(r)+\alpha_{f}rf^{\prime}(r)\leq-\frac{e^{-2\alpha_{f}\mathcal{R}_{f}^{2}}}{4\mathcal{R}_{f}^{2}}f(r)

For all r>0r>0, f′′f^{\prime\prime} is defined, f′′(r)≤0f^{\prime\prime}(r)\leq 0, and f′′(r)=0f^{\prime\prime}(r)=0 when r>2Rfr>2\mathcal{R}_{f}.

If 2αfRf2≥ln⁡22\alpha_{f}\mathcal{R}_{f}^{2}\geq\ln 2, for any 0.5<s<10.5<s<1, f(sr)≤exp⁡(−1−s4e−2αfRf2)f(r)f(sr)\leq\exp{\left(-\frac{1-s}{4}e^{-2\alpha_{f}\mathcal{R}_{f}^{2}}\right)}f(r).

For r>0r>0, ∣f′′(r)∣≤4αfRf+4Rf{\left|f^{\prime\prime}(r)\right|}\leq 4\alpha_{f}\mathcal{R}_{f}+\frac{4}{\mathcal{R}_{f}}

We refer to definitions of the functions ψ,Ψ,g\psi,\Psi,g in Eq. (25) and the definition of ff in Eq. (26).

f(0)=0f(0)=0 and f′(0)=1f^{\prime}(0)=1 by the definition of ff and ψ\psi.

are verified from the definitions, noting that 12≤g(r)≤1\frac{1}{2}\leq g(r)\leq 1 and e−2αfRf2≤ψ(2Rf)≤ψ(r)≤ψ(0)e^{-2\alpha_{f}\mathcal{R}_{f}^{2}}\leq\psi(2\mathcal{R}_{f})\leq\psi(r)\leq\psi(0).

To prove this property first we observe that f′(r)=ψ(r)g(r)f^{\prime}(r)=\psi(r)g(r) so

By the definition of ψ\psi, ψ′(r)=−2αfrψ(r)\psi^{\prime}(r)=-2\alpha_{f}r\psi(r) if r<Rfr<\mathcal{R}_{f}, thus

where (i)(i) is because f(r)≤Ψ(r)f(r)\leq\Psi(r) and h(r)=1h(r)=1 for r≤Rfr\leq\mathcal{R}_{f}.

The first inequality above is by (F2), (F3) and the definition of h(s)h(s).

f′′(r)≤0f^{\prime\prime}(r)\leq 0 follows from its expression f′′(r)=ψ′(r)g(r)+ψ(r)g′(r)f^{\prime\prime}(r)=\psi^{\prime}(r)g(r)+\psi(r)g^{\prime}(r), and the fact that ψ(r)≥0\psi(r)\geq 0 from (F2), g(r)≥1/2g(r)\geq 1/2, g′(r)≤0g^{\prime}(r)\leq 0 and ψ′(r)≤0\psi^{\prime}(r)\leq 0 for all rr. For r>2Rfr>2\mathcal{R}_{f}, ψ′(r)=g′(r)=0\psi^{\prime}(r)=g^{\prime}(r)=0, so in that case f′′(r)=ψ′(r)g(r)+ψ(r)g′(r)=0f^{\prime\prime}(r)=\psi^{\prime}(r)g(r)+\psi(r)g^{\prime}(r)=0.

where the first inequality follows from (F2), and the second inequality follows from (F3). Under the assumption that e−2αfRf2≤12e^{-2\alpha_{f}\mathcal{R}_{f}^{2}}\leq\frac{1}{2}, and using the inequality 1+x≥ex/21+x\geq e^{x/2} for all x∈[0,1/2]x\in[0,1/2], we get 1+(c/2)e−2αfRf2≥e(c/4)e−2αfRf21+(c/2)e^{-2\alpha_{f}\mathcal{R}_{f}^{2}}\geq e^{(c/4)e^{-2\alpha_{f}\mathcal{R}_{f}^{2}}}.

Thus, for any s∈(1/2,1)s\in(1/2,1), let r′:=srr^{\prime}:=sr, so that r=1sr′=(1+(1s−1))r′r=\frac{1}{s}r^{\prime}={\left(1+{\left(\frac{1}{s}-1\right)}\right)}r^{\prime} Applying the above with c=1s−1c=\frac{1}{s}-1, we get

where we use the fact that −1−ss≤−(1−s)-\frac{1-s}{s}\leq-(1-s).

From our definition of h(r)h(r), we know that rh(r)≤2Rfrh(r)\leq 2\mathcal{R}_{f}. In addition, since ψ(r)\psi(r) is monotonically decreasing, Ψ(r)=∫0rψ(s)ds≥rψ(r)\Psi(r)=\int_{0}^{r}\psi(s)ds\geq r\psi(r), so that

Thus Ψ(r)/r≥r\Psi(r)/r\geq r for all rr. On the other hand, using the fact that ψ(s)≤1\psi(s)\leq 1,

where the first inequality is by the definition of h(r)=1h(r)=1 for r≤Rfr\leq\mathcal{R}_{f} and h(r)=0h(r)=0 for r≥2Rfr\geq 2\mathcal{R}_{f}, and the second-to-last inequality is by (78).

Appendix F Bounding moments

To bound the discretization error it is necessary to bound the moments of the random variables xt,utx_{t},u_{t} and yt,vty_{t},v_{t}. The main results of this section are Lemma 32 (which bounds the moments of xtx_{t} and utu_{t}) and Lemma 33 (which bounds the moments of yty_{t} and vtv_{t}).

For δ≤2−10cκ\delta\leq 2^{-10}c_{\kappa}, and for all t≥0t\geq 0,

Let us consider the Lyapunov function l(xt,ut):=(∥xt∥22+∥xt+ut∥22−4R2)+4l(x_{t},u_{t}):={\left({\left\|x_{t}\right\|}_{2}^{2}+{\left\|x_{t}+u_{t}\right\|}_{2}^{2}-4R^{2}\right)}_{+}^{4}.

By calculating the derivaties of ll we can verify that:

The following are two useful inequalities which we will use in this proof:

Recall from the dynamics defined in Eq. (11) and Eq. (12) that

Thus by studying the evolution of the Lyapunov function l(xt,ut)l(x_{t},u_{t}) we have:

We will bound the three terms separately. We begin by bounding ♠\spadesuit:

where (i)(i) is by invoking Lemma 35, and (ii)(ii) is by Eq. (80). Next consider the term ♡\heartsuit:

where (i)(i) is by Cauchy-Schwarz and Assumption (A1), (ii)(ii) is by Eq. (80), (iii)(iii) is again by Eq. (80), (iv)(iv) is by Young’s inequality, (v)(v) is again by Young’s inequality, (vi)(vi) follows by an algebraic manipulation, (vii)(vii) is by the dynamics defined in Eq. (11), (viii)(viii) is by Jensen’s inequality and finally (ix)(ix) is because t−⌊tδ⌋δ≤δt-{\left\lfloor\frac{t}{\delta}\right\rfloor}\delta\leq\delta. Also:

where (i)(i) is by Eq. (80), (ii)(ii) is by Young’s inequality, (iii)(iii) follows by definition of cκc_{\kappa} in Eq. (6) and (iv)(iv) is by Young’s inequality, and because m≤Lm\leq L.

Putting together the upper bounds on ♠,♡,♣\spadesuit,\heartsuit,\clubsuit:

where (i)(i) is by Lemma 34, and (ii)(ii) is by Eq. (80) and Eq. (6) along with some algebra.

Consider an arbitrary positive interger kk. By Grönwall’s Lemma applied over s∈[kδ,(k+1)δ)s\in[k\delta,(k+1)\delta),

where (i)(i) and (ii)(ii) use the fact that cκ2δ≤110c_{\kappa}^{2}\delta\leq\frac{1}{10}, along with 1−a≤e−a≤1−a21-a\leq e^{-a}\leq 1-\frac{a}{2} for ∣a∣≤110{\left|a\right|}\leq\frac{1}{10}.

Applying the above recursively, using the geometric sum, and Eq. (10), we show that for all positive integers kk,

For an arbitrary t≥0t\geq 0, we can similarly verify using the above result, Eq. (81), and Grönwall’s Lemma that

We now state and prove some auxillary lemmas that were useful in the proof above.

Assume that δ≤11000\delta\leq\frac{1}{1000}. Then for all t≥0t\geq 0,

From the stochastic dynamics defined in Eq. (11), Eq. (12), Eq. (13) and Eq. (14), we can verify that

where (i)(i) is by Itô’s Lemma, (ii)(ii) is by Assumption (A1), Young’s inequality and by the definition of cκc_{\kappa} in Eq. (6), and (iii)(iii) is again by Young’s inequality and definition of cκc_{\kappa}.

Consider an arbitrary t≥0t\geq 0, and let k:=⌊tδ⌋k:={\left\lfloor\frac{t}{\delta}\right\rfloor}. Then for all s∈[kδ,(k+1)δ)s\in[k\delta,(k+1)\delta), we have:

where the final two inequalities are both by our assumption that δ≤11000\delta\leq\frac{1}{1000}. ∎

For (xt,ut)(x_{t},u_{t}) satisfying ∥xt∥22+∥xt+ut∥22≥4R2{\left\|x_{t}\right\|}_{2}^{2}+{\left\|x_{t}+u_{t}\right\|}_{2}^{2}\geq 4R^{2},

Case 1: (∥xt∥2≤R{\left\|x_{t}\right\|}_{2}\leq R) By Young’s inequality we get that,

Furthermore, by our assumption that ∥xt∥22+∥xt+ut∥22≥4R2{\left\|x_{t}\right\|}_{2}^{2}+{\left\|x_{t}+u_{t}\right\|}_{2}^{2}\geq 4R^{2},

Thus in this case ∥ut∥22≥110R2{\left\|u_{t}\right\|}_{2}^{2}\geq\frac{1}{10}R^{2}, and ♠\spadesuit can be upper bounded by

where (i)(i) is by LL-Lipschitz of ∇U\nabla U and Cauchy-Schwarz, (ii)(ii) and (iii)(iii) are because cκ:=11000κ≤11000c_{\kappa}:=\frac{1}{1000\kappa}\leq\frac{1}{1000} and by Eq. (83), the (iv)(iv) is because

where the second inequality is by again by Eq. (83).

Case 2: (∥xt∥2≥R{\left\|x_{t}\right\|}_{2}\geq R)

By Assumption (A3), -\frac{c_{\kappa}}{L}\bm{\left\langle}x_{t},\nabla_{t}\bm{}\leq-\frac{c_{\kappa}}{\kappa}{\left\|x_{t}\right\|}_{2}^{2}. Thus we can upper bound ♠\spadesuit as follows:

Putting the previous two results together, and using Young’s inequality:

F.2 Proof of Lemma 33

Let us consider the Lyapunov function l(yt,vt):=(∥yt∥22+∥yt+vt∥22−4R2)+4l(y_{t},v_{t}):={\left({\left\|y_{t}\right\|}_{2}^{2}+{\left\|y_{t}+v_{t}\right\|}_{2}^{2}-4R^{2}\right)}_{+}^{4}.

By calculating its derivatives we can verify that

Recall the dynamics of the variables yty_{t} and vtv_{t},

By Itô’s lemma we can study the time evolution of this Lyapunov function:

where (i)(i) can be proved by an argument similar to the proof of Lemma 35, and is omitted, while (ii)(ii) follows because

by the definition of l(x,u)l(x,u). Taking expectations on both sides, the term involving the Brownian motion, dBtdB_{t}, goes to zero. Note also that (yt,vt)(y_{t},v_{t}) is distributed according to the invariant distribution p∗p^{*} for all t≥0t\geq 0, therefore,

We now state and prove some auxillary lemmas that were useful in the proof above.

Let xtx_{t} be evolved according to the dynamics in Eq. (33). Then for all t≥0t\geq 0,

Let θk∼N(0,I)\theta_{k}\sim\mathcal{N}(0,I) then we have,

If ∥xkδ∥2≥R{\left\|x_{k\delta}\right\|}_{2}\geq R, then

where (i)(i) is by Assumption (A3), (ii)(ii) is by Assumption (A1), and (iii)(iii) is by our assumption that δ≤1κL\delta\leq\frac{1}{\kappa L}.

While I=if ∥xkδ∥2≤R{\left\|x_{k\delta}\right\|}_{2}\leq R, then

where (i)(i) is by Assumption (A1), and (ii)(ii) is by our assumption that δ≤1κL\delta\leq\frac{1}{\kappa L}.

By taking expectations with respect to the Brownian motion we get,

Applying this inequality recursively over kk steps we arrive at,

Let y∼p∗(y)∝e−U(y)y\sim p^{*}(y)\propto e^{-U(y)}. Then

Let l(y):=(∥y∥22−R2)+4l(y):={\left({\left\|y\right\|}_{2}^{2}-R^{2}\right)}_{+}^{4}. We calculate derivatives and verify that

where II is the identity matrix. By Itô’s Lemma:

Consider the other term on the right-hand side of Eq. (84):

where (i)(i) is by definition of l(y)l(y), while (ii)(ii) and (iii)(iii) are by Young’s inequality.

Put together into Eq. (84) and taking expectations,

Appendix G Existence of Coupling

We prove the existence of a unique strong solution for (xt,ut,yt,vt,τ⌊tν⌋)(x_{t},u_{t},y_{t},v_{t},\tau_{{\left\lfloor\frac{t}{\nu}\right\rfloor}}) inductively: Let kk be an arbitrary nonnegative integer, and suppose that the lemma statement holds for all s∈[0,kν]s\in[0,k\nu]. We show that the lemma statement holds for all s∈[0,(k+1)ν]s\in[0,(k+1)\nu].

First, we can verify that for t∈[kν,(k+1)ν)t\in[k\nu,(k+1)\nu),

that is, τ⌊tν⌋\tau_{{\left\lfloor\frac{t}{\nu}\right\rfloor}} is a constant, and so μ⌊tν⌋=μk\mu_{{\left\lfloor\frac{t}{\nu}\right\rfloor}}=\mu_{k} is also a constant.

Next, we find that for t∈[kν,(k+1)ν)t\in[k\nu,(k+1)\nu), the following is algebraically equivalent to dynamics described by Eqs.(11)–(14):

where we use the fact that μt\mu_{t} takes on a constant value over t∈[kν,(k+1)ν)t\in[k\nu,(k+1)\nu).

We proceed by applying Theorem 5.2.1 of Øksendal 2013, which states that if the following holds:

For all (x,y,u,v),(x′,y′,u′,v′)(x,y,u,v),(x^{\prime},y^{\prime},u^{\prime},v^{\prime}),

for some constant DD (where γ\gamma and γˉ\bar{\gamma} are functions of (x,y,u,v)(x,y,u,v), as defined in Eq. (15), similarly for γ′\gamma^{\prime}, γˉ′\bar{\gamma}^{\prime} and (x′,y′,u′,v′)(x^{\prime},y^{\prime},u^{\prime},v^{\prime})),

then there is a solution (xt,yt,ut,vt)(x_{t},y_{t},u_{t},v_{t}) for t∈[kν,(k+1)ν]t\in[k\nu,(k+1)\nu] with the properties:

(xt,yt,ut,vt)(x_{t},y_{t},u_{t},v_{t}) is unique and tt-continuous with probability one.

(xt,yt,ut,vt)(x_{t},y_{t},u_{t},v_{t}) is adapted to the filtration Ft\mathcal{F}_{t} generated by (xkν,ykν,ukν,vkν)(x_{k\nu},y_{k\nu},u_{k\nu},v_{k\nu}) and dBtdB_{t} and dAtdA_{t} for t∈[kν,(k+1)ν)t\in[k\nu,(k+1)\nu).

We can verify the first condition holds by using Lemma 32 and Lemma 33. Condition 2 holds due to our smoothness assumption, Assumption (A1).

We can verify that Condition 3 also holds using the argument below:

From the definition of M\mathcal{M} in Eq. (15), we know that ∣M(r)′∣≤12∣sin⁡(r⋅2π/β)∣⋅2πβ≤πβ{\left|\mathcal{M}(r)^{\prime}\right|}\leq\frac{1}{2}{\left|\sin{\left(r\cdot 2\pi/\beta\right)}\right|}\cdot\frac{2\pi}{\beta}\leq\frac{\pi}{\beta}.

By definition of γt\gamma_{t} in Eq. (15),

where we use the upper bound we established on ∣M′(r)∣{\left|\mathcal{M}^{\prime}(r)\right|}.

To bound the first term, we consider two cases:

If ∥x∥2≤β/2{\left\|x\right\|}_{2}\leq\beta/2, M(∥x∥2)=0\mathcal{M}({\left\|x\right\|}_{2})=0 and we are done.

If ∥x∥2≥β/2{\left\|x\right\|}_{2}\geq\beta/2, we verify that the transformation T(x)=x∥x∥2T(x)=\frac{x}{{\left\|x\right\|}_{2}} has Jacobian ∇T(x)=1∥x∥2(I−xxT∥x∥2)\nabla T(x)=\frac{1}{{\left\|x\right\|}_{2}}{\left(I-\frac{xx^{T}}{{\left\|x\right\|}_{2}}\right)}, so that ∥∇T(x)∥2≤1∥x∥2{\left\|\nabla T(x)\right\|}_{2}\leq\frac{1}{{\left\|x\right\|}_{2}}. By our earlier assumption that ∥x∥2≤∥y∥2{\left\|x\right\|}_{2}\leq{\left\|y\right\|}_{2}, we know that ∥ax+(1−a)y∥2≥β/2{\left\|ax+(1-a)y\right\|}_{2}\geq\beta/2 for all a∈a\in. Therefore,

By the triangle inequality and some algebra, we obtain:

where the first two inequalities are due to the triangle inequality. Combined with the fact that M(r)≤1\mathcal{M}(r)\leq 1 for all rr, we can bound Eq. (85) by 8β∥x−y∥2\frac{8}{\beta}{\left\|x-y\right\|}_{2}.

A similar argument can be used to show that γˉt\bar{\gamma}_{t} is Lipschitz. Let N(x):=(1−(1−2M(∥x∥2))2)1/2\mathcal{N}(x):={\left(1-{\left(1-2\mathcal{M}{\left({\left\|x\right\|}_{2}\right)}\right)}^{2}\right)}^{1/2}. Then we verify that

The proof is almost identical to the proof of (85), so we omit it, but highlight two crucial facts:

Thus we find that Condition 3 is satisfied with D=16βD=\frac{16}{\beta}, and in turn show that (a)-(c) hold for t∈[kν,(k+1)ν]t\in[k\nu,(k+1)\nu]. From Eq. (17) we know that τ(k+1)ν\tau_{{(k+1)\nu}} is a function of (x(k+1)ν,u(k+1)ν,y(k+1)ν,v(k+1)ν,τk)(x_{(k+1)\nu},u_{(k+1)\nu},y_{(k+1)\nu},v_{(k+1)\nu},\tau_{k}). Thus we have shown the existence of a unique solution (xt,yt,ut,vt,τ⌊tν⌋)(x_{t},y_{t},u_{t},v_{t},\tau_{{\left\lfloor\frac{t}{\nu}\right\rfloor}}) for t∈[kν,(k+1)ν]t\in[k\nu,(k+1)\nu], where (xt,yt,ut,vt)(x_{t},y_{t},u_{t},v_{t}) is tt-continuous.

The proof of the lemma now follows by induction over kk. ∎

Let BtB_{t} and AtA_{t} be two independent Brownian motions, and let Ft\mathcal{F}_{t} be the σ\sigma-algebra generated by BsB_{s}, AsA_{s}; s≤ts\leq t, and (x0,u0,y0,v0)(x_{0},u_{0},y_{0},v_{0}).

For all t≥0t\geq 0, the stochastic process ϕt\phi_{t} defined in Eqs. (27) has a unique solution such that ϕt\phi_{t} is tt-continuous with probability one, and satisfies the following, for all s≥0s\geq 0:

ϕt\phi_{t} is adapted to the filtration Fs\mathcal{F}_{s}.

The proof is almost identical to that of Lemma 5. The main additional requirement is showing that there exists a constant DD such that for any (x,y,u,v)(x,y,u,v) and (x′,y′,u′,v′)(x^{\prime},y^{\prime},u^{\prime},v^{\prime}),

with γ\gamma (resp γ′\gamma^{\prime}) being a function of (x,y,u,v)(x,y,u,v) (resp γ′\gamma^{\prime}) as defined in (15). and rr being a function of (x,y,u,v)(x,y,u,v) as defined in (18). In the proof of Lemma 5, we already showed that γγT\gamma\gamma^{T} and γ′γ′T\gamma^{\prime}\gamma^{\prime T} are uniformly bounded and lipschitz, thus it is sufficient to show that

Thus ∥∇wf(r)∥2≤1{\left\|\nabla_{w}f(r)\right\|}_{2}\leq 1 using item (F2) of Lemma 31 and item 2 of Lemma 6.

this implies 87 which in turn implies (86). Note that ∥w−w′∥2≤∥u−u′∥2+∥v−v′∥{\left\|w-w^{\prime}\right\|}_{2}\leq{\left\|u-u^{\prime}\right\|}_{2}+{\left\|v-v^{\prime}\right\|}.

Appendix H Coupling and Discretization

We will show that Bˉt\bar{B}_{t} is a Brownian motion by using Levy’s characterization. The conclusion then follows immediately from the dynamics defined in Eq. (5).

Since BtB_{t} and AtA_{t} are Brownian motions, Bˉt\bar{B}_{t} is also a continuous martingale with respect to the filtration Ft\mathcal{F}_{t}. Further the quadratic variation of Bˉt\bar{B}_{t} over an interval [s,s′][s,s^{\prime}] is

where (i)(i) follows by the eigenvalue decomposition of the matrix (I−2M(∥ct∥2)ctctT∥ct∥22)2{\left(I-2\mathcal{M}({\left\|c_{t}\right\|}_{2})\frac{c_{t}c_{t}^{T}}{{\left\|c_{t}\right\|}_{2}^{2}}\right)}^{2}.

Thus the quadratic variation of Bˉt\bar{B}_{t} over the interval [s,s][s,s] is (s′−s)I(s^{\prime}-s)I, thus satisfying Levy’s characterization of a Brownian motion.

Using similar steps as Lemma 4, we can verify that

is a Brownian motion. The proof follows immediately. ∎

Given (xkδ,ukδ)(x_{k\delta},u_{k\delta}), the solution (xt,ut)(x_{t},u_{t}), for t∈(kδ,(k+1)δ]t\in(k\delta,(k+1)\delta], of the discrete underdamped Langevin diffusion defined by the dynamics in Eq. (7) is

It can be easily verified that the above expressions have the correct initial values (xkδ,ukδ)(x_{k\delta},u_{k\delta}). By taking derivatives, one can also verify that they satisfy the stochastic differential equations in Eq. (7). ∎

Conditioned on (xkδ,ukδ)(x_{k\delta},u_{k\delta}), the solution (x(k+1)δ,u(k+1)δ)(x_{(k+1)\delta},u_{(k+1)\delta}) of Eq. (7) is a Gaussian with mean,

Consider some t∈[kδ,(k+1)δ)t\in[k\delta,(k+1)\delta).

It follows from the definition of Brownian motion that the distribution of (xt,ut)(x_{t},u_{t}) is a 2d2d-dimensional Gaussian distribution. We will compute its moments below, using the expression in Lemma 39. Computation of the conditional means is straightforward, as we can simply ignore the zero-mean Brownian motion terms:

The conditional variance for utu_{t} only involves the Brownian motion term:

The Brownian motion term for xtx_{t} is given by

Here the second equality follows by Fubini’s theorem. The conditional covariance for xtx_{t} now follows as

Finally we compute the cross-covariance between xtx_{t} and utu_{t},

We thus have an explicitly defined Gaussian. Notice that we can sample from this distribution in time linear in dd, since all dd coordinates are independent. ∎