Exponential Ergodicity of the Bouncy Particle Sampler
George Deligiannidis, Alexandre Bouchard-Côté, Arnaud Doucet
Introduction
In particular, non-reversible MCMC algorithms based on piecewise deterministic Markov processes have recently emerged in applied probability , automatic control , physics and statistics . These algorithms perform well empirically so they have already found many applications; see, e.g., . However, to the best of our knowledge, quantitative convergence rates for this class of MCMC algorithms have only been established under stringent assumptions: establishes geometric ergodicity of such a scheme but only for targets with exponentially decaying tails, obtains sharp results but requires the state-space to be compact, while consider targets on the real line. Similar restrictions apply to limit theorems for ergodic averages, where for example in , a Central Limit Theorem (CLT) has been obtained but this result is restricted to targets on the real line. Establishing exponential ergodicity and a CLT under weaker conditions is of interest theoretically but also practically as it lays the theoretical foundations justifying calibrated confidence intervals around Monte Carlo estimates (for a review, see, e.g. ).
We focus here on the Bouncy Particle Sampler algorithm (BPS), a piecewise deterministic MCMC scheme proposed in and previously studied in , as it has been observed to perform empirically very well when compared to other state-of-the-art MCMC algorithms . In addition it has recently been shown in that BPS is the scaling limit of the (discrete-time) reflective slice sampling algorithm introduced in . In this paper we give conditions on the target distribution under which BPS is geometrically ergodic. These conditions hold whenever the target satisfies a curvature condition and has “regular tails”, that is tails decaying at least as fast as an exponential and at most as fast as a Gaussian.
When the target has tails thinner than a Gaussian, we show how a simple modification of the original BPS provides a geometrically ergodic scheme. This modified BPS algorithm uses a position-dependent rate of refreshment. This modification is easy to implement.
In the presence of thick-tailed targets which do not satisfy these geometric ergodicity assumptions, we follow the approach adopted in for the random walk Metropolis algorithm. We perform a change-of-variable to obtain a transformed target verifying our conditions. BPS is then used to sample this transformed target. By mapping back this process to the original parameterization, we obtain a geometrically ergodic algorithm.
We henceforth restrict our attention to dimensions ; for BPS coincides with the Zig-Zag process and the one-dimensional Zig-Zag process has been shown to be geometrically ergodic under reasonable assumptions in .
The rest of the paper is structured as follows. Section 2 contains background information on continuous-time Markov processes, exponential ergodicity and BPS. The main results are stated in Section 3. Section 4 establishes several useful ergodic properties of BPS and of its novel variants proposed here. The proofs of the main results can be found in Section 5.
Background and notation
Let denote a time-homogeneous, continuous-time Markov process on a topological space , where is the Borel -field of , and denote its transition semigroup with . For every initial condition , the process is defined on a filtered probability space , with the natural filtration, such that for any , times and any we have
We write to denote expectation with respect to .
Let denote the space of bounded measurable functions on , which is a Banach space with respect to the norm . We also write for the space of -finite, signed measures on . Given a measurable function , we define a metric on through
Suppose that a Borel probability measure is invariant for . We are interested in the exponential convergence of the process in the sense of -uniform ergodicity: that is there exists a measurable function and constants , , such that
The proof of -uniform ergodicity usually proceeds through the verification of an appropriate drift condition which is often expressed in terms of the (strong) generator of the process (see for example [10, pg. 28]). However, in this paper, it will prove useful to focus on the extended generator of the Markov process which is defined as follows. Let denote the set of measurable functions for which there exists a measurable function such that is integrable -almost surely for each and the process
is a local -martingale. Then we write and we say that is the extended generator of the process . This is an extension of the usual strong generator associated with a Markov process; for more details see and references therein. We will also need the concepts of irreducibility, aperiodicity, small sets and petite sets for which we refer the reader to .
2. The Bouncy Particle Sampler
The vector can be interpreted as a Newtonian collision on the hyperplane tangent to the gradient of the potential , hence the interpretation of as a position, and , as a velocity.
BPS defines a -invariant, non-reversible, piecewise deterministic Markov process taking values in . We introduce here a slightly more general version of BPS than the one discussed in . Let
Given any initial condition , a construction of a path of BPS is given in Algorithm 1. Various methods to simulate exactly are discussed in .
Equivalently, BPS can be defined as the Markov process on with infinitesimal generator defined by
for , the domain of , where the transition kernel is defined through
where as usual for a measurable function we write
Main results
Throughout this section, refer to Table for examples of target distribution with various tail behaviours where each of our Theorems are used to establish exponential ergodicity.
Let be such that
Assumption (A3) is not restrictive as in view of Assumption (A2), may only fail locally near the origin. Therefore if fails inside a compact set , we can always replace with .
From the proofs, it will be clear that Theorems 3.1 and 3.2 detailed further remain true if we replace Assumption (A0) by the following slightly weaker assumption
Although cumbersome, this alternative formulation will become useful in the proof of Theorem 3.3.
Under Assumption (A1), the embedded discrete-time Markov chain admits an invariant probability measure; see and Lemma 1. The Lyapunov function (3.1) is proportional to the inverse of the square root of the invariant distribution of this embedded discrete-time Markov chain.
is the density of the angle between a fixed unit length vector and a uniformly distributed vector on . The following Theorem holds.
Theorem 3.1 does not apply to targets with tails thinner than Gaussian or thicker than exponential distributions. As summarised in Table , it is also known that Metropolis adjusted Langevin algorithm (MALA), see [30, Theorems 4.2 and 4.3], and Hamiltonian Monte Carlo (HMC), see [21, Theorems 5.13 and 5.17], are not geometrically ergodic for such targets. We now turn our attention to these cases.
2. Thin-tailed targets
When the gradient grows faster than linearly in the tails any constant refreshment rate will eventually be negligible. It has been shown in that BPS without refreshment is not ergodic as the process can get stuck forever outside a ball of any radius. In our case, the refreshment rate does not vanish, but an easy back of the envelope calculation shows that refreshment in the tails will be extremely rare. This will result in long excursions during which the process will not explore the centre of the space.
The above discussion suggests that, when the target is thin-tailed, in the sense that the gradient of its potential grows super-linearly in the tails, we need to scale the refreshment rate accordingly in order for it to remain non-negligible in the tails. The next result makes this intuition more precise.
It is worth noting that although Langevin diffusions can be geometrically ergodic for thin-tailed targets, they typically cannot be simulated exactly and when discretised require an additional step, such as a Metropolis filter, to sample from the correct target distribution. This results in non-geometrically ergodic algorithms .
3. Thick-tailed targets
For targets with tails thicker than an exponential, that is when the gradient vanishes in the tails, the lack of exponential ergodicity of gradient-based methods such as MALA and HMC, is natural—the vanishing gradient induces random-walk like behaviour in the tails. This seems to be the main obstruction preventing extension of Theorem 3.1 to thick-tailed distributions.
However, similarly to , we can address this by transforming the target to one satisfying the assumptions of either Theorem 3.1, or Theorem 3.2. This guarantees that BPS with respect to the transformed target will be geometrically ergodic. As in we define the following functions for :
where are arbitrary constants. We also define the isotropic transformations , given by
From [19, Lemma 1] it follows that for , defines a -diffeomorphism, that is is bijective with .
Let for some , and . Then is distributed according to the Borel probability measure , with density given by , where by [19, equations (6) and (7)] we have that
Let denote the trajectory produced by the BPS algorithm targeting and let be defined through (3.1), similarly with in place of .
Let satisfy Assumption (A0). Then we have the following.
,
, and
,
then , with defined via (3.2), satisfies the assumptions of Theorem 3.1(b). In addition, the process , where , is -invariant and -uniformly ergodic, where with .
,
, and
,
then , with defined via (3.3) and such that , satisfies the assumptions of Theorem 3.2. In addition, the process , where , is -invariant and -uniformly ergodic, where with .
Suppose that , for , , and let
where is the identity matrix. Then satisfies the conditions of Theorem 3.3(a).
Let for some . Then satisfies the conditions of Theorem 3.3(b).
In the context of Theorem 3.3(a), while geometric ergodicity holds for all positive fixed , tuning this parameter may be useful in practice as pointed out by .
4. A Central Limit Theorem
Suppose that any of the conditions of Theorems 3.1 or 3.2 hold. Let such that , satisfies . Then for any such that and for any initial distribution, we have that
where is the solution of the Poisson equation , and satisfies for some constant .
Suppose that the conditions of Theorem 3.3(a) or Theorem 3.3(b) hold, let respectively, define , and let denote the corresponding Lyapunov function. Let such that , satisfies . Then for any such that and for any initial distribution, we have that
where is the solution of the Poisson equation , and is given in (2.4) with defined in (2.3) with replaced by and defined in (2.5) using defined in (2.2) with replacing .
Auxiliary results
To prove -uniform ergodicity we will use the following result.
[12, Theorem 5.2] Let be a Borel right Markov process taking values in a locally compact, separable metric space and assume it is non-explosive, irreducible and aperiodic. Let be its extended generator. Suppose that there exists a measurable function such that , and that for a petite set and constants we have
Then is -uniformly ergodic.
The BPS processes considered in this paper can be easily seen to satisfy the standard conditions in [10, Section 24.8], and thus by [10, Theorem 27.8] it follows that they are Borel right Markov processes. In addition since the process moves at unit speed, for any the first exit time from is at least , and thus, BPS is non-explosive.
We will next show that BPS remains -invariant when the refreshment rate is allowed to vary with , and that it is irreducible and aperiodic. Finally we will show that all compact sets are small, hence petite. To complete the proofs of Theorems 3.1 and 3.2 it remains to establish ( D ) which is done in Section 5.
The BPS process is invariant with respect to .
We prove invariance using the approach developed in , see also , where a link is provided between the invariant measures of and those of the embedded discrete-time Markov chain . The Markov transition kernel of this chain is given for by
where is defined in (2.5). We also define for the measure
as . This measure is finite by the integrability condition (A1). We set and . The measure satisfies , where is operator defined in [7, Section 3.3] mapping invariant measures of to invariant measures of . By [7, Theorem 3], is invertible. Therefore, from [7, Theorem 2], it suffices to prove the result to show that is invariant for which we now establish.
For continuous, bounded we have
proving that is invariant for . ∎
For all , , and Borel set ,
The proof is inspired by . Let be a bounded positive function. Let be the event that exactly two events have occurred up to time , and both of them are refreshments. Then
As the process moves at unit speed and , it follows that . Let
Fix and so that is now fixed. Since it follows that . Since also we must have that . Let be arbitrary. Then it follows that , and therefore there exists and such that
Then letting and be independent, for small enough we have
where is a constant, and where denotes quantities depending only on the variables in the bracket.
Therefore for all and there is a such that
and since is generic, we conclude that for all , and any Borel set
whence it follows that for any the set is petite.
Given any compact set , we can find such that , and we can easily conclude using the above that must also be petite.
The process is aperiodic.
We show that for some small set , there exists a such that for all and .
Let , , and suppose that . By Lemma 2, for all and Borel set , we have
Proofs of main results
To complete the proofs of Theorems 3.1 and 3.2 it remains to show that defined in (3.1) satisfies ( D ).
The expression for the generator provided in (2.4) is not well-defined for , which may not be continuously differentiable at the points such that . However, belongs to , the domain of , the extended generator (see [10, Section 26]) of BPS and this suffices for Theorem A to apply.
By Assumption (A0’), or the stronger Assumption (A0), it easily follows that for all the function is locally Lipschitz so it is absolutely continuous [10, Proposition 11.8]. Therefore by [10, Theorem 26.14], since there is no boundary (see [10, Section 24]), is bounded as a function of and the jump rate is locally bounded, it follows that .
However, at least at points such that , does not exist and therefore the expression given in (2.4) will not make sense. At these points we can express the extended generator in an alternative form given by
which coincides with (2.4) for continuously differentiable functions. The fact that this indeed coincides with the extended generator follows from the local Lipschitz property of and the proof of [10, Theorem 26.14, bottom of page 71]. Indeed, for any fixed , let denote the event times of BPS started from , the paths of which we denote with , where . Then
since the local Lipschitz property of also implies it is almost everywhere differentiable and equal to the integral of its derivative (see e.g. [10, Proposition 11.8]). Thus for almost every , the left and right derivatives of coincide and thus
From this and the proof of the first part of [10, Theorem 26.14] it follows that
is a local martingale and thus that coincides with the extended generator given in [10, Eq.(26.15)].
From the discussion in [10, p. 32], it is clear that for , the function is uniquely defined everywhere except possibly on a set of zero potential, that is
For the proof of Theorem 3.2, will not be well defined for the set which has zero potential, since the linear trajectories of BPS and the countable number of jumps, imply it can intersect this set at most a countable number of times.
2. Lyapunov functions
That follows from the discussion in Section 5.1. We now establish that is a Lyapunov function. First we compute . Notice that if , then by continuity there will be a neighborhood of on which will be differentiable. Therefore at those points .
since . Thus overall when we have
where is given in (3.1).
Case ⟨∇U(x),v⟩<0\langle\nabla U(x),v\rangle<0
Since there is no reflection and thus overall
Case ⟨∇U(x),v⟩=0\langle\nabla U(x),v\rangle=0
In this case we compute as
We first compute the directional derivative for which we can distinguish two cases. Suppose first that . Then we have that for all small enough
Therefore, since , in this case we can compute the first term of (5.3) as follows
Now consider the case where , then for all small enough
Adding the refreshment term we find that in this case
Condition (a)
Suppose that . Then from (5.4), by dropping the first term which is negative,
Case ⟨∇U(x),v⟩>0\langle\nabla U(x),v\rangle>0
Case ⟨∇U(x),v⟩<0\langle\nabla U(x),v\rangle<0
and arguing in the same way as in the previous case, given we can choose such that for all we have similarly to (5.5)
Since , for large enough and we have . Thus overall when
For define
Thus, there exists large enough so that for all and such that we have . Therefore ( D ) holds with .
Condition (b)
Recall that , so that we can choose large enough so that for all we have . Thus when
Clearly for all and for all , we have that as .
Case ⟨∇U(x),v⟩>0\langle\nabla U(x),v\rangle>0
Case ⟨∇U(x),v⟩<0\langle\nabla U(x),v\rangle<0
Let and consider
2.1. Position dependent refreshment
Then the function defined in (3.1) belongs to . If in addition the assumptions of Theorem 3.2 hold, is a Lyapunov function as it satisfies ( D ).
First we restrict our attention to the case where , for which we compute
After adding the reflection and refreshment terms we get
Thus when we have
When then
When , similarly to the proof of Lemma 4, by considering separately the case where and we find that
Thus for , after adding the refreshment term we have
where we also used the fact that . It therefore follows that
so that this term can be ignored for large . Also notice that
Case ⟨∇U(x),v⟩=0\langle\nabla U(x),v\rangle=0
Thus when , for large we have
Case ⟨∇U(x),v⟩>0\langle\nabla U(x),v\rangle>0
since and the quantity in brackets is clearly negative for large enough . Let and . Then observe that we can rewrite the right hand side as
since for it can be shown that
Thus it follows that for we have that .
Case ⟨∇U(x),v⟩<0\langle\nabla U(x),v\rangle<0
From (5.2.1) and (5.10) we have as
since the right hand side is clearly negative for large enough.
For define the function
This is negative for all for large enough. Therefore
3. Proof of Theorem 3.3
We will frequently use [19, Equations (11),(13)] which we state for the reader’s convenience,
Let be a Markov process whose generator is given by (2.4) with replaced by , and write for its transition kernels. Then letting for , from [6, Corollary 3], it follows that is also a Markov process with transition kernel given by for all where . It is also easy to see that if is -invariant, then will be -invariant–see also the discussion in [19, Theorem 6].
Suppose now that is -uniformly ergodic for some function , that is
for some and with admitting the density . Then we can see that
whence is -uniformly ergodic.
Under the assumptions of Theorem 3.3, the potentials defined in (3.5) satisfy Assumptions (A0)-(A2), when or .
Checking Assumption (A0’). Notice that from equations (3.3), (3.2) and (3.4), the functions , are infinitely differentiable except perhaps for and for , or for . Thus will satisfy Assumption (A0) for large enough and in fact everywhere except for for , and for . It remains to show that the mapping is locally Lipschitz at these points. First, from the definition of , it follows easily that the mapping will be continuous and piecewise smooth, and thus locally Lipschitz, at and for respectively. To deal with the remaining case , we next show that is in fact differentiable at .
Recall the decomposition of given in (3.6). The first term of (3.6) is given by
In the case , we have for small enough
Thus overall is differentiable at and thus locally Lipshitz.
We now deal with the second term of (3.6). From (5.11) we have
Since satisfies (A0) and is differentiable, the second term of clearly converges. The first term also converges since is continuous and
It follows that is differentiable at .
Checking Assumption (A1). For both and , a change of variable leads to
Here for clarity we use the notation for the gradient of the function in the bracket evaluated at and we will similarly use for its Hessian. We begin with the first term in (5.15). Under the assumptions of Theorem 3.3(a) we have, for and some constant , that and thus
Under the assumptions of Theorem 3.3(b), by Assumption 3.3(b)(b)-(ii), we can assume that there exists such that if then for some . Thus for large enough, say , we have
From (5.12) it follows easily that is bounded for both and , and thus
Checking Assumption (A2). For , notice that by [19, Lemma 4], and the fact that is isotropic in the sense of , it follows that
since . Thus it follows that
On the other for notice that by [19, Lemma 2], and the fact that is isotropic in the sense of , we obtain
From (5.11) it follows that . Therefore, using Assumption 3.3(b)(b)-(i)
Finally, recalling (5.16), for large enough, say , we have . Since by definition , and from (5.12) grows at most polynomially, we obtain
For notational simplicity, we assume but the argument can be generalized to other values. We start by establishing the first condition of Theorem 3.1(b), i.e. that satisfies our definition of exponential tail behaviour. In the remaining, assume .
By Assumption 3.3(a)(a)-(i) and Cauchy-Schwartz, we have for large enough
hence is a sub-exponentially light density as defined in [19, p. 3052]. This combined with Assumption 3.3(a)(a)-(iii), which is equivalent to [19, Eq. (17)], means that we can apply [19, Theorem 3] to obtain that is an exponentially light density as defined in [19, p. 3052]. Namely there is a negative constant such that
Applying Cauchy-Schwartz again, we obtain
which establishes the first condition of Theorem 3.1(b).
We now turn our attention to the Hessian condition of Theorem 3.1(b). We first decompose the norm of the Hessian as follows:
From [19, Lemma 1], we have for
so , and therefore
To control this remaining term, we bound the operator norm with the Frobenius norm and write
where we write as a shorthand for the -th partial derivative, .
It is enough to bound the expressions of the form
The first term in Equation (5.19) is controlled as follows:
Using again [19, Lemma 1], and the fact that , for large enough,
hence using Assumption 3.3(a)(a)-(ii), for large enough,
The second term in Equation (5.19) is controlled similarly, this time using Assumption 3.3(a)(a)-(i), for large enough,
Let , given in (3.3) and (3.4) respectively. We need to check that the assumptions of Theorem 3.2 are satisfied. First we check that
Recall from [19, Lemma 1] that for
where is the -identity matrix. Therefore we have
where denotes the orthogonal projection on the plane normal to . Therefore, since by definition , we have that
Since as , Assumption 3.3(b)(b)-(ii) and the definitions of and yield
Finally we need to check, that for some we have
Recall the expression (5.18). It follows easily from the definitions of , and [19, Lemma 1, Eq.(13)] that
Therefore we focus on the first term of (5.18). As in the proof of the first part of the Theorem, we need essentially to control terms of the form (5.20) and terms of the form (5.22). To this end, using Assumption 3.3(b)(b)-(iii), we estimate
since from (5.11) and the definitions of and one can easily show that . On the other hand, from Assumption 3.3(b)(b)-(i) and the fact that , which follows again from (5.11), the remaining terms can be estimated through
Therefore combining the above with the arguments leading to (5.24) we have that as
Notice that if satisfies ( D ) then for any , by Jensen’s inequality it follows that . Since , it follows that
and thus also satisfies ( D ). The result now follows from [14, Theorem 4.3]. ∎
Acknowledgements
The authors are grateful to François Dufour for useful discussions and pointing them towards and to Pierre Del Moral for having brought their attention to reference .