WorksMathematics
Entropy hypocoercivity and query complexity for the bouncy particle sampler
Abstract
We study convergence in relative entropy of the bouncy particle sampler with Gaussian velocity refreshment, for a target on with -strongly convex and -smooth, and condition number . For initial laws with bounded density relative to equilibrium, we show that the relative entropy decays exponentially up to an arbitrary additive error , with a rate that depends only logarithmically on the density bound and on . From a Gaussian cold start and with a suitably chosen refreshment rate, the relative entropy falls below after time . Combined with exact simulation by windowed thinning, this gives an expected gradient-query complexity of , improving the bound based on hypocoercivity.
Introduction and main results
We prove quantitative bounds on relative entropy decay and gradient-query complexity for the bouncy particle sampler (BPS) with Gaussian velocity refreshment. We consider an -strongly convex, -smooth potential and write for its condition number. For initial densities bounded relative to equilibrium, we obtain an entropy estimate consisting of an exponentially decaying term and an explicit additive remainder. The estimate holds for every constant refreshment rate. The remainder can be made arbitrarily small at the cost of a slower decay rate.
From a Gaussian cold start, we choose a constant refreshment rate for each prescribed accuracy and bound the deterministic time needed to reach that accuracy in relative entropy. Combining this convergence bound with exact simulation by windowed thinning gives an expected gradient-query complexity of , with logarithmic factors in , , and inverse accuracy suppressed.
Throughout, we assume and , with
We place the minimizer at the origin and normalize .
Write for the normalizing constant and for the Gaussian velocity law. The spatial target and joint equilibrium measure are
Let denote velocity averaging. For a constant refreshment rate , BPS has generator
At the minimizer, choose any unit vector for ; the bounce rate is zero there. Each refreshment event replaces the velocity by an independent draw from . The measure is invariant for this dynamics.
Let denote the BPS transition semigroup. We write for the law at time and for its density relative to . For a probability density with respect to , the relative entropy is
Theorem 1.1 (Entropy decay with an additive remainder). Suppose and . There is a universal constant such that, for every constant refreshment rate and every , the BPS trajectory satisfies
for all .
The density bound and the additive remainder are consistent with the obstruction of Monmarché and Wang [18 Theorem 2]: even for a standard Gaussian target, BPS admits no multiplicative KL contraction that is uniform over initial laws with small relative entropy. In (1), the rate depends on and , so the estimate gives no such uniform contraction.
Corollary 1.2 (Gaussian cold start). Suppose BPS is initialized from
For every , there is a constant refreshment rate such that at a deterministic time satisfying
Here is a universal constant.
Following Lu and Luo [15 Section 3.3], let denote the expected number of gradient queries used by windowed thinning up to time .
Corollary 1.3 (Expected gradient-query complexity). Suppose BPS is initialized from the Gaussian cold start in Corollary 1.2. For every , there are a constant refreshment rate and a deterministic horizon such that exact simulation by windowed thinning attains with expected gradient-query cost
Here is a universal constant.
The bound (3) is ; it relies on the windowed-thinning estimate of Lu and Luo [15 Proposition 9]. By data processing, the KL guarantees in Corollaries 1.2 and 1.3 also hold for the position marginal.
Following Lu [14], we add to the entropy a small multiple of the Wasserstein entropy current, which supplies the spatial dissipation that refreshment alone does not provide. For BPS, the time derivative of the current contains an additional defect term, a force correction that vanishes at local velocity equilibrium. We use convexity to express the defect term in terms of the potential difference along the transport, and retain the nonnegative log-determinant defect in the stress estimate of [14] to absorb it. On the region where the absolute potential difference along the transport is at most a cutoff level , a Gaussian entropy-duality bound and Jensen’s inequality control the defect term at a velocity-entropy cost proportional to . Outside this region, the propagated density bound makes the contribution exponentially small in ; this is the source of the additive remainder in Theorem 1.1.
Related works
The bouncy particle sampler originated with Peters and de With [20] and was developed into a general-purpose sampler by Bouchard-Côté, Vollmer, and Doucet [6]. Harris-type arguments establish its geometric ergodicity under tail and curvature conditions [10, 11]. Bierkens, Kamatani, and Roberts derived scaling limits of BPS in high dimension and for anisotropic targets [4, 5]. Agrawal, Bierkens, Kamatani, and Roberts [1] studied the transient phase of piecewise deterministic samplers through fluid limits.
Explicit convergence rates come from hypocoercivity. Andrieu, Durmus, Nüsken, and Roussel [2] developed hypocoercivity for a broad class of piecewise deterministic samplers, including BPS. Lu and Wang [16 Theorem 1] made the rate explicit in , , and , building on the analysis of underdamped Langevin dynamics by Cao, Lu, and Wang [9]. For the potentials considered here and , their bound on the BPS rate is of order . Eberle and Lörler [12] interpret BPS as a nonreversible lift of overdamped Langevin dynamics and show that such a lift improves the relaxation time by at most a square-root factor. In relative entropy, Monmarché and Wang [18 Theorem 2] showed that BPS admits no uniform multiplicative contraction over initial laws with small relative entropy, even for a standard Gaussian target. The density bound and the additive remainder in Theorem 1.1 are consistent with this obstruction; see the discussion after the theorem.
For query complexity, Lu and Luo [15] simulate BPS exactly by windowed thinning, with an expected number of gradient queries proportional to the time horizon. Combined with the rate of Lu and Wang, this gives gradient queries for total-variation accuracy from a Gaussian cold start [15 Theorem 3]. By Pinsker’s inequality, Corollary 1.3 gives the same guarantee with queries. The gain comes from how the initial law enters. In the analysis, the logarithm of its -divergence, of order up to for the cold start, multiplies the inverse rate . In Theorem 1.1, the density bound enters only through in the denominator of the rate, alongside . This yields the single square-root factor in (2).
Organization
Section 2 develops the moment equations and recalls the Wasserstein entropy current. Section 3 establishes the closed entropy and current inequalities. Section 4 then proves Theorem 1.1 and Corollaries 1.2 and 1.3. Appendix A supplies the regularity and approximation arguments for bounded initial densities.
AI Usage
This research was motivated by trying to reduce the cold-start complexity of our previous work [15] and to better understand the obstruction to entropy convergence of BPS [18]. Through our interactions with GPT 6 Astra, including various human suggestions to adapt the argument of accelerated entropy convergence in [14] and [13], the AI model suggested using a version of entropy decay with a defect term. The authors subsequently simplified the estimate, rewrote the proofs, and prepared the manuscript. We take full responsibility for its contents.
Preliminaries
For a probability density relative to , let be the spatial density relative to and the conditional velocity density relative to when . On , set . Following [14 Section 2], write for the velocity current. Entropy decomposes as
For a time-dependent density , write . We suppress the time subscript in calculations at a fixed time.
Since is the density relative to , it satisfies the forward equation in distributions, where is the adjoint of in . Explicitly,
Let denote the adjoint of in . Taking the zeroth and first velocity moments of (4) gives, in distributions,
Here is the centered stress tensor, with quotients by set to zero on . The quantity is the one-sided second moment of in the direction , normalized so that when . The signed force defect therefore vanishes at local velocity equilibrium. We suppress the spatial arguments of and in the moment equations. Equations (2.2)–(2.3) parallel the moment equations for underdamped Langevin dynamics; see [14 (4.1) and (4.3)]. The only new term is the defect term in (6), which arises because BPS uses bounces in place of the force .
To derive (6), multiply (4) by and apply . We compute the transport, bounce, and refreshment contributions to in turn. The transport term contributes
For the bounce term, recall that is an orthogonal reflection with . The substitution therefore preserves and maps to , so that
Hence the bounce contribution is . In the last transport term, write and split . The negative parts cancel against the bounce contribution, and the two terms combine into
The first equality uses , , and ; the second is the definition (8). Finally, since has mean zero, refreshment contributes . Adding the three contributions, and then using the stress decomposition (7) and , gives
Thus the bounce contribution, combined with the last transport term, gives the force . The defect term is its deviation from the Hamiltonian force .
We next recall the Wasserstein entropy current, as defined in [14]. Let be the Brenier map [8] from to . The Brenier displacement and Wasserstein entropy current are
Strong convexity gives a logarithmic Sobolev constant by the Bakry–Émery criterion [3]. The entropy-current bound of Lu [14 Lemma 3.2 and its proof] therefore gives
Entropy and current inequalities
We establish the two differential inequalities that yield entropy decay. The main estimate controls the potential-difference term arising from the defect term. On a truncated region, we use the log-determinant defect defined in (14) together with spatial and conditional velocity entropy. On the complement, the density bound gives an exponentially small remainder.
Proposition 3.1 (Entropy inequalities for bounded initial densities). Suppose and . For every constant refreshment rate and every , the BPS trajectory satisfies
Here
The inequalities hold in distributions in time, and and are continuous on .
Proposition 3.1 parallels the entropy dissipation identity and the current inequality for underdamped Langevin dynamics in [14 (3.1) and (6.1)]. Refreshment dissipates the conditional velocity entropy directly. We therefore keep the current inequality in terms of . The defect term in (6) vanishes at local velocity equilibrium. Without this force correction, the argument of [14] would give
To control the defect term, we use convexity of and retain the log-determinant defect that the stress bound of [14 Lemma 5.3] discards. Comparison with (12) shows the price: a coefficient linear in the cutoff level and the additive remainder , which depends on the density bound .
Subsection 3.1 derives the current inequality for regular densities. Subsection 3.2 controls the defect term and completes the proof of Proposition 3.1. Appendix A supplies the technical justifications, approximation, and continuity arguments.
Current inequality with a log-determinant defect
Let denote the almost everywhere derivative of the Brenier map. Define the nonnegative log-determinant defect
The quantity is twice the midpoint Jensen gap of between and . Its nonnegativity follows from convexity of .
Let be the covariance under , so that the centered stress tensor (7) is .
Let be the relative entropy of , so that . Here and below, means .
Proposition 3.2 (Entropy-current inequality). Suppose is smooth and is a curve of probability densities with satisfying (5)–(8). Assume that is a regular density-current pair in the sense of Li and Lu [13 Definition 2.5], with spatial reference . Assume also that is smooth in position and continuously differentiable in time, and that , locally uniformly in time. Then, in distributions in time,
Proof. We bound the two terms in the weak Wasserstein acceleration inequality of Li and Lu [13 Lemma 2.7]:
Substituting (6) and integrating by parts as justified in Lemma A.2 gives
where the singular contribution is nonpositive and the colon denotes the Frobenius inner product.
The centered conditional velocity law has covariance and relative entropy . Apply entropy duality to this law with test function . Since , its Gaussian exponential moment is , as in [14 Lemma 5.1]. Hence
Convexity gives . Since , the integrand in (16) is therefore at most
The Monge–Ampère identity [17]
holds -almost everywhere, with there; see Lemma A.1. By (14) and (17), the last display equals
Integrating against in (16) proves (15). □
Control of the defect term
We bound the last integral in (15) using , up to entropy terms and an exponentially small remainder. The coefficient of conditional velocity entropy is linear in the cutoff level and independent of the condition number.
We estimate the last integral separately on and its complement, where
The choice of balances a velocity-entropy coefficient linear in against an exponentially small remainder.
Lemma 3.3 (A one-sided Gaussian exponential moment). For every unit vector and ,
Proof. The formula follows by Gaussian symmetry and direct integration. Direct differentiation gives
Integrating twice from proves (19). □
Lemma 3.4 (Defect-term estimate on ). Let be a probability density relative to , with . For and -almost every point in ,
Consequently, with the integral understood in the extended sense,
Proof. Fix a point in where , , and (17) holds. Apply entropy duality to the probability measures and with test function
In the Gaussian exponential-moment bound (19), take
Since , we have . Therefore
Multiplying by gives
We next bound the square using . For , we have . Thus
Let be the eigenvalues of . The Monge–Ampère identity and the definition of give
Apply Jensen’s inequality to the convex function with weight at each of , and weight at zero. The weights are nonnegative because . Evenness of then gives
To control the remaining spatial term, use for :
Substitute this inequality and (23) into (22), and subtract . This proves (20).
For the integrated estimate, the nonnegative spatial entropy density satisfies
At points where , this density equals . The set has zero -mass. Consequently,
On , the defect term is integrable and , so the integral is well defined. Discarding in (20) and using proves (21). □
It remains to bound the defect term outside . We first record tail and moment bounds for the potential.
Lemma 3.5 (Tail and truncated second-moment bounds for the potential). Let be a convex potential with minimum zero and finite partition function. Then, for every ,
Proof. Translate a minimizer to the origin, so that . Convexity then gives , and the change of variables yields
Markov’s inequality gives the tail bound. Integrating it gives
These bounds make the defect term outside exponentially small in the cutoff level.
Lemma 3.6 (Defect-term estimate on ). Let be a probability density relative to , with . For every ,
Proof. Since , the events and give, respectively,
Hence and imply
Conditional Jensen and give
Since , it follows that . Cauchy–Schwarz therefore gives
Proof of Proposition 3.1. Entropy dissipation requires no smoothing. The semigroup of transport and bouncing preserves and contracts relative entropy. Conditioning on the last refreshment in an interval of length and using convexity gives
Taking difference quotients in distributions proves (11).
For the current inequality, first assume the regularity hypotheses of Proposition 3.2. Combining (15) with Lemmas 3.4 and 3.6, and discarding the nonpositive tail contribution of , gives
This is (12) with (13). Lemma A.3 extends the current inequality to bounded initial densities and gives continuity of the entropy and current.
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Entropy decay and query complexity
We prove the entropy-decay estimate and the resulting convergence-time and gradient-query bounds from a Gaussian cold start.
Proof of Theorem 1.1. Fix and . We first work with an arbitrary cutoff . For , define the modified entropy
Equation (10) gives
Young’s inequality and (10) give
Combining this bound with the two inequalities in Proposition 3.1 gives
Choose
so that the coefficient in brackets is . This choice also satisfies . Since , the differential inequality and (25) yield
The continuity in Proposition 3.1 lets Grönwall’s inequality start at . Together with the two sides of (25) and the value of , it gives
To obtain the prescribed additive error, choose
where is a sufficiently large universal constant. Since and , this choice satisfies . Since , the definition (13) gives when is large enough. Moreover,
Substituting these bounds into (26) proves (1). □
Proof of Corollary 1.2. We apply Theorem 1.1 with . The initial density satisfies
The inequality uses and . Hence .
Let be the constant in Theorem 1.1, reduced if necessary so that . Set
We apply the theorem with additive error and choose
The refreshment rate balances and in the denominator of the decay rate. With additive error , the rate in (1) is . The horizon in (29) makes the exponentially decaying term at most , so . Since and ,
Substituting this bound into (29) gives (2).
Proof of Corollary 1.3. Choose the refreshment rate and horizon from the proof of Corollary 1.2, and use window length . We verify the horizon restrictions in the query estimate of Lu and Luo [15 Proposition 9, (27)], which reads
The Gaussian cold start and constant refreshment rate satisfy the remaining hypotheses of that estimate.
The horizon in (29) satisfies the first restriction because , , , and . For the second restriction, (28) gives
Exactness of windowed thinning and Corollary 1.2 give the entropy guarantee. Substituting (2) into the query bound proves (3).
Appendix A. Approximation for bounded initial densities
We justify the logarithmic terms and integration by parts used in Proposition 3.2, and the approximation and continuity statements used in Proposition 3.1. The approximation follows [14 Section 7], with the regularity conditions of [13 Definition 2.5] verified below.
Lemma A.1 (Jacobian logarithms). Let be a probability density relative to with . The Alexandrov derivative is positive definite -almost everywhere, and (17) holds there. Moreover, .
Proof. Both transport marginals are absolutely continuous. The monotone change-of-variables theorem [17 Theorem 4.4 and Remark 4.5] gives
Since -almost everywhere, this identity gives . Together with , it proves and (17) there. The bound gives . Both and are integrable against , by the density bound, Gaussian tails, and the pushforward identity. Equation (17) therefore gives the claimed logarithmic integrability.
Lemma A.2 (Spatial integration by parts). Under the hypotheses of Proposition 3.2, the integration by parts in (16) is valid, and its singular contribution is nonpositive. Moreover, , locally uniformly in time.
Proof. We follow the localized BV argument in [14 Lemma 5.3], retaining the exact logarithmic determinant. The regular density-current assumption gives a positive spatial density with full support. The Brenier potential is therefore finite throughout , and . Its distributional derivative is , where is a nonnegative singular measure and . By the regularity assumptions, has a continuous positive semidefinite representative. Under a nonnegative cutoff , the singular part is therefore
The cutoff boundary term vanishes as by Cauchy–Schwarz, since both and are finite. The weighted assumptions justify the remaining pairings. To justify the global BV decomposition, set . Since
these assumptions and the second spatial moment give . For increasing cutoffs , the nonnegative quantity
therefore has a finite limit: the localized integration by parts expresses it as plus the vanishing boundary term. Thus , and no divergent trace terms are subtracted in the global decomposition. The force pairing converges by Cauchy–Schwarz, which justifies the integration by parts in (16).
For the logarithmic integrals, Gaussian entropy duality for the centered conditional velocity law, with test function , gives the pointwise bounds
The lower bound uses . The upper bound and the integrability of and prove that this logarithm is integrable. Lemma A.1 then gives , locally uniformly in time by the weighted assumptions and . □
Lemma A.3 (Extension to bounded initial densities). Under the hypotheses of Proposition 3.1, the current inequality (12) holds in distributions in time. Both and are continuous on .
Proof. Regularization. Assume first that , so for all . We convolve the trajectory in position at every time. Let , let be the potential of normalized to have minimum zero, and let be the density of relative to . Averaging gives . The potential is smooth and
Indeed, let and be independent, and set . Differentiating the convolution gives
The conditional potential has Hessian at least , so the Brascamp–Lieb inequality [7] bounds its covariance by . The two identities give the lower and upper bounds in (A.1). Conditional Jensen and also give
We verify the regularity hypotheses of Proposition 3.2 for this convolved path. Write and for the Lebesgue densities of and , and set . Define
For the regularity verification, denotes finite constants depending also on , but not on .
For a stationary BPS process , stochastic continuity gives for bounded continuous . Density and contraction extend this to . Since , truncation gives, for every nonnegative polynomial ,
For and every spatial multi-index , testing the weak BPS equation against gives continuous time derivatives of the convolved moments. The tests and their generator images have polynomial growth, locally uniformly in , so (A.3) justifies this in every local spatial derivative norm. Hence .
The conditional velocity density is bounded by , so . The spatial Gaussian convolution estimate in [13 proof of Lemma B.15] gives
Let , where is the conditional covariance, and set . The centered-moment differentiation and Cauchy–Schwarz estimate in [13 proof of Proposition B.18] use only the bound on and (A.4); they require no time or velocity convolution. With , these estimates and (A.2) give
For the BPS acceleration, define
The absolute moment equations give
Conditional Cauchy–Schwarz in the joint convolution and imply . Therefore
These bounds, normalization, the density bounds, and the continuity equation verify [13 Definition 2.5] and the additional assumptions of Proposition 3.2. No uniformity in is needed here.
Moment equations of the regularized density. Position convolution commutes with transport and refreshment but changes the defect term. At a fixed time, the conditional law of given , for and independent , is
The conditional velocity density is . In the convolved moment equations, the defect term becomes , where
Current inequality for the regularized density. The proof of Proposition 3.2 gives (15) for the convolved moments with and , and the additional term . To control the averaged defect term, put . The Gaussian bound (19) is independent of , so averaging entropy duality at each fixed scalar gives
Also, conditional Jensen’s inequality gives
These are the velocity inputs in the proofs of Lemmas 3.4 and 3.6, which therefore apply with , , , and , with the same remainder . Moreover, , while convexity gives . Thus the entropy cost is controlled by that of the original trajectory.
For the commutator, let , , and be independent, and put . Set and . Then
Conditional Cauchy–Schwarz, , and give
The last bound uses and Lipschitz continuity of . Cauchy–Schwarz and Talagrand’s inequality [19], with constant and , now give
where depends only on , uniformly in , , and .
Combining the defect-term and commutator bounds as in the regular case gives, in distributions in time,
Removing the regularization. Let . The spatial entropy enters with a negative sign, so its lower semicontinuity under narrow convergence suffices, by Fatou’s lemma against nonnegative time tests. Transport stability [13 Appendix A, Step 2] and uniqueness of the Brenier map identify every limit of the joint laws of under as the law of under . The density bound and pushforward identity give uniform fourth moments, hence uniform integrability of the current integrands. Thus , with a bound uniform in and by (10). Passing to the limit in the weak formulation gives (12).
To remove the floor , apply this result to the initial density with . Since constant densities are stationary, the corresponding solution is , with values in . Let . The same limits apply, and convexity gives . Similar approximation arguments appear in [13 Appendix B] and [14 Section 7].
Continuity. The map is continuous in , as verified in the regularization argument, and . Hence is continuous by dominated convergence. The same stability argument for Brenier maps shows that is continuous. □
References
DEPARTMENT OF MATHEMATICS, DEPARTMENT OF PHYSICS, AND DEPARTMENT OF CHEMISTRY, DUKE UNIVERSITY
Email address: [email protected]
DEPARTMENT OF MATHEMATICS, DUKE UNIVERSITY
Email address: [email protected]
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