Entropic Optimal Transport: Geometry and Large Deviations

Espen Bernton, Promit Ghosal, Marcel Nutz

Introduction

Over the last three decades, optimal transport theory has flourished due to its connections with geometry, analysis, probability theory, and other fields in mathematics; see for instance . Following computational advances which have enabled high-dimensional applications, a renewed interest comes from applied fields such as machine learning, image processing and statistics. Popularized in this area by Cuturi , entropic regularization is a key computational approach for high-dimensional problems. The resulting entropic optimal transport problem provides an approximate optimal transport when solved for small regularization parameter ε>0\varepsilon>0 while admitting much more efficient algorithms than the unregularized problem, in addition to having other desirable properties. We defer the discussion of related literature to Section 1.1 below and proceed with a synopsis of the present study.

where Π(μ,ν)\Pi(\mu,\nu) is the set of couplings and H(⋅∣μ⊗ν)H(\cdot|\mu\otimes\nu) denotes relative entropy (or Kullback–Leibler divergence) with respect to the product of the marginals; see Section 2 for the formal definitions. The constant ε>0\varepsilon>0 acts as a regularization parameter; ε=0\varepsilon=0 recovers the (unregularized) optimal transport problem. Under mild conditions detailed in Sections 2 and 3, respectively, the entropic optimal transport problem admits a unique solution πε∈Π(μ,ν)\pi_{\varepsilon}\in\Pi(\mu,\nu) and πε\pi_{\varepsilon} converges weakly to a solution π∗\pi_{*} of the unregularized problem. Our main interest is to quantify the speed of this convergence πε→π∗\pi_{\varepsilon}\to\pi_{*}.

In the present study, we adopt a different, more local perspective, from which the Gaussian example is actually encouraging: the density of πε\pi_{\varepsilon} decays exponentially away from Γ\Gamma. Indeed, it is proportional to e−α∣y−T(x)∣2/εe^{-\alpha|y-T(x)|^{2}/\varepsilon}, where α>0\alpha>0 is the quotient of the marginal variances.

The main result of this paper is a comparable statement in a remarkably general setting; it takes the form of a large deviations principle. We define a function I(x,y)I(x,y) through the following optimization. In addition to the given point (x,y)=:(x1,y1)(x,y)=:(x_{1},y_{1}), choose finitely many points (x2,y2),…,(xk,yk)(x_{2},y_{2}),\dots,(x_{k},y_{k}) from the support Γ\Gamma of the limiting optimal transport π∗\pi_{*}, as well as a permutation σ∈Σ(k)\sigma\in\Sigma(k). Then, consider the difference

between the pointwise transport costs from xix_{i} to yiy_{i} with the costs for the permuted destinations yσ(i)y_{\sigma(i)}. The optimization is to maximize this difference, and we define I(x,y)I(x,y) as the supremum value of (1.2) over all choices of points and permutations. For (x,y)∈Γ(x,y)\in\Gamma, the optimality of π∗\pi_{*} implies that I(x,y)=0I(x,y)=0, because Γ\Gamma is cc-cyclically monotone. But outside Γ\Gamma, we may typically expect that I(x,y)>0I(x,y)>0. Part (a) of our theorem below, the large deviations upper bound, shows that II is a lower bound for the rate function in the general Polish setting. The matching bound (b) necessitates a condition on the optimal transport problem that is being approximated—but still holds for the majority of continuous or semi-discrete transport problems of interest. We mainly discuss the uniqueness of Kantorovich potentials (Assumption 4.4) as a sufficient condition; it also gives rise to an insightful representation of II as I(x,y)=c(x,y)−ψc(y)+ψ(x)I(x,y)=c(x,y)-\psi^{c}(y)+\psi(x), the difference between the cost c(x,y)c(x,y) and the solution of the dual optimal transport problem (see Proposition 4.5). An alternative condition imposing regularity of the optimal transport (Assumption 4.9) is also considered. Tacitly assuming the existence of πε\pi_{\varepsilon} and its weak limit (cf. Sections 2 and 3), the main result reads as follows.

Let Γ=spt⁡π∗\Gamma=\operatorname{spt}\pi_{*} where π∗=lim⁡ε→0πε\pi_{*}=\lim_{\varepsilon\to 0}\pi_{\varepsilon} is the limiting optimal transport and define I:X×Y→[0,∞]I:\mathsf{X}\times\mathsf{Y}\to[0,\infty] by (4.3).

For any compact set C⊂X×YC\subset\mathsf{X}\times\mathsf{Y},

Let Assumption 4.4 or Assumption 4.9 hold, and consider the sets X0=proj⁡XΓ\mathsf{X}_{0}=\operatorname{proj}_{\mathsf{X}}\Gamma and Y0=proj⁡YΓ\mathsf{Y}_{0}=\operatorname{proj}_{\mathsf{Y}}\Gamma of full marginal measure. For any open set U⊂X0×Y0U\subset\mathsf{X}_{0}\times\mathsf{Y}_{0},

The theorem shows in particular that the rate depends (only) on the geometry of π∗\pi_{*}, which does not seem to be clear a priori. We mention that our result can also be stated in terms of (static) Schrödinger bridges. In this context, it is a large deviations principle for the small-noise (or small-time) limit; cf. Section 1.1.

For finitely supported marginals, the density of πε\pi_{\varepsilon} converges exponentially for any cost function; that is, the rate function is strictly positive outside Γ\Gamma. We shall see that the analogue may fail in the continuous case. Rather, positivity depends on the geometry of the cost. The twist condition (injectivity of ∇xc(x,⋅)\nabla_{x}c(x,\cdot)) plays an important role, like in many results on optimal transport. We include affirmative positivity results in particular for quadratic costs, which is the most important case for applications. While not pursued in the present paper, our results should also be useful to derive detailed quantitative bounds on the rate in more specific settings. We may also hope to gain insights into how the rate depends on the dimension.

Geometry is a cornerstone in the now-classical theory of optimal transport, where optimality is captured geometrically by the cc-cyclical monotonicity of a transport’s support. Defined by comparing costs at finitely many points, it yields a powerful tool to derive fundamental results such as stability of optimal transports under weak limits or existence of dual potentials. We are not aware of a comparable technique in the literature on entropic optimal transport (or on Schrödinger bridges). In this paper, we exploit a cyclical invariance property satisfied by the density of πε\pi_{\varepsilon}. The invariance itself can be understood as a reformulation of a classical characterization for πε\pi_{\varepsilon} through the solution of the dual problem, the Schrödinger potentials. The novelty here lies in exploiting the geometric aspect and working on the primal side, following the spirit of cc-cyclical monotonicity. Like in classical optimal transport, the arguments are remarkably simple and general once the correct notions are in place. Our technique is a departure from the control-theoretic methods in the related literature. Case in point, the geometric proof that a weak limit π=lim⁡ε→0πε\pi=\lim_{\varepsilon\to 0}\pi_{\varepsilon} is an optimal transport (cf. Proposition 3.2), is nearly trivial compared to the Gamma-convergence technique, even in the general Polish context. (Of course, Gamma-convergence is applicable to many other problems where our technique has no analogue.)

We also emphasize another benefit which may illustrate that cyclical invariance is in fact more than just a reformulation of control theory or convex analysis: the geometry singles out a unique coupling πε\pi_{\varepsilon} even if the value function (1.1) is infinite and hence the usual notion of solution as a minimizer is not meaningful. This is crucial for instance if costs are quadratic but one of the marginal distributions does not have a finite second moment. Our arguments for the large deviations result apply in that setting without any added difficulty, paralleling the geometric insights in classical optimal transport. (On the other hand, the existence of πε\pi_{\varepsilon} in the case of infinite value functions is not immediate. We establish it in , together with a stability theorem for πε\pi_{\varepsilon}, using the same geometric standpoint.) Indeed, we expect the technique to be useful in several other aspects of entropic optimal transport and Schrödinger bridges, and thus the technique may be as important a contribution as the main theorem.

The present paper is organized as follows. After reviewing motivations for our research and related literature in the remainder of this Introduction, Section 2 details the basic definitions and introduces cyclical invariance. In Section 3, this notion is used to prove that cluster points of πε\pi_{\varepsilon} as ε→0\varepsilon\to 0 have cc-cyclically monotone support, hence are optimal transports. The main result on large deviations is obtained in Section 4: part (a) of Theorem 1.1 is stated as Corollary 4.3 whereas (b) is split into Corollaries 4.7 and 4.12, each covering one of the two alternative assumptions. Section 5 gives examples of settings where the rate function II is strictly positive outside the support Γ\Gamma, with a focus on quadratic costs. Appendix A contains facts about Schrödinger bridges and a derivation of the cyclical invariance property. In Appendix B, we detail two general settings where Assumption 4.4 on the uniqueness of Kantorovich potentials is satisfied. Finally, Appendix C shows how to translate the results on the positivity of II in Section 5 from quadratic costs to more general cost functions by means of cc-convex analysis.

In the literature on finite-dimensional linear programs and their entropic regularization, the early work contains a very detailed study of primal and dual convergence, expansion of the value function, and characterizations of the rates. Their setting includes discrete optimal transport problems with marginals supported by finitely many points, and in that case the pointwise results in certainly include the large deviations result for ε→0\varepsilon\to 0. On the other hand, our main theorem is most relevant when at least one marginal support is connected, hence is complementary to the discrete case. More recently, proved an exponential convergence bound for finite-dimensional linear programs. While the bound is not sharp in a pointwise sense, the result is non-asymptotic; i.e., holds for all ε\varepsilon below a known threshold. Moreover, the constants are known in terms of the data, which provided valuable intuition for our construction of the rate function II. One may also observe how the constants in blow up as the cardinality of the support increases.

Continuing with a different branch of related literature, recall that entropic optimal transport can also be phrased as the (static) Schrödinger bridge problem. Informally stated, consider a system of diffusing particles from time t0t_{0} to t1t_{1} in thermal equilibrium, and a given joint “reference” law RR for its configuration at those times. If marginals (μ,ν)(\mu,\nu) differing from the ones of RR are observed, what is the most likely evolution (joint law of μ,ν\mu,\nu) of the system conditional on RR? Schrödinger’s answer amounts to π∗=arg min⁡Π(μ,ν)H(⋅∣R)\pi^{*}=\operatorname*{arg\,min}_{\Pi(\mu,\nu)}H(\cdot|R); see for extensive surveys including historical accounts. (This is the static formulation. Given the origins in physics, it is natural that much of the literature focuses on the dynamic Schrödinger bridge problem, which asks for the dynamic evolution of the particle system over time t∈[t0,t1]t\in[t_{0},t_{1}]. The static problem is recovered by projecting to the marginals.)

The minimization of H(⋅∣R)H(\cdot|R) over Π(μ,ν)\Pi(\mu,\nu) coincides with the entropic optimal transport problem (1.1) if we introduce the cost function c:=−εlog⁡(α−1dR/d(μ⊗ν))c:=-\varepsilon\log(\alpha^{-1}dR/d(\mu\otimes\nu)), where the parameter ε>0\varepsilon>0 is arbitrary and α\alpha is a normalizing constant (we tacitly assume that R∼μ⊗νR\sim\mu\otimes\nu). Conversely, taking (1.1) as the starting point, defining R(ε)R(\varepsilon) by dR(ε)/d(μ⊗ν)=αe−c/εdR(\varepsilon)/d(\mu\otimes\nu)=\alpha e^{-c/\varepsilon} yields the associated Schrödinger bridge problem. Assuming for simplicity that {c=0}\{c=0\} is the graph of a function f:X→Yf:\mathsf{X}\to\mathsf{Y}, Theorem 1.1 is then a large deviations principle as the reference measure R(ε)R(\varepsilon) degenerates to a deterministic coupling (meaning that a particle with given origin xx travels to the predetermined destination f(x)f(x)).Schrödinger’s ideas about the “most likely evolution” are usually presented as a large deviations result in the modern literature. That result is very different from the one just discussed. This is also called the small-noise or small-time limit. While not pursued here, it seems plausible that a similar principle could be established for more general sequences R(ε)R(\varepsilon). From the point of view of Schrödinger bridges, another interesting follow-up question is whether a comparable large deviations result can be stated for the dynamic problem on path space.

Mikami first highlighted the connection between Schrödinger equations and optimal transport in the small-noise limit; see also for a connection through a fluid dynamic formulation. Léonard studied Schrödinger bridges in a series of works starting with ; see for further references. In , he established convergence of the value function to an optimal transport problem in the sense of Gamma-convergence for a general formulation of the problem. See also where a very accessible proof of the Gamma-convergence is presented for quadratic costs. More recently, study the limit in specific settings and determine higher-order terms in the expansion of the Schrödinger (or entropic) value function around the optimal transport cost. These works complement earlier results of showing that the large deviation rate function for the empirical distribution of independent Brownian particles with drift is asymptotically equivalent to the Jordan–Kinderlehrer–Otto functional arising in the Wasserstein gradient flow. We mention that also considers the large-time limit (corresponding to ε→∞\varepsilon\to\infty); cf. for recent developments. The setup in is closest to ours in that the entropic penalty and the limit ε→0\varepsilon\to 0 are formulated in the same way, whereas the literature on Schrödinger bridges often formulates the zero-noise limit through a vanishing Laplacian. We also mention , establishing convergence of the dual potentials for compact marginals (see for a follow-up and more on the relation to the present work).

While the focus of the aforementioned works is on value functions and global quantities, the present study focuses on the local geometry and convergence. The value functions are not used at all, and so it is quite natural that the results hold even when costs are infinite. We are not aware of a large deviations principle similar to ours in the extant literature. One concrete example where these aspects are of interest, are the multidimensional ranks and quantiles that have been introduced in statistics to extend the usual scalar notions and familiar nonparametric tests; see . Here Brenier’s map is fundamental, but like in the scalar case, moment conditions are not natural. McCann’s geometric extension of Brenier’s map (see also [58, pp. 249–258]) can be used to provide a definition irrespectively of the finiteness of the value function. Unlike their scalar counterparts, the ranks defined through optimal transport are computationally expensive. Entropic optimal transport resolves that issue and provides an approximate Brenier’s map. Leveraging this idea, a notion of “differentiable ranks” based on entropic optimal transport was recently proposed in . We expect that our results can be used to study the local deviations of these differentiable ranks from the unregularized ones.

Related to our technique in a broader sense, there have been recent works successfully using ideas of cc-cyclical monotonicity outside the setting of classical optimal transport. Examples include martingale optimal transport and optimal Skorokhod embeddings . Finally, we mention the intriguing “optimal entropy-transport problem” studied in . Here, the usual optimal transport problem is relaxed in that the marginal constraints are replaced by an entropic penalty relative to a given pair of measures. While similar in name, this problem is quite different from ours, where the marginal constraints are strictly enforced and the entropy of the joint distribution is used as penalty.

Cyclical Invariance

where Π(μ,ν)\Pi(\mu,\nu) is the set of all couplings; that is, probability measures π\pi on X×Y\mathsf{X}\times\mathsf{Y} with marginals μ=(proj⁡X)#π\mu=(\operatorname{proj}_{\mathsf{X}})_{\#}\pi and ν=(proj⁡Y)#π\nu=(\operatorname{proj}_{\mathsf{Y}})_{\#}\pi. Given a constant ε>0\varepsilon>0, the entropic optimal transport problem is

where HH denotes the relative entropy or Kullback–Leibler divergence,

As detailed in Proposition A.1 of Appendix A, this problem admits a unique minimizer πε\pi_{\varepsilon} whenever the value (2.2) is finite; i.e., whenever

Moreover, we then have πε∼P\pi_{\varepsilon}\sim P.

A coupling π∈Π(μ,ν)\pi\in\Pi(\mu,\nu) is called (c,ε)(c,\varepsilon)-cyclically invariant if π∼P\pi\sim P and its density admits a version dπdP:X×Y→(0,∞)\frac{d\pi}{dP}:\mathsf{X}\times\mathsf{Y}\to(0,\infty) such that

We omit the qualifier (c,ε)(c,\varepsilon) when there is no ambiguity. One elementary way to motivate Definition 2.1 is to derive a first-order condition of optimality for (2.2) through variational arguments in the case of discrete marginals, which indeed yields (2.4). Cyclical invariance can be phrased more succinctly using the auxiliary reference measure R=R(ε)R=R(\varepsilon) defined by the Gibbs kernel

where α=(∫e−c/ε dP)−1\alpha=(\int e^{-c/\varepsilon}\,dP)^{-1} is the normalizing constant. As R∼PR\sim P, we can state (2.4) as

This condition, in turn, is related to a multiplicative decomposition of the density dπ/dRd\pi/dR; cf. Appendix A. For our analysis of the limit ε→0\varepsilon\to 0, the less elegant definition (2.4) will be the more useful one, as it makes explicit the role of ε\varepsilon and links directly to the cc-cyclical monotonicity condition of optimal transport.

(a) There is at most one (c,ε)(c,\varepsilon)-cyclically invariant coupling π∈Π(μ,ν)\pi\in\Pi(\mu,\nu).

(b) Let (2.3) hold. Then π∈Π(μ,ν)\pi\in\Pi(\mu,\nu) is (c,ε)(c,\varepsilon)-cyclically invariant if and only if it minimizes (2.2). Moreover, there exists a unique such coupling.

The proof is detailed in Appendix A. Under Condition (2.3), Proposition 2.2 shows the equivalence between minimality and cyclical invariance. The notion of minimality is meaningful only under (2.3), otherwise all couplings have infinite cost. By contrast, we show in that the notion of cyclical invariance remains meaningful in this context of infinite costs: existence and uniqueness hold under mild regularity conditions; e.g., when X,Y\mathsf{X},\mathsf{Y} are Euclidean spaces and cc is continuous.

In the remainder of this paper, we simply assume that a (c,ε)(c,\varepsilon)-cyclically invariant coupling πε∈Π(μ,ν)\pi_{\varepsilon}\in\Pi(\mu,\nu) exists for every ε>0\varepsilon>0, rather than imposing Condition (2.3) as in much of the literature. One reason is that this condition precludes some applications of interest to us. In any event, the arguments in this paper do not simplify if (2.3) is assumed.

Cluster Points as ε→0→𝜀0\varepsilon\to 0

Denote by πε\pi_{\varepsilon} the unique (c,ε)(c,\varepsilon)-cyclically invariant coupling. In this section we show that cluster points of πε\pi_{\varepsilon} as ε→0\varepsilon\to 0 are cc-cyclically monotone. The estimates leading to that conclusion are obtained by simply integrating the cyclical invariance condition.

Let k≥2k\geq 2 and 0≤δ≤δ′≤∞0\leq\delta\leq\delta^{\prime}\leq\infty. Define

and let A⊂Ak(δ,δ′)A\subset A_{k}(\delta,\delta^{\prime}) be Borel. Then πεk:=∏i=1kπε(dxi,dyi)\pi_{\varepsilon}^{k}:=\prod_{i=1}^{k}\pi_{\varepsilon}(dx_{i},dy_{i}) satisfies

Suppose in addition that \bar{A}:=\big{\{}(x_{i},y_{i+1})_{i=1}^{k}:(x_{i},y_{i})_{i=1}^{k}\in A\big{\}} satisfies lim inf⁡ε→0εlog⁡πεk(Aˉ)=0\liminf_{\varepsilon\to 0}\varepsilon\log\pi_{\varepsilon}^{k}(\bar{A})=0. Then

Set Z=dπε/dPZ=d\pi_{\varepsilon}/dP. Using (2.4), we have for PkP^{k}-a.e. (xi,yi)i=1k∈A(x_{i},y_{i})_{i=1}^{k}\in A that

Integrating over AA with respect to Pk=∏P(dxi,dyi)=∏P(dxi,dyi+1)P^{k}=\prod P(dx_{i},dy_{i})=\prod P(dx_{i},dy_{i+1}) yields

which is (3.1). Analogously, πεk(A)≥e−δ′/επεk(Aˉ)\pi_{\varepsilon}^{k}(A)\geq e^{-\delta^{\prime}/\varepsilon}\pi_{\varepsilon}^{k}(\bar{A}) and hence

so that (3.2) follows under the stated condition on Aˉ\bar{A}. ∎

In all that follows, probability measures are considered with weak convergence; i.e., the topology induced by bounded continuous functions. We recall that Π(μ,ν)\Pi(\mu,\nu) is weakly compact; cf. [58, p. 45]. As a consequence, any sequence of couplings admits at least one cluster point, and any cluster point is a coupling. A set Γ⊂X×Y\Gamma\subset\mathsf{X}\times\mathsf{Y} is called cc-cyclically monotone if ∑i=1kc(xi,yi)≤∑i=1kc(xi,yi+1)\sum_{i=1}^{k}c(x_{i},y_{i})\leq\sum_{i=1}^{k}c(x_{i},y_{i+1}) for all k≥1k\geq 1 and (xi,yi)∈Γ(x_{i},y_{i})\in\Gamma, 1≤i≤k1\leq i\leq k.

Let cc be continuous and let π\pi be a cluster point of (πε)(\pi_{\varepsilon}) as ε→0\varepsilon\to 0. Then spt⁡π\operatorname{spt}\pi is cc-cyclically monotone, hence π\pi is an optimal transport as soon as the optimal transport problem (2.1) is finite. If (2.1) admits a unique cc-cyclically monotone coupling π∗∈Π(μ,ν)\pi_{*}\in\Pi(\mu,\nu), then πε→π∗\pi_{\varepsilon}\to\pi_{*} as ε→0\varepsilon\to 0.

Rate Function

Throughout this section, the cost function cc is assumed to be continuous. For simplicity of exposition, we shall also assume that

for some (necessarily cc-cyclically monotone) transport π∗∈Π(μ,ν)\pi_{*}\in\Pi(\mu,\nu). However, if it is merely known that πεn→π∗\pi_{\varepsilon_{n}}\to\pi_{*} along a specific sequence εn→0\varepsilon_{n}\to 0, then all of our results hold along that sequence, regardless of whether (πε)(\pi_{\varepsilon}) has other cluster points. In fact, the arguments in this paper are complementary to the question of convergence discussed in the preceding paragraph: given the convergence of a sequence, we describe the large deviations.

In this subsection we introduce the function II and show the large deviations upper bound; i.e., that II provides a lower bound for the large deviations rate. With the definitions in place, the arguments are straightforward and apply in great generality. We write Br(z)B_{r}(z) for the open ball of radius rr around zz, in any metric space. The first lemma is a way to bound the decay of a ball in X×Y\mathsf{X}\times\mathsf{Y} based on the estimate for subsets of (X×Y)k(\mathsf{X}\times\mathsf{Y})^{k} in Lemma 3.1.

Let (x,y)∈X×Y(x,y)\in\mathsf{X}\times\mathsf{Y}. Suppose there exist (xi,yi)2≤i≤k⊂spt⁡π∗(x_{i},y_{i})_{2\leq i\leq k}\subset\operatorname{spt}\pi_{*} with k≥2k\geq 2 such that

Given δ<δ0\delta<\delta_{0}, there exist α,r,ε0>0\alpha,r,\varepsilon_{0}>0 such that

For i≥2i\geq 2 we have lim inf⁡πε(Bi)≥π∗(Bi)\liminf\pi_{\varepsilon}(B_{i})\geq\pi_{*}(B_{i}) due to the weak convergence πε→π∗\pi_{\varepsilon}\to\pi_{*}, and βi:=π∗(Bi)>0\beta_{i}:=\pi_{*}(B_{i})>0 as (xi,yi)∈spt⁡π∗(x_{i},y_{i})\in\operatorname{spt}\pi_{*}. Let β=min⁡i≥2βi\beta=\min_{i\geq 2}\beta_{i}. Then πε(Bi)≥β/2\pi_{\varepsilon}(B_{i})\geq\beta/2 for i≥2i\geq 2 and ε\varepsilon small, and thus (4.2) yields πε(B1)≤(β/2)1−ke−δ/ε\pi_{\varepsilon}(B_{1})\leq(\beta/2)^{1-k}e^{-\delta/\varepsilon}. ∎

Denote by Σ(k)\Sigma(k) the set of permutations of {1,…,k}\{1,\dots,k\}. Next, we state the definition of I(x,y)I(x,y); it is designed to capture the rate δ\delta in Lemma 4.1 and optimize it over the choice of (xi,yi)2≤i≤k(x_{i},y_{i})_{2\leq i\leq k}.

Given a cc-cyclically monotone set ∅≠Γ⊆X×Y\emptyset\neq\Gamma\subseteq\mathsf{X}\times\mathsf{Y}, define

where (x1,y1):=(x,y)(x_{1},y_{1}):=(x,y). Then I:X×Y→[0,∞]I:\mathsf{X}\times\mathsf{Y}\to[0,\infty] is lower semicontinuous and I=0I=0 on Γ\Gamma. We have

and equality holds as soon as x∈X0:=proj⁡XΓx\in\mathsf{X}_{0}:=\operatorname{proj}_{\mathsf{X}}\Gamma or y∈Y0:=proj⁡YΓy\in\mathsf{Y}_{0}:=\operatorname{proj}_{\mathsf{Y}}\Gamma.

We have I≥0I\geq 0 as σ=Id⁡\sigma=\operatorname{Id} is a possible choice in (4.3). For (x,y)∈Γ(x,y)\in\Gamma, the difference of sums in (4.3) is nonpositive by cyclical monotonicity. The semicontinuity follows from the continuity of cc.

Let I′(x,y)I^{\prime}(x,y) be the right-hand side of (4.4). As the pairs (xi,yi)i=2k(x_{i},y_{i})_{i=2}^{k} can be relabeled arbitrarily, this is the same as (4.3) except that the last supremum in (4.4) is taken over σ∈Σ(k)∖{Id⁡}\sigma\in\Sigma(k)\setminus\{\operatorname{Id}\}. If I(x,y)>0I(x,y)>0, the identity permutation is not optimal for the relevant pairs (xi,yi)i=2k(x_{i},y_{i})_{i=2}^{k} and equality must hold in (4.4). Thus, if equality fails, then I(x,y)=0I(x,y)=0 whereas I′(x,y)<0I^{\prime}(x,y)<0. Let x∈X0x\in\mathsf{X}_{0}, then we can choose k=2k=2 and (x2,y2)∈Γ(x_{2},y_{2})\in\Gamma with x2=xx_{2}=x, which yields ∑i=12c(xi,yi)−∑i=12c(xi,yi+1)=0\sum_{i=1}^{2}c(x_{i},y_{i})-\sum_{i=1}^{2}c(x_{i},y_{i+1})=0 and hence I′(x,y)≥0I^{\prime}(x,y)\geq 0. The argument for y∈Y0y\in\mathsf{Y}_{0} is symmetric. ∎

The reader may ignore the difference between (4.3) and (4.4); it is merely a notational nuisance. We have the following result for the cc-cyclically monotone set Γ:=spt⁡π∗\Gamma:=\operatorname{spt}\pi_{*}, also stated as Theorem 1.1 (a) in the Introduction.

For any compact set C⊂X×YC\subset\mathsf{X}\times\mathsf{Y},

Fix η>0\eta>0 and (x,y)∈C(x,y)\in C. By the definition of I(x,y)I(x,y) there are k≥1k\geq 1 and (xi,yi)i=2k⊂Γ(x_{i},y_{i})_{i=2}^{k}\subset\Gamma such that

where (x1,y1):=(x,y)(x_{1},y_{1}):=(x,y) and Iη(x,y):=I(x,y)∧η−1I_{\eta}(x,y):=I(x,y)\wedge\eta^{-1}. (The truncation is needed only if I(x,y)=∞I(x,y)=\infty.) Lemma 4.1 thus yields a ball Br(x,y)B_{r}(x,y) with

This holds for every (x,y)∈C(x,y)\in C, and as CC is covered by finitely many such balls, we deduce that

Recalling that η>0\eta>0 was arbitrary, the claim follows. ∎

We note that the measure π∗=lim⁡επε\pi_{*}=\lim_{\varepsilon}\pi_{\varepsilon} is not compactly supported in general. It is then an open problem how to relax the compactness condition in Corollary 4.3 and hence obtain a “stronger” version of the large deviations principle.

2 Large Deviations Lower Bound

Our next aim is to show that II is also an upper bound for the large deviations rate, thus matching the bound in Corollary 4.3. This will be accomplished in two slightly different settings and approaches. The dual approach expresses II as the gap (4.6) between the cost cc and the solution of the dual optimal transport problem, whereas the primal directly uses the definition (4.3) of II and imposes regularity conditions. The results correspond to Theorem 1.1 (b) in the Introduction.

We start with the dual approach, first recalling some standard notions of optimal transport—we have tried to consistently use the notation of . A proper function ψ:X→(−∞,∞]\psi:\mathsf{X}\to(-\infty,\infty] is called cc-convex if there exists some ζ:Y→[−∞,∞]\zeta:\mathsf{Y}\to[-\infty,\infty] such that ψ(x)=sup⁡y∈Y[ζ(y)−c(x,y)]\psi(x)=\sup_{y\in\mathsf{Y}}[\zeta(y)-c(x,y)] for all x∈Xx\in\mathsf{X}. Its cc-conjugate is defined by ψc(y):=inf⁡x∈X[ψ(x)+c(x,y)]\psi^{c}(y):=\inf_{x\in\mathsf{X}}[\psi(x)+c(x,y)] for y∈Yy\in\mathsf{Y}, and its cc-subdifferential is

Given a cc-cyclically monotone set Γ\Gamma, a cc-convex function ψ\psi is called a Kantorovich potential if Γ⊂∂cψ\Gamma\subset\partial_{c}\psi; that is, if ψc(y)−ψ(x)=c(x,y)\psi^{c}(y)-\psi(x)=c(x,y) on Γ\Gamma. This implies in particular that ψ,ψc\psi,\psi^{c} are finite on

In the context of optimal transport, spt⁡π⊂∂cψ\operatorname{spt}\pi\subset\partial_{c}\psi for some optimal π∈Π(μ,ν)\pi\in\Pi(\mu,\nu) implies that ∂cψ\partial_{c}\psi contains the support of any optimal transport. Indeed, ∂cψ\partial_{c}\psi is a maximal cc-monotone set for inclusion. In what follows, the cyclically monotone set of interest is Γ=spt⁡π∗\Gamma=\operatorname{spt}\pi_{*}, where π∗\pi_{*} is the limiting optimal transport (4.1).

Uniqueness of Kantorovich potentials holds on X0\mathsf{X}_{0}; that is, for any cc-convex functions ψ1,ψ2\psi_{1},\psi_{2} on X\mathsf{X} with Γ⊂∂cψi\Gamma\subset\partial_{c}\psi_{i}, it holds that ψ1−ψ2\psi_{1}-\psi_{2} is constant on X0\mathsf{X}_{0}.

This is often considered a fairly weak assumption, at least for differentiable cost functions, and we detail sufficient conditions in Proposition B.2 of Appendix B. However, we emphasize that connectedness of at least one marginal support is crucial (cf. Example 4.8 below).

As announced, Assumption 4.4 allows us to express II through the Kantorovich potential; see (4.6). For our present purpose, the key consequence is (4.7). It is worth noting that (4.6) also allows us to translate a large body of known results about cc-convex functions, such as regularity results, into statements about II. Finally, the gap (4.6) also plays a role in the regularity theory of optimal transport maps (especially in ), thus relating to the second approach in Section 4.2.2 below.

for any Kantorovich potential ψ\psi. In particular, I<∞I<\infty on X0×Y0\mathsf{X}_{0}\times\mathsf{Y}_{0}. If (x,y),(x′,y′)∈X0×Y0(x,y),(x^{\prime},y^{\prime})\in\mathsf{X}_{0}\times\mathsf{Y}_{0} are such that (x′,y),(x,y′)∈Γ(x^{\prime},y),(x,y^{\prime})\in\Gamma, then

We first elaborate on Assumption 4.4. A particular family of Kantorovich potentials, sometimes called Rockafellar antiderivatives of Γ\Gamma, is defined as follows (cf. [58, Equation (5.17), p. 65]): fix (x0,y0)∈Γ(x_{0},y_{0})\in\Gamma and set

It then holds that ψ(x0,y0)(x)=0\psi_{(x_{0},y_{0})}(x)=0 for x=x0x=x_{0}. Clearly Assumption 4.4 implies that changing the reference point (x0,y0)(x_{0},y_{0}) only changes this potential by a constant. In particular,

does not depend on (x0,y0)∈Γ(x_{0},y_{0})\in\Gamma, and we may simply write Ψ:=Ψ(x0,y0)\Psi:=\Psi_{(x_{0},y_{0})}. Indeed, under Assumption 4.4, Ψ\Psi is even the same for any potential ψ\psi.

We now use this independence to prove the lemma. To avoid notational conflict, we first rewrite the definition (4.8) as

where we have used the last part of Lemma 4.2. In view of ψ(xˉ,y)(xˉ)=0\psi_{(\bar{x},y)}(\bar{x})=0, the fact that Ψ(xˉ,y)=c\Psi_{(\bar{x},y)}=c on Γ\Gamma shows in particular that c(xˉ,y)=ψ(xˉ,y)c(y)c(\bar{x},y)=\psi^{c}_{(\bar{x},y)}(y), and hence the preceding display yields

By the first part of the proof, Ψ(xˉ,y)(⋅)=Ψ(⋅)\Psi_{(\bar{x},y)}(\cdot)=\Psi(\cdot) does not depend on (xˉ,y)(\bar{x},y) and the above is precisely (4.6).

To see (4.7), let (x′,y),(x,y′)∈Γ(x^{\prime},y),(x,y^{\prime})\in\Gamma. Using that I=0I=0 on Γ\Gamma by Lemma 4.2 and then (4.6),

where the last line vanishes as Ψ\Psi is a sum of marginal functions (4.9). ∎

The proof of Proposition 4.5 is based on the condition that

which may seem weaker than Assumption 4.4. However, Assumption 4.4 is in fact equivalent to (4.11); the proof is stated below. As a direct consequence, another equivalent condition is that the Rockafellar antiderivative (4.8) be independent of (x0,y0)(x_{0},y_{0}). The symmetry of (4.11) shows that it is further equivalent to impose the analogue of Assumption 4.4 on Y\mathsf{Y} instead of X\mathsf{X}.

By construction, the Rockafellar antiderivative ψ0:=ψ(x0,y0)\psi_{0}:=\psi_{(x_{0},y_{0})} of (4.8) has the minimality property ψ0≤ξ\psi_{0}\leq\xi on X0\mathsf{X}_{0} whenever ξ\xi is a potential with ξ(x0)=0=ψ0(x0)\xi(x_{0})=0=\psi_{0}(x_{0}). (See [58, p. 62], or for a more general result and further context.) Consider another point (x1,y1)∈Γ(x_{1},y_{1})\in\Gamma, let ψ1:=ψ(x1,y1)\psi_{1}:=\psi_{(x_{1},y_{1})} and let ξ\xi be any potential. Using the minimality twice,

Given (4.11), the right-hand side can be expressed as

which is the left-hand side. It follows that ψ0(x1)−ψ0(x0)=ξ(x1)−ξ(x0)\psi_{0}(x_{1})-\psi_{0}(x_{0})=\xi(x_{1})-\xi(x_{0}) for any potential ξ\xi, and as x0,x1∈X0x_{0},x_{1}\in\mathsf{X}_{0} were arbitrary, Assumption 4.4 holds. ∎

We can now show the large deviations lower bound.

Let Assumption 4.4 hold. For any open set U⊂X0×Y0U\subset\mathsf{X}_{0}\times\mathsf{Y}_{0},

It suffices to show that given (x,y)∈U(x,y)\in U and η>0\eta>0, there exists r0>0r_{0}>0 such that for all r<r0r<r_{0},

Let η>0\eta>0, pick any (x′,y′)∈X0×Y0(x^{\prime},y^{\prime})\in\mathsf{X}_{0}\times\mathsf{Y}_{0} such that (x′,y),(x,y′)∈Γ(x^{\prime},y),(x,y^{\prime})\in\Gamma, and set

We have I(x,y)<∞I(x,y)<\infty and I(x′,y′)<∞I(x^{\prime},y^{\prime})<\infty by Proposition 4.5. For r>0r>0 small enough we may use Lemma 3.1 with δ′:=α+η/2\delta^{\prime}:=\alpha+\eta/2 and Br(x,y)×Br(x′,y′)⊂A2(0,δ′)B_{r}(x,y)\times B_{r}(x^{\prime},y^{\prime})\subset A_{2}(0,\delta^{\prime}) to obtain

On the other hand, for rr small enough, Lemma 4.1 yields as in (4.5) that

Using (4.12), then (4.7) and finally (4.13),

The following simple example shows that if both marginals supports are disconnected (and Assumption 4.4 is violated), II may fail to be an upper bound for the rate function.

Consider the normalized 2×22\times 2 assignment problem: X=Y={1,2}\mathsf{X}=\mathsf{Y}=\{1,2\} and μ=ν=(δ{1}+δ{2})/2\mu=\nu=(\delta_{\{1\}}+\delta_{\{2\}})/2. Here Π(μ,ν)\Pi(\mu,\nu) is the convex hull of the two couplings

In particular, every π∈Π(μ,ν)\pi\in\Pi(\mu,\nu) is symmetric: π{(1,2)}=π{(2,1)}\pi\{(1,2)\}=\pi\{(2,1)\}. Consider a cost function cc with c(1,1)=c(2,2)=0c(1,1)=c(2,2)=0 and c(1,2)+c(2,1)>0c(1,2)+c(2,1)>0. Then π∗\pi_{*} is the unique optimal transport and we know that πε→π∗\pi_{\varepsilon}\to\pi_{*}. Let

be the exponential rate of convergence. Using Lemma 3.1 with

for δ:=c(1,2)+c(2,1)>0\delta:=c(1,2)+c(2,1)>0 shows r(1,2)+r(2,1)=δr(1,2)+r(2,1)=\delta. As πε\pi_{\varepsilon} must be symmetric, we conclude that the true exponential rate is

(A priori, it may not be obvious that the limit (4.14) exists, but a posteriori, this is justified as every subsequential limit leads to the same value.) On the other hand, the definition (4.3) of II readily yields that I≡0I\equiv 0.

2.2 Bound via Regularity

In the remainder of the section we present an alternative approach to the large deviations lower bound which does not (directly) refer to potentials but instead employs a continuity condition for the limiting optimal transport π∗\pi_{*}. We call a subset of a metric space arcwise connected if any two points are connected by a continuous curve of finite length.

(a) Γ=graph⁡T\Gamma=\operatorname{graph}T for a map T:X0→YT:\mathsf{X}_{0}\to\mathsf{Y}.

(b) X0\mathsf{X}_{0} is arcwise connected.

(c) The function c(⋅,T(⋅))c(\cdot,T(\cdot)) has the following continuity property: given a compact K⊂X0K\subset\mathsf{X}_{0}, we have uniformly over x1,x2∈Kx_{1},x_{2}\in K that

and TT is uniformly continuous on compact sets. General sufficient conditions for the continuity of TT can be found in [19, Theorem 1].

Next, we show how to establish the key half of (4.7) under Assumption 4.9.

Let Assumption 4.9 hold. If (x,y),(x′,y′)∈X0×Y0(x,y),(x^{\prime},y^{\prime})\in\mathsf{X}_{0}\times\mathsf{Y}_{0} are such that (x′,y),(x,y′)∈Γ(x^{\prime},y),(x,y^{\prime})\in\Gamma, then

Set (x1,y1):=(x,y)(x_{1},y_{1}):=(x,y) and (x1′,y1′):=(x′,y′)(x^{\prime}_{1},y^{\prime}_{1}):=(x^{\prime},y^{\prime}). Let k≥2k\geq 2 and consider arbitrary (xi,yi),(xi′,yi′)∈Γ(x_{i},y_{i}),(x^{\prime}_{i},y^{\prime}_{i})\in\Gamma for 2≤i≤k2\leq i\leq k. The definition of II yields that

This holds in particular for the choices xk:=x′x_{k}:=x^{\prime} and xk′:=xx^{\prime}_{k}:=x, which entail that yk=T(x′)=yy_{k}=T(x^{\prime})=y and yk′=T(x)=y′y^{\prime}_{k}=T(x)=y^{\prime}. Moreover, we have yi=T(xi)y_{i}=T(x_{i}) and yi′=T(xi′)y^{\prime}_{i}=T(x^{\prime}_{i}) for i≥2i\geq 2. Separating the first term of the first sum and the last term of the second sum, we obtain that

We further choose xi′:=xk−i+1x^{\prime}_{i}:=x_{k-i+1} for i=2,…,k−1i=2,\dots,k-1, which implies yi′=yk−i+1y^{\prime}_{i}=y_{k-i+1} for i=2,…,k−1i=2,\dots,k-1. Then the first sum can be rearranged as

(These rearrangements are elementary if tedious; Figure 1 may be helpful to complete them.)

where, always with the conventions x1=xx_{1}=x and xk=x′x_{k}=x^{\prime},

It remains to show that given η>0\eta>0, we can achieve Ξk≥−η\Xi_{k}\geq-\eta by a suitable choice of kk and x2,…,xk−1x_{2},\dots,x_{k-1}. Fix a continuous, rectifiable curve φ:→X0\varphi:\to\mathsf{X}_{0} with φ(0)=x\varphi(0)=x and φ(1)=x′\varphi(1)=x^{\prime}, and denote its length by CC. For each k≥2k\geq 2 there exist 0=t1<t2<⋯<tk−1<tk=10=t_{1}<t_{2}<\dots<t_{k-1}<t_{k}=1 such that xi:=φ(ti)x_{i}:=\varphi(t_{i}) satisfy d(xi,xi+1)≤C/(k−1)d(x_{i},x_{i+1})\leq C/(k-1) for all 1≤i≤k−11\leq i\leq k-1. Applying Assumption 4.9 on the compact set φ()\varphi(), we have that

The preceding arguments can be generalized to handle certain discontinuities in TT, even though at a discontinuity, (4.15) can only be expected with o(1)o(1) rather than o(d(x1,x2))o(d(x_{1},x_{2})). Indeed, the conclusion of (4.2.2) still holds if for a bounded number of ii’s, the term under the sum is only o(1)o(1). For instance, this can be used to handle the case of semi-discrete transport with quadratic cost, where ν\nu has finite support and hence the transport map is necessarily discontinuous.

Let Assumption 4.9 hold. For any open set U⊂X0×Y0U\subset\mathsf{X}_{0}\times\mathsf{Y}_{0},

The argument is similar to the proof of Corollary 4.7, using the inequality (4.16) instead of the equality (4.7). In the course of the argument one also obtains that (4.16) already implies (4.7). We omit the details. ∎

Positivity of the Rate Function

The aim of this section is to establish that, under certain conditions, I(x,y)I(x,y) of (4.3) is strictly positive for (x,y)∈X0×Y0(x,y)\in\mathsf{X}_{0}\times\mathsf{Y}_{0} outside the support Γ\Gamma of the limiting optimal transport π∗\pi_{*}. In view of Corollary 4.7, this implies that that the mass of πε\pi_{\varepsilon} around (x,y)(x,y) converges exponentially fast.

Fix (x,y′)∈Γ(x,y^{\prime})\in\Gamma and y∈Yy\in\mathsf{Y}. Suppose that

and that there exist (xn,yn)∈Γ(x_{n},y_{n})\in\Gamma such that (xn,yn)→(x,y′)(x_{n},y_{n})\to(x,y^{\prime}) and

Set Δ(x,y′,yn):=∇xc(x,y′)−∇xc(x,yn)\Delta(x,y^{\prime},y_{n}):=\nabla_{x}c(x,y^{\prime})-\nabla_{x}c(x,y_{n}); then Δ(x,y′,yn)→0\Delta(x,y^{\prime},y_{n})\to 0 as d(y′,yn)→0d(y^{\prime},y_{n})\to 0 and we have

As v≠0v\neq 0 and lim inf⁡ncos⁡αn>0\liminf_{n}\cos\alpha_{n}>0, it follows that δn>0\delta_{n}>0 for nn large enough. Fix such an nn, then choosing k=2k=2 and (x2,y2):=(xn,yn)(x_{2},y_{2}):=(x_{n},y_{n}) in (4.3) shows that I(x,y)≥δn>0I(x,y)\geq\delta_{n}>0. ∎

Recall the notation X0=proj⁡XΓ\mathsf{X}_{0}=\operatorname{proj}_{\mathsf{X}}\Gamma and Γ=spt⁡π∗\Gamma=\operatorname{spt}\pi_{*}. If xx is interior in X0\mathsf{X}_{0}, we can choose auxiliary points in any direction from xx and Lemma 5.1 yields a positivity result for I(x,y)I(x,y) as follows.

Let x∈int⁡X0x\in\operatorname{int}\mathsf{X}_{0} and y∈Yy\in\mathsf{Y}. Let π∗\pi_{*} be given by a transport map TT which is continuous at xx. If ∇xc(x,y)−∇xc(x,T(x))≠0,\nabla_{x}c(x,y)-\nabla_{x}c(x,T(x))\neq 0, then I(x,y)>0I(x,y)>0.

For nn large we can uniquely define a point xn∈∂B1/n(x)⊂X0x_{n}\in\partial B_{1/n}(x)\subset\mathsf{X}_{0} by the requirement that x−xnx-x_{n} be parallel to v:=∇xc(x,y)−∇xc(x,T(x))v:=\nabla_{x}c(x,y)-\nabla_{x}c(x,T(x)) (here ∂B\partial B denotes the boundary). Then cos⁡αn=1\cos\alpha_{n}=1 in the notation of (5.2) and we conclude using Lemma 5.1 with (x,y′)=(x,T(x))(x,y^{\prime})=(x,T(x)) and (xn,yn)=(xn,T(xn))(x_{n},y_{n})=(x_{n},T(x_{n})). ∎

Sufficient conditions for the continuity (and higher regularity) of the transport map have been studied extensively; see [58, Section 12] for an overview of now-classical results and, among others, for recent results including unbounded domains.

Let c(x,y)=∥x−y∥2c(x,y)=\|x-y\|^{2}, let X0\mathsf{X}_{0} be strictly convexIn the sense that the open segment (x,x′)(x,x^{\prime}) is contained in int⁡X0\operatorname{int}\mathsf{X}_{0} for distinct x,x′∈X0x,x^{\prime}\in\mathsf{X}_{0}. and consider (x,y)∈(X0×Y0)∖Γ(x,y)\in(\mathsf{X}_{0}\times\mathsf{Y}_{0})\setminus\Gamma with x∈∂X0x\in\partial\mathsf{X}_{0}. Suppose that π∗\pi_{*} is given by a transport map TT which is continuous on a neighborhood Br(x)∩X0B_{r}(x)\cap\mathsf{X}_{0} for some r>0r>0. Then I(x,y)>0I(x,y)>0.

The main step is to find a point x′′∈X0x^{\prime\prime}\in\mathsf{X}_{0} such that

Once that is achieved, we may choose a sequence xn→xx_{n}\to x in the open segment (x′′,x)(x^{\prime\prime},x) which is contained in int⁡X0\operatorname{int}\mathsf{X}_{0} due to strict convexity. As (xn,T(xn))→(x,T(x))(x_{n},T(x_{n}))\to(x,T(x)) by continuity and αn=∠(v,x−x′′)\alpha_{n}=\angle(v,x-x^{\prime\prime}) for all nn, we conclude by Lemma 5.1 with (x,y′):=(x,T(x))(x,y^{\prime}):=(x,T(x)).

To find x′′x^{\prime\prime} satisfying (5.3), we first fix x′∈X0x^{\prime}\in\mathsf{X}_{0} such that (x′,y)∈Γ(x^{\prime},y)\in\Gamma. As cc is quadratic, we have v=y′−yv=y^{\prime}-y in (5.1) and the cyclical monotonicity of Γ\Gamma yields

If this inequality is strict, we choose x′′:=x′x^{\prime\prime}:=x^{\prime}. Whereas if ⟨v,x−x′⟩=0\langle v,x-x^{\prime}\rangle=0, we consider the mid-point xˉ=(x′−x)/2\bar{x}=(x^{\prime}-x)/2 which satisfies xˉ∈int⁡X0\bar{x}\in\operatorname{int}\mathsf{X}_{0} by strict convexity as well as ⟨v,x−xˉ⟩=0\langle v,x-\bar{x}\rangle=0. After choosing ρ>0\rho>0 small enough such that ∂Bρ(xˉ)⊂X0\partial B_{\rho}(\bar{x})\subset\mathsf{X}_{0}, we can find a point x′′∈∂Bρ(xˉ)⊂X0x^{\prime\prime}\in\partial B_{\rho}(\bar{x})\subset\mathsf{X}_{0} such that ⟨v,x−x′′⟩>0\langle v,x-x^{\prime\prime}\rangle>0, completing the proof. ∎

Next, we illustrate the dual approach in a problem with discontinuous optimal transport map. For the remainder of the section, we assume that there exists a Kantorovich potential ψ\psi such that

As seen in Proposition 4.5, a sufficient condition is Assumption 4.4 (uniqueness of potentials). If we assume that μ∼Ld\mu\sim\mathcal{L}^{d} on its support, the quadratic cost and the convexity condition in the below results already guarantee that Assumption 4.4 holds; cf. Proposition B.2. The relevance of (5.4) is that it yields the representation

so that our question regarding exponential convergence can be phrased as:

does Γ\Gamma fill the entire set ∂cψ∩(X0×Y0)\partial_{c}\psi\cap(\mathsf{X}_{0}\times\mathsf{Y}_{0})?

The intersection with X0×Y0\mathsf{X}_{0}\times\mathsf{Y}_{0} is crucial to avoid a negative answer in many cases with discontinuous transport (see also the proof of Proposition 5.5 below). On the other hand, the intersection is justified because the interpretation of II as rate of convergence is meaningless outside spt⁡πε\operatorname{spt}\pi_{\varepsilon}.

We first state the following continuation argument similar to Lemma 5.3.

We may state the proof with the equivalent cost c(x,y)=−⟨x,y⟩/2c(x,y)=-\langle x,y\rangle/2, so that the notions of cc-convex analysis and convex analysis coincide. Suppose for contradiction that I(x,y)=0I(x,y)=0. Fix x′∈X0x^{\prime}\in\mathsf{X}_{0} such that (x′,y)∈Γ(x^{\prime},y)\in\Gamma and denote ϕ:=−ψc\phi:=-\psi^{c} for ψ\psi as in (5.4), then both xx and x′x^{\prime} are in the set

Again, we may state the proof with the equivalent cost c(x,y)=−⟨x,y⟩/2c(x,y)=-\langle x,y\rangle/2. Let (x,y)∈X0×Y0(x,y)\in\mathsf{X}_{0}\times\mathsf{Y}_{0}. In view of Lemma 5.4, it suffices to treat the case x∈int⁡X0x\in\operatorname{int}\mathsf{X}_{0}. Denote by dom⁡∇ψ\operatorname{dom}\nabla\psi the set of points where ψ\psi is differentiable and assume that I(x,y)=0I(x,y)=0; that is, y∈∂cψ(x)=∂ψ(x)y\in\partial_{c}\psi(x)=\partial\psi(x). The (ordinary) subdifferential ∂ψ(x)\partial\psi(x) equals {∇ψ(x)}\{\nabla\psi(x)\} if x∈dom⁡∇ψx\in\operatorname{dom}\nabla\psi, whereas in general, it can be described (cf. [55, Theorem 25.6, p. 246]) as the closed convex hull of

Case 1: x∈dom⁡∇ψx\in\operatorname{dom}\nabla\psi. As Γ⊂∂ψ\Gamma\subset\partial\psi and ∂ψ(x)\partial\psi(x) is a singleton, it follows that (x,y)=(x,∇ψ(x))∈Γ(x,y)=(x,\nabla\psi(x))\in\Gamma.

Case 2: y∈S(x)y\in S(x). Let xn→xx_{n}\to x be as in (5.6). Recalling that x∈int⁡X0x\in\operatorname{int}\mathsf{X}_{0}, we have xn∈X0x_{n}\in\mathsf{X}_{0} for nn large. Thus (xn,∇ψ(xn))∈Γ(x_{n},\nabla\psi(x_{n}))\in\Gamma by Case 1 and closedness entails that the limit (x,y)(x,y) pertains to Γ\Gamma as well.

Case 3: y∈∂ψ(x)∖S(x)y\in\partial\psi(x)\setminus S(x). We shall show that this case does not occur. As a first step, we argue that

in the present context (without taking closure). As x∈int⁡X0⊂int⁡{ψ<∞}x\in\operatorname{int}\mathsf{X}_{0}\subset\operatorname{int}\{\psi<\infty\}, the subdifferential ∂ψ(x)\partial\psi(x) is bounded [55, Theorem 23.4, p. 217]. Let UU be a bounded neighborhood of ∂ψ(x)\partial\psi(x). The discreteness assumption on spt⁡ν\operatorname{spt}\nu entails that U∩Y0U\cap\mathsf{Y}_{0} is a finite set (and that Y0=spt⁡ν\mathsf{Y}_{0}=\operatorname{spt}\nu). Let xn→xx_{n}\to x be as in (5.6). For xnx_{n} close to xx we have ∇ψ(xn)∈U\nabla\psi(x_{n})\in U, but also ∇ψ(xn)∈Y0\nabla\psi(x_{n})\in\mathsf{Y}_{0} by Case 1. As a result, the set S(x)S(x) of limits is finite. In particular, its convex hull is already closed, and (5.7) follows.

Now let y∈∂ψ(x)∖S(x)y\in\partial\psi(x)\setminus S(x). By (5.7), yy is a nontrivial convex combination y=∑i=1kθiyiy=\sum_{i=1}^{k}\theta_{i}y_{i} for some distinct yi∈S(x)y_{i}\in S(x) and θi∈(0,1)\theta_{i}\in(0,1) with ∑θi=1\sum\theta_{i}=1. Let ϕ:=−ψc\phi:=-\psi^{c} (which is the Legendre–Fenchel transform of ψ\psi in this context) and x′∈∂ϕ(y)x^{\prime}\in\partial\phi(y). Then cyclical monotonicity of ∂ϕ\partial\phi implies ⟨x′−x,y−yi⟩≥0\langle x^{\prime}-x,y-y_{i}\rangle\geq 0 for all ii and as

it follows that ⟨x′−x,y−yi⟩=0\langle x^{\prime}-x,y-y_{i}\rangle=0 for all ii. That is, we have

which implies in particular dim⁡∂ϕ(y)<d\dim\partial\phi(y)<d. On the other hand, ν({y})>0\nu(\{y\})>0 by the discreteness of Y0\mathsf{Y}_{0}. Thus μ(∂ϕ(y))=ν({y})>0\mu(\partial\phi(y))=\nu(\{y\})>0, contradicting that μ≪Ld\mu\ll\mathcal{L}^{d} does not charge lower dimensional sets. This shows that Case 3 does not occur and completes the proof. ∎

The preceding arguments can be extended to a class of cost functions satisfying a Ma-Trudinger-Wang condition. This is detailed in Appendix C.

After replacing convexity by cc-convexity, Lemma 5.4 and Proposition 5.5 extend to cost functions cc satisfying Assumption C.1.

We conclude with a simple example illustrating the relevance of the twist condition. Here, ∇xc(x,y)\nabla_{x}c(x,y) vanishes below the diagonal, so that the condition fails, and indeed the convergence πε→π∗\pi_{\varepsilon}\to\pi_{*} is sub-exponential in that region.

As ∇xc(x,y)=0\nabla_{x}c(x,y)=0 for all y<xy<x, this cost does not satisfy the twist condition. Clearly there is a unique optimal transport π∗∈Π(μ,ν)\pi_{*}\in\Pi(\mu,\nu), given by the Monge map T(x)=xT(x)=x. Its support is Γ={(x,x):0≤x≤1}\Gamma=\{(x,x):0\leq x\leq 1\} and one can check by direct calculation based on (4.3) that I=cI=c on X0×Y0=2\mathsf{X}_{0}\times\mathsf{Y}_{0}=^{2}. Assumption 4.9 is readily verified, hence Corollary 4.12 shows that II is indeed the rate function in this context. We can obtain the same conclusion from Corollary 4.7, at least if we also suppose that μ\mu is equivalent to the Lebesgue measure on $:then,PropositionB.2showsthatAssumption4.4holds.Orasathirdoption,wemayverifydirectlythat: then, Proposition B.2 shows that Assumption 4.4 holds. Or as a third option, we may verify directly thatIsatisfies(4.7),andthenconcludeasintheproofofCorollary4.7.Inanyevent,weseethatsatisfies (4.7), and then conclude as in the proof of Corollary 4.7. In any event, we see thatI=0onon\{y,indicatingsub−exponentialdecayoftheweightof, indicating sub-exponential decay of the weight of\pi_{\varepsilon}$.

Appendix A Cyclical Invariance and Factorization

In this section we detail some classical facts about static Schrödinger bridges as well as the proof of Proposition 2.2. Let (X,μ)(\mathsf{X},\mu) and (Y,ν)(\mathsf{Y},\nu) be Polish probability spaces; as before, we denote by Π(μ,ν)\Pi(\mu,\nu) the set of couplings.

Let RR be a probability measure on X×Y\mathsf{X}\times\mathsf{Y} and suppose that

Then there is a unique minimizer π∗∈Π(μ,ν)\pi^{*}\in\Pi(\mu,\nu) for inf⁡π∈Π(μ,ν)H(π∣R).\inf_{\pi\in\Pi(\mu,\nu)}H(\pi|R). Assume in addition that R∼μ⊗νR\sim\mu\otimes\nu. Then π∗∼μ⊗ν\pi_{*}\sim\mu\otimes\nu and there exist measurable functions Z:X×Y→(0,∞)Z:\mathsf{X}\times\mathsf{Y}\to(0,\infty), f:X→(0,∞)f:\mathsf{X}\to(0,\infty), g:Y→(0,∞)g:\mathsf{Y}\to(0,\infty) such that

and ZZ is a version of the Radon–Nikodym density dπ∗/dRd\pi^{*}/dR. Conversely, if π∈Π(μ,ν)\pi\in\Pi(\mu,\nu) and a version of its density has the form (A.2) on a set of full μ⊗ν\mu\otimes\nu-measure, where ff and gg are arbitrary [−∞,∞][-\infty,\infty]-valued functions, then π=π∗\pi=\pi^{*}.

The uniqueness result also holds without Assumption (A.1), if stated as follows. Let π,π′∈Π(μ,ν)\pi,\pi^{\prime}\in\Pi(\mu,\nu) and π,π′,R∼μ⊗ν\pi,\pi^{\prime},R\sim\mu\otimes\nu. If versions of dπ/dRd\pi/dR and dπ′/dRd\pi^{\prime}/dR both admit factorizations as above, then π=π′\pi=\pi^{\prime}.

The result under (A.1) can be found in [48, Theorem 2.1] in the stated form (where we do not assume a priori that one can choose π∼R\pi\sim R in (A.1)).

For the final generalization on the uniqueness claim, let π,π′\pi,\pi^{\prime} be as stated and note that a version of the density dπ/dπ′d\pi/d\pi^{\prime} then admits a factorization. We consider π′\pi^{\prime} as an auxiliary reference measure, instead of RR. Then the analogue of (A.1) holds as π′\pi^{\prime} is itself a coupling and clearly π′\pi^{\prime} is the unique minimizer of H(⋅∣π′)H(\cdot|\pi^{\prime}). We can now apply the above results. ∎

We mention that the existence and uniqueness of π∗\pi_{*} are due to , and that the factorization of the density and its measurability are delicate in general (see , among others) but less so under our condition that R∼μ⊗νR\sim\mu\otimes\nu. An insightful approach with a direct construction of the factorization was recently proposed in ; it yields similar results for the entropic function h(x)=xlog⁡xh(x)=x\log x considered here but also allows for a generalization to nonconvex penalties hh. In addition, it portrays what we called cyclical invariance as the cyclical monotonicity of an optimal transport problem arising from the linearization of the static Schrödinger bridge problem. Another recent work, , uses Markovian methods to obtain a generalized factorization result for Schrödinger bridges with additional constraints.

Recall the definition (2.5) of RR and note that R∼P=μ⊗νR\sim P=\mu\otimes\nu. The entropic optimal transport problem (2.2) can we rewritten as inf⁡π∈Π(μ,ν)εH(π∣R),\inf_{\pi\in\Pi(\mu,\nu)}\varepsilon H(\pi|R), putting it in the realm of Proposition A.1. Similarly, (2.3) is equivalent to (A.1). Let ZZ be as in (A.2), then (2.6) follows, and hence also (2.4).

Conversely, if π∈Π(μ,ν)\pi\in\Pi(\mu,\nu) is cyclically invariant, then π∼P\pi\sim P and (2.6) holds for its density ZZ. Fix an arbitrary x0∈Xx_{0}\in\mathsf{X} and note that f(x):=Z(x,y)/Z(x0,y)f(x):=Z(x,y)/Z(x_{0},y) is independent of yy due to (2.6) with k=2k=2. Setting g(y)=Z(x0,y)/f(x0)g(y)=Z(x_{0},y)/f(x_{0}) then yields the (measurable) factorization Z(x,y)=f(x)g(y)Z(x,y)=f(x)g(y), and we conclude by Proposition A.1. Alternately, the existence of a factorization can be deduced from (2.6) by the general result of [11, Theorem 3.3]. ∎

The above proof shows that if the cyclical invariance condition (2.4) holds for k=2k=2, then it already holds for arbitrary k≥2k\geq 2.

Appendix B Uniqueness of Potentials

Let Γ⊂X×Y\Gamma\subset\mathsf{X}\times\mathsf{Y} and Λ⊂X\Lambda\subset\mathsf{X}. We say that uniqueness of potentials holds on Λ\Lambda if for any cc-convex functions ψ1,ψ2\psi_{1},\psi_{2} on X\mathsf{X} with Γ⊂∂cψi\Gamma\subset\partial_{c}\psi_{i}, it holds that ψ1−ψ2\psi_{1}-\psi_{2} is constant on Λ\Lambda.

We detail two classes of optimal transport problems where uniqueness of potentials holds. Connectedness of at least one marginal support is essential—uniqueness fails even for the simplest discrete problem, μ=ν=(δ{1}+δ{2})/2\mu=\nu=(\delta_{\{1\}}+\delta_{\{2\}})/2 with cost c({i},{j})=1i≠jc(\{i\},\{j\})=\mathbf{1}_{i\neq j}.

c(⋅,y)c(\cdot,y) is differentiable for all yy, and locally Lipschitz uniformly in yy.

Then uniqueness of potentials holds on spt⁡μ\operatorname{spt}\mu, and in particular on proj⁡XΓ\operatorname{proj}_{\mathsf{X}}\Gamma.

hh has superlinear growth: h(x)/∥x∥→∞h(x)/\|x\|\to\infty whenever ∥x∥→∞\|x\|\to\infty,

Then uniqueness of potentials holds on proj⁡XΓ\operatorname{proj}_{\mathsf{X}}\Gamma.

The proof of the proposition is based on the following standard consideration (e.g., [30, Lemma 3.1]).

and hence ∇ψ(x)=−∇xc(x,y)\nabla\psi(x)=-\nabla_{x}c(x,y) as the direction of hh is arbitrary. ∎

Let Γ=spt⁡π\Gamma=\operatorname{spt}\pi for some π∈Π(μ,ν)\pi\in\Pi(\mu,\nu). Then spt⁡μ=proj⁡XΓ‾.\operatorname{spt}\mu=\overline{\operatorname{proj}_{\mathsf{X}}\Gamma}.

Let (x,y)∈Γ(x,y)\in\Gamma, then μ(Br(x))=π(Br(x)×Y)>0\mu(B_{r}(x))=\pi(B_{r}(x)\times\mathsf{Y})>0 for all r>0r>0. This shows proj⁡XΓ⊂spt⁡μ\operatorname{proj}_{\mathsf{X}}\Gamma\subset\operatorname{spt}\mu. Let x∈spt⁡μx\in\operatorname{spt}\mu. As μ(Br(x))>0\mu(B_{r}(x))>0, there must be some x′∈Br(x)x^{\prime}\in B_{r}(x) with x′∈proj⁡XΓx^{\prime}\in\operatorname{proj}_{\mathsf{X}}\Gamma, and this holds for all r>0r>0. Hence, spt⁡μ⊂proj⁡XΓ‾\operatorname{spt}\mu\subset\overline{\operatorname{proj}_{\mathsf{X}}\Gamma}. ∎

We denote by dom⁡ψ\operatorname{dom}\psi the set where a function ψ\psi is finite and by dom⁡∇ψ\operatorname{dom}\nabla\psi the subset where it is differentiable.

(b) In this setting, the local Lipschitz property will only hold within int⁡spt⁡μ\operatorname{int}\operatorname{spt}\mu and ψ\psi need not be continuous (or even finite) up to the boundary. As we require uniqueness at all (rather than almost all) points xx, we argue the boundary case in a second step.

Step 1. We first show that uniqueness of potentials holds on int⁡spt⁡μ\operatorname{int}\operatorname{spt}\mu. It is proved in [30, Proposition C.3 and Corollary C.5] that for any cc-convex function ψ\psi there is a convex set KK with int⁡K⊂dom⁡ψ⊂K\operatorname{int}K\subset\operatorname{dom}\psi\subset K and that ψ\psi is locally Lipschitz (hence Ld\mathcal{L}^{d}-a.e. differentiable) within int⁡dom⁡ψ\operatorname{int}\operatorname{dom}\psi. By convexity, int⁡K‾=int⁡K=int⁡dom⁡ψ\operatorname{int}\overline{K}=\operatorname{int}K=\operatorname{int}\operatorname{dom}\psi. If Γ⊂∂cψ\Gamma\subset\partial_{c}\psi, then proj⁡XΓ⊂dom⁡ψ\operatorname{proj}_{\mathsf{X}}\Gamma\subset\operatorname{dom}\psi and hence spt⁡μ=proj⁡XΓ‾⊂dom⁡ψ‾⊂K‾,\operatorname{spt}\mu=\overline{\operatorname{proj}_{\mathsf{X}}\Gamma}\subset\overline{\operatorname{dom}\psi}\subset\overline{K}, showing that

It follows that ψ\psi is locally Lipschitz and Ld\mathcal{L}^{d}-a.e. differentiable on int⁡spt⁡μ\operatorname{int}\operatorname{spt}\mu. On the other hand, proj⁡XΓ\operatorname{proj}_{\mathsf{X}}\Gamma has full μ\mu-measure in int⁡spt⁡μ\operatorname{int}\operatorname{spt}\mu by the coupling property, hence also full Ld\mathcal{L}^{d}-measure. Thus Λ:=dom⁡∇ψ∩proj⁡XΓ\Lambda:=\operatorname{dom}\nabla\psi\cap\operatorname{proj}_{\mathsf{X}}\Gamma has full Ld\mathcal{L}^{d}-measure within int⁡spt⁡μ\operatorname{int}\operatorname{spt}\mu and we conclude as in (a).

Step 2. Define X1:=proj⁡XΓ∩int⁡spt⁡μ\mathsf{X}_{1}:=\operatorname{proj}_{\mathsf{X}}\Gamma\cap\operatorname{int}\operatorname{spt}\mu. Then

where Γx\Gamma_{x} denotes the section {y∈Y: (x,y)∈Γ}\{y\in\mathsf{Y}:\,(x,y)\in\Gamma\}. Indeed, μ(X1)=1\mu(\mathsf{X}_{1})=1 as stated in Step 1, which implies π(Γ1)=1\pi(\Gamma_{1})=1 and hence Γ⊂Γ‾1\Gamma\subset\overline{\Gamma}_{1} by the definition of Γ=spt⁡π\Gamma=\operatorname{spt}\pi. Conversely, Γ1⊂Γ\Gamma_{1}\subset\Gamma is clear, and then Γ‾1⊂Γ\overline{\Gamma}_{1}\subset\Gamma by closedness.

Fix (x,y)∈Γ(x,y)\in\Gamma. By (B.1) we can find (xn,yn)∈Γ1(x_{n},y_{n})\in\Gamma_{1} with (xn,yn)→(x,y)(x_{n},y_{n})\to(x,y) and in particular

The cc-convex functions −ψc-\psi^{c} and ψ\psi are lower semicontinuous thanks to the continuity of cc, so that ψc(y)≥lim sup⁡ψc(yn)\psi^{c}(y)\geq\limsup\psi^{c}(y_{n}) and −ψ(x)≥lim sup⁡−ψ(xn)-\psi(x)\geq\limsup-\psi(x_{n}). Together, it follows that ψc(y)=lim⁡ψc(yn)\psi^{c}(y)=\lim\psi^{c}(y_{n}) and ψ(x)=lim⁡ψ(xn)\psi(x)=\lim\psi(x_{n}). As xn∈int⁡spt⁡μx_{n}\in\operatorname{int}\operatorname{spt}\mu, we know from Step 1 that ψ(xn)\psi(x_{n}) is uniquely determined, and then so is ψ(x)\psi(x). ∎

Appendix C Proof of Proposition 5.6

In this section, we discuss how to extend Proposition 5.5 to a general class of cost functions cc satisfying the Ma-Trudinger-Wang condition “(Aw)” introduced in ; we use Loeper’s equivalent geometric characterization to generalize from the quadratic case. We recall that the dual representation (5.4) of II has been assumed.

The function ψ\psi is semiconvex if it is the sum of a convex function and a function of class C1,1C^{1,1}. Its (ordinary) subdifferential ∂ψ(x)\partial\psi(x) at x∈Ωx\in\Omega is

Clearly ∂ψ(x)\partial\psi(x) is convex. Moreover, it coincides with the subdifferential of convex analysis if ψ\psi is convex, and it satisfies an analogue of the cyclical monotonicity of convex analysis: adding up the defining inequalities shows

We shall use analogous notation for functions on Ω′\Omega^{\prime} instead of Ω\Omega (a minor abuse of notation since cc is then used with its variables exchanged).

and that the analogue holds for functions on Ω′\Omega^{\prime}.

The main condition is (C.2). As ∂ψ(x)\partial\psi(x) is convex, it implies in particular that ∂cψ(x)\partial_{c}\psi(x) is cc-convex. (The converse implications also holds; see . Note that our notation differs slightly from , where ∂cψ(x)\partial_{c}\psi(x) denotes what is −∇xc(x,∂cψ(x))-\nabla_{x}c(x,\partial_{c}\psi(x)) in our notation.) It is shown in how (C.2) can be deduced from the (Aw) condition when the the domains are bounded, sufficiently cc-convex and c∈C4c\in C^{4}. Local semiconvexity of cc-convex functions can be ensured by comparably mild conditions on the data, see for instance [42, Proposition 2.2] or [30, Corollary C.5]. Apart from the quadratic cost, another classical example treated in is the reflector-antenna cost c(x,y)=−log⁡∥x−y∥c(x,y)=-\log\|x-y\|. See also for further background.

Step 1: Generalization of Lemma 5.4. This extension is straightforward: using the same notation as in the proof of Lemma 5.4, we again have x,x′∈{I(⋅,y)=0}=∂c(−ψc)(y)x,x^{\prime}\in\{I(\cdot,y)=0\}=\partial_{c}(-\psi^{c})(y). The latter set is cc-convex by Assumption C.1, hence contains the cc-segment of x,x′x,x^{\prime} wrt. yy. The interior of the segment is contained in int⁡X0\operatorname{int}\mathsf{X}_{0} by strict cc-convexity, and it includes points from the neighborhood were II was assumed to be positive—a contradiction.

Step 2: Generalization of Proposition 5.5. Let (x,y)∈X0×Y0(x,y)\in\mathsf{X}_{0}\times\mathsf{Y}_{0} be such that I(x,y)=0I(x,y)=0. In view of Step 1, it again suffices to treat the case x∈int⁡X0x\in\operatorname{int}\mathsf{X}_{0}. Moreover, as the cc-convex function ψ\psi is semiconvex by our assumption, it still holds that ∂ψ(x)\partial\psi(x) is the closed convex hull of S(x)S(x) as defined in (5.6). The proofs for Case 1 and Case 2 carry over by simply replacing ∂ψ(x)\partial\psi(x) with ∂cψ(x)\partial_{c}\psi(x) and ∇ψ(x)\nabla\psi(x) with Tx(∇ψ(x))\mathfrak{T}_{x}(\nabla\psi(x)). In Case 3, the proof of (5.7) also carries over using semiconvexity. The arguments around (5.8) can be adapted as follows: Let ϕ:=−ψc\phi:=-\psi^{c} and x′∈∂ϕ(y)x^{\prime}\in\partial\phi(y). Then the cyclical monotonicity property (C.1) of ∂ϕ\partial\phi implies ⟨x′−x,y−yi⟩≥o(∥x′−x∥)\langle x^{\prime}-x,y-y_{i}\rangle\geq o(\|x^{\prime}-x\|) for all ii. In view of (5.8), it now follows that ⟨x′−x,y−yi⟩=o(∥x′−x∥)\langle x^{\prime}-x,y-y_{i}\rangle=o(\|x^{\prime}-x\|) for all ii, but noting that the convex set ∂ϕ(y)\partial\phi(y) contains the segment [x′,x][x^{\prime},x], this already implies that ⟨x′−x,y−yi⟩=0\langle x^{\prime}-x,y-y_{i}\rangle=0 for all ii. The remainder of the proof is identical. ∎

References