Stability of Entropic Optimal Transport and Schrödinger Bridges
Promit Ghosal, Marcel Nutz, Espen Bernton
Introduction
Computational progress has lead to manifold applications of optimal transport in high-dimensional problems ranging from machine learning and statistics to image and language processing (e.g., ). In this context, entropic regularization is crucial to enable efficient large-scale computation via Sinkhorn’s algorithm, hence has become the focus of dozens of recent studies. We refer to for a survey with numerous references.
Our main contribution is the stability of solutions to the entropically regularized optimal transport problem with respect to the marginals and the cost function. Parallel to the fundamental stability theorem in classical optimal transport, it justifies, for example, that approximations found by solving discretized problems indeed converge to the true solution when the cost function is continuous. Our results are stated in terms of cyclical invariance, a geometric notion inspired by the -cyclical monotonicity property in classical optimal transport. When the entropic transport problem has finite value, a coupling is cyclically invariant if and only if it is an optimal transport. Our stability theorem entails a general wellposedness result beyond the realm of optimization: cyclical invariance singles out a unique coupling even if the transport problem has infinite value—i.e., all couplings have infinite cost—and therefore the paradigm of cost minimization does not differentiate couplings from one another.
where is the set of couplings and denotes relative entropy (or Kullback–Leibler divergence) with respect to the product of the marginals, defined as for and otherwise. If the minimization (1.1) is finite; i.e., if
then it admits a unique minimizer and moreover .
A coupling is called -cyclically invariant if and its density admits a version such that
By way of a factorization property that is equivalent to cyclical invariance, known results imply the following relation to the optimization (1.1).
Let (1.1) be finite. Then is the minimizer of (1.1) if and only if is -cyclically invariant.
See Section 5 for details and references. We are mainly interested in optimal transport problems on Euclidean spaces . However, the only particular property of such spaces that plays a role for our analysis is that Lebesgue’s theorem on the differentiation of measures holds. Thus, we postulate that property (see Assumption 2.3) and otherwise allow for a general Polish setting. We can now state the aforementioned wellposedness result.
Let be continuous, and . There exists a unique -cyclically invariant coupling . If (1.1) is finite, is its unique minimizer.
Uniqueness follows from known facts and does not require the continuity of . On the other hand, existence beyond the framework of finite cost is a completely novel result. Rather than using convex analysis or variational arguments, it is based on the subsequent stability theorem for cyclical invariance. One example where wellposedness with infinite cost is of interest, is the statistical notion of rank recently proposed in . Multivariate ranks have been defined in nonparametric statistics through Brenier’s optimal transport map to extend the usual scalar notions and tests; see . Leveraging the same idea but computationally less expensive, entropic optimal transport is used in to define “differentiable ranks.” Theorem 1.3 allows one to naturally define such ranks for arbitrary distributions—like in the scalar case—without imposing a second moment condition.
For , let , let and let be measurable. Let be -cyclically invariant. Suppose that converge weakly to some limits , that and that converges uniformly on bounded sets to a continuous function . Then converges weakly to a limit and is -cyclically invariant.
If the involved optimization problems are finite, the theorem states the stability of the (entropic) optimal transport couplings. A simple yet important application is when the marginals are approximated by discrete measures, as it would be in a computational implementation. Even for this particular case, we are not aware of similar results in the literature. We mention that continuity for the limiting cost in Theorem 1.4 is a sharp condition: Proposition 5.3 will demonstrate that any nontrivial discontinuity in leads to a failure of Theorem 1.4, for suitable marginals.
A noteworthy application of the stability theorem was presented in the follow-up work where it was observed that convergence of Sinkhorn’s algorithm can be seen as a stability problem. In that context, the marginals are produced by the algorithm and known to converge to in great generality, while the iterates of the algorithm correspond to . Theorem 1.4 then implies the weak convergence to the correct optimizer . Its geometric approach completely avoids the difficulty of establishing the integrability properties of or even the finiteness of the associated entropic optimal transport problems.
The general existence result of Theorem 1.3 is a consequence of Theorem 1.4 applied with , and approximations where are discrete measures with finite support. To solve the problem with marginals , one could use Proposition 1.2, but this particular case is a finite-dimensional minimization problem that can also be solved by standard calculus arguments. In particular, Theorem 1.4 yields an approach to construct cyclically invariant couplings which is novel even when the optimization problem is finite. This approach does not use the (classical but non-trivial) arguments of convex analysis and density factorization behind Proposition 1.2 (see , among others). It is also quite different from the iterative method of which uses another finiteness condition; see for a modern presentation, analysis and extension of that method. Instead, our approach is close in spirit to the construction of -cyclically monotone couplings that is standard in classical optimal transport; cf. [52, pp. 64–65].
The companion paper illustrates the use of cyclical invariance for the limit . In this degenerate asymptotic, the limiting object is classical optimal transport as characterized by -cyclical monotonicity. The latter property describes the shape of the support of the coupling and, therefore, is readily amenable to weak convergence arguments via Portmanteau’s theorem. The same fact is often exploited in classical optimal transport theory, for instance in the standard proof of its stability theorem [52, p. 77]. In the present study, the limit is entropic optimal transport. Being a property of the density, the relation of cyclical invariance with weak convergence is less direct (especially as the measures in Theorem 1.4 may well be mutually singular). Our general principle is to blow the points in Definition 1.1 up to small balls, pass to the weak limit, and then recover information about the limiting density by shrinking the balls, via differentiation of measures. This technique appears to be novel in this area.
Starting with , a number of works examine the degenerate asymptotic where the limiting problem is classical optimal transport. The fact that weak limits of entropic optimizers are optimal transports was established by using Gamma-convergence arguments in a more general context of Schrödinger bridges; see also for the case of optimal transport with quadratic cost. As mentioned above, extends this result to transport problems with infinite value by way of cyclical invariance and -cyclical monotonicity; moreover, a large deviations principle quantifies the local rate of convergence. Related results can be found in where the expansion of the optimal cost as a function of is studied. We remark that Gamma convergence seems difficult to use in the context of Theorem 1.4 due to the reference measures changing along the sequence. The limit can also be analyzed in the associated dual problem, here the solutions are called potentials. Convergence of potentials was shown in for quadratic costs and compactly supported marginals, and recently in for a general Polish setting. Closer to the problem occurring in computational practice as well as the present question of stability, studies the convergence of the discrete Sinkhorn algorithm to an optimal transport in the joint limit when and the marginals are approximated by discretizations satisfying a certain density property. Explicit error bounds are derived, for instance for quadratic cost on the torus, to establish near-linear complexity of the resulting algorithm. For more on the computational challenges and remedies in this regime, see for instance and the references therein.
While we are not aware of general stability results for the nondegenerate limit in the literature, the sampling complexity of entropic optimal transport (with fixed ) can be seen as a particular form of stability with respect to the marginals. Indeed, study how the the empirical entropic Wasserstein distance, obtained by optimally coupling i.i.d. samples from the marginals, converges to the population version. The results are based on global arguments exploiting the regularity of the Schrödinger potentials, which, in turn, is achieved by imposing compactness and decay conditions on the marginals. See also which studies a related asymptotic regime for a different regularization of optimal transport. Related to the present work at least in spirit, there are several areas where analogues of -cyclical monotonicity have recently lead to breakthroughs, including martingale optimal transport , optimal Skorokhod embeddings and weak transport .
The remainder of this paper is organized as follows. Section 2 details the setting and main results in the language of Schrödinger bridges. The first step towards the stability theorem is reported Section 3 where we establish that weak limits of cyclically invariant couplings remain absolutely continuous. This is based on comparing measures of rectangles, an analysis that may be of independent interest. Section 4 continuous the main proof by showing that limits of cyclically invariant couplings are again cyclically invariant. It comprises of two steps; the aforementioned principle of blowing up points and passing to the limit first yields a weakened version of the invariance property, and then measure-theoretic arguments can be used to show that the (proper) invariance property already follows. The concluding Section 5 collects the arguments to prove the main results and their ramifications, including that continuity of the cost function is necessary for stability.
Main Results
Let be a complete, separable metric space; we write for the space of probability measures on the Borel -field endowed with weak convergence (induced by bounded continuous functions). The same is assumed for the second marginal space , and we equip with the metric . Throughout this section, two measures play the role of given marginals for the static Schrödinger bridge problem
where is a given reference measure. We refer to for extensive surveys on Schrödinger bridges. The entropic optimal transport problem (1.1) can be recovered (up to constants) as a special case for defined by
where is the normalizing constant. In particular, , which will also be an important condition in many of our results for (2.1). By way of (2.2), the following generalizes Definition 1.1.
Let and . We call cyclically invariant if and there exists a version of the relative density satisfying
The analogue of the finiteness condition (1.2) is that
We summarize the pertinent facts; see Lemma 5.1 for detailed references.
Let and let (2.1) be finite. There exists a unique minimizer for (2.1), it satisfies , and it is the unique coupling such that is cyclically invariant.
In the remainder of the paper we assume that the underlying spaces allow for differentiation of measures in the following sense.
Given satisfying , there exists of full -measure such that
defines a version of the Radon–Nikodym density . The analogous property is assumed on the space .
For Euclidean spaces , the assumption holds by the standard differentiation theorem [21, Theorem 1.32, p. 53]. More generally, it holds in the context of so-called Vitali covering relations; the classical reference is [23, Theorem 2.9.8, p. 156]. For example, Assumption 2.3 holds when and are compact subsets of Riemannian manifolds (due to the “directionally limited” property established in [23, Section 2.8.9, pp. 145-146]), or more generally, countable unions of such sets. See also [31, pp. 4-8, esp. Example 1.15] for an accessible introduction. For our purposes, the main restriction is that differentiation of measures generally fails on infinite-dimensional spaces; see for a counterexample and for a related result on coverings. An alternative to Assumption 2.3, making our results slightly more general, is to impose a doubling condition on the specific marginal measures ; cf. Remark 5.2.
We have seen in the Introduction that continuity of is essential for the stability of entropic optimal transport. In view of (2.2), it is then clear that the regularity of is pivotal. The following generalizations of Theorems 1.3 and 1.4 are our main results.
Suppose that and that the density admits a continuous version. Then there exists a unique coupling such that is cyclically invariant. If (2.1) is finite, is its minimizer.
For , consider , and . Let be cyclically invariant and suppose that converge weakly to some limits , where . Writing , suppose also that for some versions of the respective densities and some constants , it holds that for any fixed ,
where stands for a function as . Then converges weakly to a limit and is cyclically invariant.
Schrödinger bridges are closely related to so-called Schrödinger systems (also called Schrödinger equations). For instance, Theorem 2.4 entails the following wellposedness result.
Let and let be continuous with . There exist Borel functions and such that
for -a.e. and -a.e. . The pair is a.s. unique up to a multiplicative constant.I.e., any solution satisfies -a.s., -a.s., for some .
As above, the uniqueness follows from known results. Existence for continuous functions such that are uniformly bounded was first shown in . Under the boundedness condition alone, existence is due to . Using the connection with Schrödinger bridges, relaxed the boundedness to a condition of finite entropy, corresponding to the finiteness of (2.1) in our setting. We refer to for a more complete review of the literature which dates back to Schrödinger. In Corollary 2.6, we reintroduce the continuity condition of but avoid any condition of finite entropy or boundedness. Of course, the stability result of Theorem 2.5 also has an analogous corollary for Schrödinger systems.
Absolute Continuity of Limits
In this section we show that if is cyclically invariant and holds in a locally uniform sense (to be made precise), then any weak limit pair must satisfy .
As the method of proof is novel, we first sketch the line of argument. We shall be comparing the measures of rectangles for with their permutations .We use the cyclical convention for ; that is, for . Consider first the trivial case , then cyclical invariance of implies
This will of course no longer hold if , but the equivalence suggests that the two sides of (3.1) should still be comparable. We will quantify the equivalence and assume it to hold uniformly in . Then, we prove that the two sides of (3.1) are comparable in the sense that their quotient remains bounded uniformly in . For suitable rectangles, the bound propagates to the weak limit , accomplishing the first step of the proof. The second step is to argue by contraposition that this bound implies . Indeed, we establish that if is singular wrt. , then there exist such that is above a threshold whereas is arbitrarily small.
For ease of reference, we first record two measure-theoretic facts.
Let be a -finite measure on a Polish space . We say that is -continuous if its boundary is a -nullset.
(i) -continuous sets form a field; i.e., unions, intersections, complements, differences of -continuous sets are again -continuous.
(ii) For fixed , the open ball is -continuous for all but countably many values of . In particular, given , there exists such that is -continuous.
(iii) If is -continuous and is -continuous, then is -continuous for any .
(iv) Given and , there exists an open set with and .
Statement (i) is verified directly; (ii) holds because a -finite measure admits at most countably many disjoint sets of positive measure; (iii) follows from . Let be as in (iv). By interior and exterior regularity of , there is a compact set with and an open set with . We have for all by the closedness of , and is covered by the open balls with . After making smaller if necessary, each of these balls is -continuous. Choosing a finite cover , the set has the required properties. ∎
The second fact is a conditional version of the differentiation of measures, based on Assumption 2.3 for the marginal space . While not widely known, this concept was already established in , although the author defined differentiation of measures in a slightly different way. For the convenience of the reader, we detail the adaptation to our setting.
Let and let be its first marginal. Consider for and the probability measure defined by
Under Assumption 2.3 on , there exists with such that for all , the weak limit
exists. Moreover, defines a regular conditional probability of given .
As is a regular conditional probability, it holds for -a.e. that
We now apply Assumption 2.3 to the pair and deduce that the right-hand side converges to for -a.e. , which is (3.2). ∎
The next result is the main ingredient for the second step as sketched above: the sets constructed in Lemma 3.3 will be “blown up” to rectangles in the proof of Proposition 3.5 and used to show by contraposition that .
Let and let be a disintegration. If , then
In addition, the sets can be chosen to be disjoint, of arbitrarily small diameter, and such that for .
Let ; that is, there exists a set with and . Let denote the -section, then for -a.e. . On the other hand, any satisfies . In particular, implies that for -a.e. . Therefore,
As , the set satisfies and hence . For we have and . In particular, the disjoint sets satisfy and . By intersecting with a suitable ball, the diameter of can be assumed to be arbitrarily small. Finally, let and choose -continuous sets for as in Lemma 3.1 (iv), with small enough such that the sets have the required properties; cf. Lemma 3.1 (i). ∎
The next lemma establishes that the two sides of (3.1) are comparable with a bound related to the equivalence . The following notation is useful: when and a -tuple are given, and
with the cyclical convention .
Let and . Consider rectangles for and denote . For some , suppose that on and on , for all . Then
Using the cyclical invariance of and the rectangular form of ,
We can now prove the main result of this section.
Let , let and . Suppose that is cyclically invariant for each and that converges weakly to some limit . In particular, converge to some limits , and . Set and suppose that are uniformly locally equivalent in the following sense: there are versions of the relative densities and constants such that given , there exist and with
Note that the weak convergence of implies the weak convergence of its marginals to some limits and , and then . By Lemma 3.2, there is a set of full -measure such that for , the weak limit
exists, and is a disintegration of . In particular, for any and any -continuity set ,
Suppose for contradiction that . Then Lemma 3.3 yields () and disjoint sets such that
Moreover, given , the sets can be chosen to be -continuous and contained in a ball around some . Using also (3.5), we can choose such that for some ,
for all and . Writing for brevity, (3.6) implies in particular that
That is, given , choosing small enough results in
and we may further choose such that . Specifically, we choose such that , then (3.8) implies
Note that is a -continuity set for ; cf. Lemma 3.1 (iii). In view of , it then follows that
for sufficiently large. On the other hand, we apply Lemma 3.4 with and . In view of (3.7), the condition of the lemma holds with and . Noting that the cancel to yield , the lemma yields the inequality opposite to (3.9), a contradiction. ∎
Cyclical Invariance of Limits
In this section we aim to show that limits of cyclically invariant couplings are again cyclically invariant, under suitable conditions. We proceed in two steps. First, we establish that limits are weakly cyclically invariant as defined below. Second, we show that weak cyclical invariance already implies cyclical invariance. This second step has little to do with the passage to the limit; rather, it settles some measure-theoretic aspects to get rid of pesky nullsets.
The “weak” notion is introduced mainly to disentangle the proof of the main result. It weakens in two ways the cyclical invariance of as stated in Definition 2.1: the equivalence of and is reduced to absolute continuity and the cyclical relation only holds for points from specific sets. We recall the notation from (3.3).
Let and . We call weakly cyclically invariant if and there exist
a version of the density ,
with and on
Let , let and . Suppose that is cyclically invariant for each and that converge weakly to some limits . In particular, converge to some limits , and . Suppose that and that there are versions of the densities and constants such that for any fixed ,
where stands for a function as . Then is weakly cyclically invariant. Specifically, the quantities of Definition 4.1 can be chosen as
Assumption 2.3 for the space shows that is a version of and . As (4.1) implies (3.5), Proposition 3.5 yields that , hence and the definition of implies .
Let be such that and consider for the balls . To avoid unwieldy formulas, we use the vector notation
together with the convention that functions and measures are evaluated by multiplication over the components, for instance
As , we then have
We also have for large as and . On the other hand, and are invariant under due to the assumption on and the form of ; cf. (3.4). Thus
Applying the assumption on to each of the points then yields
where stands for a function of converging to zero as . For values of such that are continuity sets of (and hence also of and ), taking yields
On the other hand, also guarantees that and similarly for . Recalling , we deduce
and then letting (along a sequence of such that are continuity sets of ) shows , as desired. ∎
Assumption (4.1) on in Proposition 4.2 is a sufficient condition for
it can be replaced by any other condition implying (4.4). We note that (4.4) can be seen as a differentiation of measures intertwined with a weak limit.
As mentioned above, the second step is to upgrade the weak cyclical invariance. Some of these considerations are similar to arguments in the proofs of , where it is shown by variational arguments that minimizers of certain static Schrödinger bridge problems admit a factorization.
Let and let satisfy . The following are equivalent:
is weakly cyclically invariant,
there exist Borel functions and such that is a version of the density .
The implications and are immediate. The fact that is also well known, cf. , but will not be used directly. For the proof of , a measure-theoretic fact will be useful. Given a set with , Lemma 4.5 below states that within any set of positive measure we can find a point which acts like an airline hub for : any two points of are connected through , modulo marginal nullsets. In particular, any trip can be achieved with at most one stopover, and we may stop within . (The bound of one is optimal as the set need not be a rectangle; in fact, may fail to contain any measurable rectangle of positive measure [22, Exercise 5.4, p. 74].) Lemma 4.5 is refinement of [6, Lemma 4.3] which asserts the connectedness of in the sense of —in our analogy, connectedness means that any trip between two points of can be achieved with finitely many stopovers at some points in .
Let and let be Borel sets with and . There are Borel sets and with such that setting and , there exists a point
such that for any .
Let denote the section of a set at , and analogously for . Let . In view of Fubini’s theorem, implies . Similarly, implies that has positive -measure. In particular, there exists a point with .
Next, let . Then again , and in particular there exists a point . Moreover, the set satisfies . By passing to Borel subsets of full measure, we may assume that are themselves Borel.
Writing and , we have by construction that satisfies for all and for all . ∎
Let be as in Definition 4.1. Our aim is to find Borel functions and such that defines a version of the density . It is sufficient to construct on a Borel set of full marginal measure, as we may then extend by setting on , and similarly for . In particular, we may assume that and .
Noting that due to , we can apply Lemma 4.5 to and , and in view of the above observation, we may assume that and in its assertion. We then obtain a point
such that for any .
Define as an arbitrary number and . Given , we have and , allowing us to define
The fact that is Borel readily implies that are Borel. Define for . Clearly is Borel and takes values in . Let . Then and weak cyclical invariance yields
That is, on . To prove the same relation on , consider . There are and such that and are in , and of course we also have . Thus the already established fact that on implies
On the other hand, and and are all in , so that the invariance yields
As a result, , showing on . Recalling =1, it follows that is again a version of . ∎
Proof of Main Results and Ramifications
For ease of reference, we first summarize some known results.
Let , and .
If the static Schrödinger bridge problem (2.1) is finite, it admits a unique minimizer . Moreover, is cyclically invariant.
Let . If is cyclically invariant and (2.1) is finite, then is its minimizer.
There exists at most one such that is cyclically invariant.
Recall that cyclical invariance of is equivalent a factorization of the density into strictly positive functions; cf. Proposition 4.4 or . Taking that into account, (i) and (ii) can be found in [40, Theorem 2.1] in the stated generality. (The original results are due to , among others.) Finally, (iii) follows from (ii), as was also noted in [40, Corollary 2.9]: if have positive densities , admitting factorizations, then also admits a factorization and now (ii), applied with as reference measure, implies that is the unique minimizer of . As is itself a coupling, this minimizer is . ∎
Given data as in Theorem 2.5, the sequences and are tight, which readily implies the tightness of ; cf. [52, Lemma 4.4, p. 44]. In view of Propositions 4.2 and 4.4, any cluster point is such that is cyclically invariant. The uniqueness of cyclically invariant couplings, see Lemma 5.1 (iii), shows that all cluster points coincide and hence that the original sequence converges. This proves Theorem 2.5.
To deduce Theorem 1.4 from Theorem 2.5, we choose the reference measure as in (2.2); i.e.,
where are the normalizing constants. Combining the uniform convergence on bounded sets with the continuity of , we see that (2.4) holds, for instance with .
The uniqueness part of Theorem 2.4, as well as its last assertion, are stated in Lemma 5.1. To deduce existence from Theorem 2.5, we consider the constant marginals and define approximating reference measures via
where is the (finite) normalizing constant. As is continuous and positive, hence bounded away from zero on small balls, the condition (2.4) is satisfied with and a function independent of . The static Schrödinger bridge problem (2.1) for falls into the classical setting of Lemma 5.1 (i) because the product coupling satisfies . In particular, the associated cyclically invariant couplings exist, and now Theorem 2.5 implies the existence of such that is cyclically invariant. Finally, Theorem 1.3 is a direct consequence of Theorem 2.4 via (2.2). ∎
Define by and let be as in Theorem 2.4. As is cyclically invariant, a version of the relative density admits a factorization into positive Borel functions; cf. Proposition 4.4. The fact that has marginals then translates to the fact that solve the Schrödinger system. Uniqueness of up to a constant follows from the uniqueness of (here the fact that is particularly important). ∎
Assumption 2.3 can be replaced by the assumption that the marginals and satisfy the so-called doubling property. The latter assumption is structurally different as it refers to the specific measures rather than the metric spaces. Indeed, let be doubling; i.e., there exist such that
for any ball . This ensures that differentiation of measures (in the sense of Assumption 2.3) holds for measures ; cf. [31, Theorem 1.8, p. 4]. In particular, Lemma 3.2 holds as stated, and then so does Proposition 3.5. If is also doubling, then so is where , showing that differentiation wrt. holds for measures , in particular for in the context of Proposition 4.2. As , it follows that differentiation also holds wrt. . This ensures that the proof of Proposition 4.2 remains valid, and hence the main results.
We show that stability of entropic optimal transport fails as soon as the cost function has an “essential” discontinuity. To see why the qualifier is necessary, consider a cost function of the form
Fix arbitrary . As is discontinuous, there is a sequence such that
Consider the marginals and . Let be -cyclically invariant; that is,
After passing to a subsequence, converge weakly to a coupling of and . Suppose for contradiction that is cyclically invariant, then
As the left-hand side of (5.2) converges to the left-hand side of (5.3), the convergence of the right-hand sides follows, contradicting (5.1). ∎