Abstract
In this article we study the noncommutative transport distance introduced by Carlen and Maas and its entropic regularization defined by Becker and Li. We prove a duality formula that can be understood as a quantum version of the dual Benamou–Brenier formulation of the Wasserstein distance in terms of subsolutions of a Hamilton–Jacobi–Bellmann equation.
Keywords: Quantum Markov semigroup, Duality, Quantum optimal transport
Introduction
The theory of optimal transport [28, 29] has experienced rapid growth in recent years with applications in diverse fields across pure and applied mathematics. Along with this growth came a lot of interest in extending the methods of optimal transport beyond the scope of its original formulation as an optimization problem for the transport cost between two probability measures.
One such extension deals with “quantum spaces”, where the probability measures are replaced by density matrices or density operators. Most of the work on quantum optimal transport in this sense can be grouped into one of the following two categories. The first approach (see e.g. [6–9, 11, 22, 27]) takes a quantum Markov semigroup (QMS) as input datum and relies on a noncommutative analog of the Benamou–Brenier formulation [4] of the Wasserstein distance for probability measures on Euclidean space
In the simple case when the generator of the QMS is of the form
with self-adjoint matrices , the associated noncommutative transport distance on the set of density matrices is given by
where the infimum is taken over curves that satisfy , , and where
For the definition of the metric in the more general case of a QMS satisfying the detailed balance condition (DBC), we refer to the next section.
This approach has proven fruitful in applications to noncommutative functional inequalities, similar in spirit to the heuristics known as Otto calculus [8, 9, 12, 31].
The second approach (see e.g. [13, 14, 17, 23, 25, 26]) seeks to find a suitable noncommutative analog of the Monge–Kantorovich formulation [20] of the Wasserstein distance via couplings (or transport plans):
This approach also allows to consider a quantum version of Monge–Kantorovich problem for arbitrary cost functions. So far, possible connections between these two approaches in the quantum world stay elusive.
The focus of this article lies on the noncommutative transport distance introduced in the first approach. More precisely, we prove a dual formula that is a noncommutative analog of the expression of the classical -Wasserstein distance in terms of subsolutions of the Hamilton–Jacobi equation [5, 24]
This result yields a noncommutative version of the dual formula obtained independently by Erbar et al. [15] and Gangb et al. [16] for the Wasserstein-like transport distance on graphs. In fact, we prove a dual formula that is not only valid for the metric , but also for the entropic regularization recently introduced by Becker–Li [3]. When the generator is again of the simple form discussed above, the entropic regularization is a metric obtained when replacing the constraint
in the definition of by
With the notation introduced in the next section, the main result of this article reads as follows.
Theorem
Let be an invertible density matrix and an ergodic QMS on that satisfies the -DBC. The entropic regularization of noncommutative transport distance induced by satisfies the following dual formula:
Here a QMS is said to satisfy the -DBC if
for all and . If is the identity matrix, this is the case exactly when the generator is of the form with self-adjoint matrices .
Moreover, stands for the set of all Hamilton–Jacobi–Bellmann subsolutions, a suitable noncommutative variant of solutions of the differential inequality
Other metrics similar to also occur in the literature, most notably the one called the “anticommutator case” in [3, 10, 11]. In [9, 30], a class of such metrics was studied in a systematic way, and our main theorem applies in fact to this wider class of metrics. For the anticommutator case, this duality formula was obtained before in [10].
There are still some very natural questions left open. For one, we do not discuss the existence of optimizers. While for the primal problem this follows from a standard compactness argument, this question is more delicate for the dual problem, even when dealing with probability densities on discrete spaces instead of density matrices, and one has to relax the problem to obtain maximizers (see [16, Sects. 6–7]).
Another interesting direction would be to extend the duality result from matrix algebras to infinite-dimensional systems. While a definition of the metric for QMSs on semi-finite von Neumann algebras is available [19, 30], the problem of duality seems to be much harder to address. Even for abstract diffusion semigroups, the best known result only shows that the primal distance is the upper length distance associated with the dual distance and leaves the question of equality open [2, Proposition 10.11].
Setting and Basic Definitions
In this section we introduce basic facts and definitions about QMSs that will be used later on. In particular, we review the definition of the noncommutative transport distance from [8] and its entropic regularization introduced in [3]. Our notation mostly follows [8, 9]. For a list of symbols we refer the reader to the end of this article.
Let denote the complex matrices and let be a unital -subalgebra of . Let denote the self-adjoint part of , the cone of positive elements of and the subset of invertible positive elements. We write for the normalized trace on , that is,
and for the Hilbert space formed by equipping with the GNS inner product
The adjoint of a linear operator is denoted by .
We write for the set of all density matrices on , that is, all positive elements with . The subset of invertible density matrices is denoted by .
A QMS on is a family of linear operators on that satisfy the following conditions:
is unital and completely positive for every ,
, for all ,
is continuous.
We consider a QMS on which extends to a QMS on satisfying the -detailed balance condition (-DBC) for some density matrix , that is,
for and . For , this reduces to the symmetry condition .
Let denote the generator of , that is, the linear operator on given by
We further assume that is ergodic (or primitive), that is, the kernel of is one-dimensional. This assumption is natural in this context as it ensures that the metric defined below is the geodesic distance induced by a Riemannian metric on and in particular that it is finite.
Generators of QMSs are often described by their Lindblad form, but here we will rely on the additional structure coming from the -DBC and use a presentation of provided by Alicki’s theorem [1, Theorem 3], [8, Theorem 3.1] instead: There exists a finite set , real numbers for and for with the following properties:
for ,
for ,
for every there exists a unique with ,
for
such that
for .
The numbers are called Bohr frequencies of and are uniquely determined by . The matrices are not uniquely determined by and , but in the following we will fix a set that satisfies the preceding conditions.
Next we will discuss how the data from Alicki’s theorem give rise to a differential structure associated with .
Let
where is a copy of for . This is the quantum analog of the space of tangent vector fields in our setting.
We write for and
which provide analogs of the partial derivatives and the usual gradient operator, respectively. The commutator satisfies the product rule
| 1 |
Note that in contrast too the usual partial derivatives, the order of the factors plays a role here. This is one central reason for many of the differences and intricacies of the quantum optimal transport distance compared to the classical Wasserstein distance.
Continuing with the analogy with calculus, we write for the adjoint of , that is,
The crucial ingredient in the definition of , which allows to deal with the noncommutativity of the product rule, is the operator , whose definition we recall next. For and define
The motivation for this definition is a chain rule identity [8, Eq. (5.7)], which can best be illustrated in the case :
Given , we define
For we write
for the set of all pairs such that with , , and
| 2 |
for a.e. .
Here and in the following we write for the space of all maps such that for all . The space and other vector-valued functions spaces occurring later are defined similarly.
We define a metric on by
where with the Bohr frequencies of .
For , this is the noncommutative transport distance introduced in [8] (as distance function associated with a Riemannian metric on ), and for , this is the entropic regularization of introduced in [3].
A standard mollification argument shows that the infimum in the definition of can equivalently be taken over
with . More precisely, if
and is a mollifying kernel, then satisfies (2). A suitable reparametrization of the time parameter gives a pair
such that is smooth and
By a substitution one can reformulate the minimization problem for in such a way that the constraint becomes independent from . For that purpose define the relative entropy of with respect to by
and the Fisher information of by
According to [3, Theorem 1], one has
The metric is intimately connected to the relative entropy and therefore well-suited to study its decay properties along the QMS. For other applications, variants of the metric have also proven useful (e.g. [10, 11]), for which the operator is replaced. A systematic framework of these metrics has been developed in [9, 30]. It can be conveniently phrased in terms of so-called operator connections.
Let H be an infinite-dimensional Hilbert space. A map is called an operator connection [21] if
and imply for ,
for ,
, imply for .
For example, for every the map
is an operator connection.
It can be shown that every operator connection satisfies
for and unitary [21, Sect. 2]. Embedding into H, one can view as bounded linear operators on H, and the unitary invariance of ensures that does not depend on the embedding of into H.
For define
Note that if , then
so that L(X) is a positive operator, and the same holds for R(X).
Thus we can define
If and denotes the identity matrix, then is a scalar multiple of the identity as a consequence the unitary invariance of discussed above. By a slight abuse of notation, this scalar will be denoted by .
Since L(X) and R(X) commute, we have
| 3 |
for and , where are the eigenvalues of X and the corresponding spectral projections.
More generally let be a family of operator connections and define
Clearly, with the operator connection from above.
Then one can define a distance by
If as above, then we retain the original metric , while for (and ) one obtains the distance studied in [10, 11].
Later we will make the additional assumption that , where is the unique index in the Alicki representation of such that . It follows from the representation theorem of operator means [21] that the class of metrics with subject to this symmetry condition is exactly the class of metrics satisfying Assumptions 7.2 and 9.5 in [9].
For technical reasons in the proof of Theorem 2, it will be necessary to allow for curves of density matrices that are not necessarily invertible. For this purpose, we make the following convention: If is a positive operator and , we define
Since and is injective on , the element in this definition exists and is unique. Moreover, this convention is clearly consistent with the usual definition if is invertible.
Alternatively, as a direct consequence of the spectral theorem, this expression can equivalently be defined as
where are the eigenvalues of and an orthonormal basis of corresponding eigenvectors.
Lemma 1
If are positive invertible operators that converge monotonically decreasing to then
for all .
Proof
From the spectral expression it is easy to see that
and the same for replaced by . Moreover, since , we have . Thus
Since is monotonically increasing, this settles the claim.
Write
for the set of all pairs such that with , , and
for a.e. . The only difference to the definition of
is that is not assumed to be invertible.
Proposition 1
For we have
Proof
It suffices to show that every curve
can be approximated by curves in
such that the action integrals converge.
For that purpose let
Since is assumed to be ergodic, by [8, Theorem 5.4] there exists for every a unique with such that
and X(t) depends continuously on t. For let .
Moreover, if is the smallest eigenvalue of , which is strictly positive by assumption, then .
Thus
as . Similarly one can show
By the same argument as above, for a.e. there exists a unique gradient such that
and
Since , the norm on the right side is bounded independent of , so that
with a constant independent of . As for , this implies
as .
With
we have
Furthermore,
where we used the substitution .
By Lemma 1 and the monotone convergence theorem we obtain
Together with the convergence result for from above, this implies
Altogether we have shown
Real subspaces
Since the proof of the main result relies on convex analysis methods for real Banach spaces, we need to identify suitable real subspaces for our purposes. For this is simply , but for this is less obvious and will be done in the following.
For denote by the unique index in such that . Let be the linear span of , and define a linear map by
By the product rule (1), also belongs to and
Thus J interchanges left and right multiplication, that is, for and .
Lemma 2
The map J is anti-unitary.
Proof
For we have
Let
By the previous lemma, is a real Hilbert space.
Lemma 3
Let be a family of operator connections such that
for all . If and then .
Proof
For the statement follows directly from the definitions. For first note that
as a consequence of the spectral representation (3) and the fact that J interchanges left and right multiplication.
Thus
Duality
In this section we prove the duality theorem announced in the introduction. Our strategy follows the same lines as the proof in the commutative case in [15]. It crucially relies on the Rockafellar–Fenchel duality theorem quoted below. Throughout this section we fix an ergodic QMS with generator satisfying the -DBC for some and a family of operator connections such that for all .
We need the following definition for the constraint of the dual problem. Here and in the following we write
for and .
Definition 1
A function is said to be a Hamilton–Jacobi–Bellmann subsolution if for a.e. we have
The set of all Hamilton–Jacobi–Bellmann subsolutions is denoted by .
Our proof will establish equality between the primal and dual problem, but before we begin, let us show that one inequality is actually quite easy to obtain.
Proposition 2
For all we have
Proof
For and
we have
where we used and
for the first inequality and Young’s inequality for the second inequality.
To prove actual equality, our crucial tool is the Rockafellar–Fenchel duality theorem (see e.g. [28, Theorem 1.9], which we quote here for the convenience of the reader. Recall that if E is a (real) normed space, the Legendre–Fenchel transform of a proper convex function is defined by
Theorem 1
Let E be a real normed space and proper convex functions with Legendre–Fenchel transforms . If there exists such that G is continuous at and then
Before we state the main result, we still need the following useful inequality.
Lemma 4
For any operator connection the map
is smooth and its Fréchet derivative satisfies
for with equality if .
Proof
Smoothness of is a consequence of the representation theorem of operator connections [21, Theorem 3.4]. For the claim about the Fréchet derivative first note that is concave [21, Theorem 3.5]. Therefore for all and by [18, Proposition 2.2].
The fundamental theorem of calculus implies
Since is 1-homogeneous by [21, Eq. (2.1)], its derivative is 0-homogeneous. Thus, if we replace B by and let , we obtain
Moreover, the 1-homogeneity of implies , which settles the claim.
Theorem 2
(Duality formula) For we have
Proof
The second inequality follows easily by mollifying. We will show the duality formula for Hamilton–Jacobi subsolutions in . For this purpose we use the Rockafellar–Fenchel duality formula from Theorem 1.
Let E be the real Banach space
By the theory of linear ordinary differential equations, the map
is a linear isomorphism.
Thus the dual space can be isomorphically identified with
via the dual pairing
Define functionals by
Here denotes the set of all pairs such that
for all , .
It is easy to see that F and G are convex. Moreover, for and we have , hence , and
for all , hence . Furthermore, G is clearly continuous at .
Moreover,
Let us calculate the Legendre transforms of F and G, keeping in mind the identification of . For F we obtain
Since the last expression is homogeneous in A, we have unless
for all .
This implies and and
Thus
Here
denotes the set of all pairs satisfying , and
The difference to the definitions of
(or
) and
is that we do not make any positivity or normalization constraints. Note however that if
, then
so that (and ).
Now let us turn to the Legendre transform of G. We have
Since implies for all , we have unless . Furthermore, it follows from the definition of that unless for a.e. .
For we have
We will show next that the inequalities are in fact equalities. Let and . Moreover, let with the notation from Lemma 4. Since
is a bounded linear map that depends continuously on t, there exists a unique continuous map such that
for every and .
Let
We claim that . Indeed,
where the inequality follows from Lemma 4. Note that we have equality for .
In particular, for we obtain
On the other hand,
where we again used Lemma 4 for the first inequality.
Put together, we have
and
follows from the monotone convergence theorem.
Hence
if for a.e. . Together with the formula for , we obtain
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where the last equality follows from Proposition 1.
An application of the Rockafellar–Fenchel theorem yields the desired conclusion.
Acknowledgements
The author wants to thank Jan Maas for helpful comments. He also acknowledges financial support from the Austrian Science Fund (FWF) through Grant Number F65 and from the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Programme (Grant Agreement No. 716117).
Funding
Open access funding provided by Institute of Science and Technology (IST Austria).
Footnotes
Publisher's Note
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