Transportation theory (mathematics)

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In mathematics and economics, transportation theory or transport theory is a name given to the study of optimal transportation and allocation of resources. The problem was formalized by the French mathematician Gaspard Monge in 1781.[1]

In the 1920s A. N. Tolstoi was one of the first to study the transportation problem mathematically. In 1930, in the collection Transportation Planning Volume I for the National Commissariat of Transportation of the Soviet Union, he published a paper "Methods of Finding the Minimal Kilometrage in Cargo-transportation in space".[2][3]

Major advances were made in the field during World War II by the Soviet mathematician and economist Leonid Kantorovich.[4] Consequently, the problem as it is stated is sometimes known as the Monge–Kantorovich transportation problem.[5] The linear programming formulation of the transportation problem is also known as the HitchcockKoopmans transportation problem.[6]

Motivation

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Mines and factories

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Two one-dimensional distributions   and  , plotted on the   and  . The two distributions can be pictured as two piles of dirt, one before moving, and one after moving. The heatmap in the center is a transport plan and denotes where each atom of dirt would be moved to.

Suppose that we have a collection of   mines mining iron ore, and a collection of   factories which use the iron ore that the mines produce. Suppose for the sake of argument that these mines and factories form two disjoint subsets   and   of the Euclidean plane  . Suppose also that we have a cost function  , so that   is the cost of transporting one shipment of iron from   to  . For simplicity, we ignore the time taken to do the transporting. We also assume that each mine can supply only one factory (no splitting of shipments) and that each factory requires precisely one shipment to be in operation (factories cannot work at half- or double-capacity). Having made the above assumptions, a transport plan is a bijection  . In other words, each mine   supplies precisely one target factory   and each factory is supplied by precisely one mine. We wish to find the optimal transport plan, the plan   whose total cost

 

is the least of all possible transport plans from   to  . This motivating special case of the transportation problem is an instance of the assignment problem. More specifically, it is equivalent to finding a minimum weight matching in a bipartite graph.

This can be generalized to the continuous case, where there are infinitely many mines and factories distributed on the real line, or generally in any metric space. This case is usually pictured as "changing the shape of a pile of dirt", and thus called the earth mover's problem.

Moving books: the importance of the cost function

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The following simple example illustrates the importance of the cost function in determining the optimal transport plan. Suppose that we have   books of equal width on a shelf (the real line), arranged in a single contiguous block. We wish to rearrange them into another contiguous block, but shifted one book-width to the right. Two obvious candidates for the optimal transport plan present themselves:

  1. move all   books one book-width to the right ("many small moves");
  2. move the left-most book   book-widths to the right and leave all other books fixed ("one big move").

If the cost function is proportional to Euclidean distance (  for some  ) then these two candidates are both optimal. If, on the other hand, we choose the strictly convex cost function proportional to the square of Euclidean distance (  for some  ), then the "many small moves" option becomes the unique minimizer.

Note that the above cost functions consider only the horizontal distance traveled by the books, not the horizontal distance traveled by a device used to pick each book up and move the book into position. If the latter is considered instead, then, of the two transport plans, the second is always optimal for the Euclidean distance, while, provided there are at least 3 books, the first transport plan is optimal for the squared Euclidean distance.

Hitchcock problem

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The following transportation problem formulation is credited to F. L. Hitchcock:[7]

Suppose there are   sources   for a commodity, with   units of supply at   and   sinks   for the commodity, with the demand   at  . If   is the unit cost of shipment from   to  , find a flow that satisfies demand from supplies and minimizes the flow cost. This challenge in logistics was taken up by D. R. Fulkerson[8] and in the book Flows in Networks (1962) written with L. R. Ford Jr.[9]

Tjalling Koopmans is also credited with formulations of transport economics and allocation of resources.

Abstract formulation of the problem

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Monge and Kantorovich formulations

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The transportation problem as it is stated in modern or more technical literature looks somewhat different because of the development of Riemannian geometry and measure theory. The mines-factories example, simple as it is, is a useful reference point when thinking of the abstract case. In this setting, we allow the possibility that we may not wish to keep all mines and factories open for business, and allow mines to supply more than one factory, and factories to accept iron from more than one mine.

Let   and   be two separable metric spaces such that any probability measure on   (or  ) is a Radon measure (i.e. they are Radon spaces). Let   be a Borel-measurable function. Given probability measures   on   and   on  , Monge's formulation of the optimal transportation problem is to find a transport map   that realizes the infimum

 

where   denotes the push forward of   by  . A map   that attains this infimum (i.e. makes it a minimum instead of an infimum) is called an "optimal transport map".

Monge's formulation of the optimal transportation problem can be ill-posed, because sometimes there is no   satisfying  : this happens, for example, when   is a Dirac measure but   is not.

We can improve on this by adopting Kantorovich's formulation of the optimal transportation problem, which is to find a probability measure   on   that attains the infimum

 

where   denotes the collection of all probability measures on   with marginals   on   and   on  .

Cost duality

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Example c-duality transform, where c(x, y) = 2(cos(3x) + 1)|y − x|² + (4 − 2(cos(3x) + 1))|y − x|⁴ and  .

Given a cost function  , it produces a duality transformation   defined by This generalizes Legendre transformation, which is the case where   with a sign flip.

 
The c-convexification of a curve in the case where  .

 .

We say that a function   is c-convex if   for some  . Note that because  , we can always assume that   is c-convex. The c-convexification of a function   is  . Equivalently, it is the smallest c-convex function   such that   pointwise.[10]: Prop. 5.8  Like in the case of convex transformation,   is c-convex iff  .

If   is c-convex, then the set of c-subdifferential of   at   is the set of   such that  . Similarly for  .

When  , the graph   can be constructed as follows: Take the graph of  , and flip it upside down. At each point  , construct a graph of   apexed at  . That is, it is the graph of  . We obtain a whole set of such graphs. Their lower-edge envelope is the graph of  .

In the same image, we can see what it means for a function   to be c-convex. It is c-convex iff its entire graph can be "touched" by a "tipped tool" that is moving and shape-shifting. When the tipped tool is at  , it has a shape of   and is raised to a height of  . The graph of the c-convexification   is constructed by running the tipped tool so that it is lowered as much as possible, while still touching graph of   on the upper side. The lower envelope swept out by the tipped tool is the graph of  .[10]: Fig. 5.2 

For example, if   is a metric space and  , then   is c-convex iff it is 1-Lipschitz. This is used in the definition of 1-Wasserstein distance. If  , then   is c-convex iff its graph could be touched from above by a tipped tool with the shape of a paraboloid.

Existence and uniqueness

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Under fairly permissive assumptions, optimal transport plan exists.

If

  •   are Polish probability spaces,
  •   is lower semicontinuous,
  • and there exists some upper semicontinuous functions   of type   such that  ,

then an optimal transport plan exists. That is, exists   such that it reaches the infimum.[10]: Thm. 4.1 

Note that the infimum could be infinite if all transport plans turn out to be infinite. For example, if   is the Cauchy distribution, and  .

If

  •   are Polish probability spaces,
  •   is lower semicontinuous,
  • there exists some upper semicontinuous functions   of type   such that  ,
  • there exists a finite-cost transport plan,
  • and for any c-convex function  , for  -almost all  ,   has a unique c-subdifferential at  

then an optimal transport map exists.[10]: Thm. 5.30 

A restriction of an optimal transport plan is still optimal. That is, suppose   is optimal, and  , and define the normalized transport plan  , then   is an optimal transport plan between its own marginals.[10]: Thm. 4.6  If   isn't optimal, then there exists an improvement of it, which then translates back to an improvement of the original  .

Kantorovich duality

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The Kantorovich duality states that:[10]: Thm. 5.10 

If   are Polish probability spaces,   is lower semicontinuous, and there exists some upper semicontinuous functions   of type   such that  , then If furthermore,   only takes real values, there exists a transport plan with finite cost, and there exists some functions   such that  , then 

Consider the second case, where we can actually arrive at an exactly optimal plan, instead of merely getting closer and closer. In this case, an optimal transport plan  , constrains the form of an optimal pricing pair  , and vice versa.

Given such an optimal pricing pair  ,[10]: Remark 5.13 

  • given an arbitrary transport plan  , if all   satisfies the exact equality  , then   is an optimal plan;
  • given an optimal transport plan  , any   must satisfy the exact equality  .

More succinctly, a transport plan is optimal iff it is supported on the set of c-subdifferential pairs of  .

Stability

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The optimal transportation is stable in the following sense:[10]: Thm. 5.20 

Assume that   are Polish probability spaces,   is continuous, and   is finite. Given a sequence of continuous functions   converging uniformly to   over  , a sequence   weakly, a sequence   weakly, and a sequence of optimal transport plans  . If the transport costs   satisfy   and  , then   converges weakly to some  , and   is an optimal transport plan from   to  .

Similarly, the optimal transport map is also stable.[10]: Cor. 5.23 

Assume that   are Polish probability spaces,   is locally compact,   is lower semicontinuous, and   is finite. Given a sequence of lower semicontinuous functions   converging uniformly to   over  , a sequence   weakly,

Economic interpretation

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The optimal transport problem has an economic interpretation.[11] Cédric Villani recounts the following interpretation from Luis Caffarelli:[12]

Suppose you want to ship some coal from mines, distributed as  , to factories, distributed as  . The cost function of transport is  . Now a shipper comes and offers to do the transport for you. You would pay him   per coal for loading the coal at  , and pay him   per coal for unloading the coal at  . For you to accept the deal, the price schedule must satisfy  . The Kantorovich duality states that the shipper can make a price schedule that makes you pay almost as much as you would ship yourself.

In the interpretation, the duality transformation transforms a loading cost function   into the optimal (for the shipper) unloading cost function  . If the unloading cost function   were any higher at any point, then there would be some route   on which  , meaning that there is some route on which you would rather ship yourself. But if the unloading cost function were any lower at any point, then the shipper could have earned more money by raising the price there. Therefore, the shipper should always choose  . The same argument applied again then states that the shipper should always choose  , and therefore we obtain the lower bound half of the duality formula: The Kantorovich duality states that it is in fact an equality, i.e. the shipper can make you pay as much as you would pay yourself, though the shipper might never exactly reach the bound (thus the use of infimum and supremum, instead of minimum and maximum).

Assume that the shipper in fact must pay the same cost function and us, and can exactly reach the maximum revenue using   as their pricing chart. Then the shipper must use an optimal plan, at which point the shipper just breaks even with no profit. Conversely, any shipping plan that allows the shipper to exactly break even must be optimal.

Solution of the problem

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Optimal transportation on the real line

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Optimal transportation matrix
 
Continuous optimal transport

For  , let   denote the collection of probability measures on   that have finite  -th moment. Let   and let  , where   is a convex function.

  1. If   has no atom, i.e., if the cumulative distribution function   of   is a continuous function, then   is an optimal transport map. It is the unique optimal transport map if   is strictly convex.
  2. We have
 

The proof of this solution appears in Rachev & Rüschendorf (1998).[13]

Discrete version and linear programming formulation

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In the case where the margins   and   are discrete, let   and   be the probability masses respectively assigned to   and  , and let   be the probability of an   assignment. The objective function in the primal Kantorovich problem is then

 

and the constraint   expresses as

 

and

 

In order to input this in a linear programming problem, we need to vectorize the matrix   by either stacking its columns or its rows, we call   this operation. In the column-major order, the constraints above rewrite as

  and  

where   is the Kronecker product,   is a matrix of size   with all entries of ones, and   is the identity matrix of size  . As a result, setting  , the linear programming formulation of the problem is

 

which can be readily inputted in a large-scale linear programming solver (see chapter 3.4 of Galichon (2016)[11]).

Semi-discrete case

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In the semi-discrete case,   and   is a continuous distribution over  , while   is a discrete distribution which assigns probability mass   to site  . In this case, we can see[14] that the primal and dual Kantorovich problems respectively boil down to:

 

for the primal, where   means that   and  , and:

 

for the dual, which can be rewritten as:

 

which is a finite-dimensional convex optimization problem that can be solved by standard techniques, such as gradient descent.

In the case when  , one can show that the set of   assigned to a particular site   is a convex polyhedron. The resulting configuration is called a power diagram.[15]

Quadratic normal case

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Assume the particular case  ,  , and   where   is invertible. One then has

 
 
 

The proof of this solution appears in Galichon (2016).[11]

Separable Hilbert spaces

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Let   be a separable Hilbert space. Let   denote the collection of probability measures on   that have finite  -th moment; let   denote those elements   that are Gaussian regular: if   is any strictly positive Gaussian measure on   and  , then   also.

Let  ,  ,   for  . Then the Kantorovich problem has a unique solution  , and this solution is induced by an optimal transport map: i.e., there exists a Borel map   such that

 

Moreover, if   has bounded support, then

 

for  -almost all   for some locally Lipschitz,  -concave and maximal Kantorovich potential  . (Here   denotes the Gateaux derivative of  .)

By minimizing flows

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A gradient descent formulation for the solution of the Monge–Kantorovich problem was given by Sigurd Angenent, Steven Haker, and Allen Tannenbaum.[16]

Entropic regularization

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Consider a variant of the discrete problem above, where we have added an entropic regularization term to the objective function of the primal problem

 

One can show that the dual regularized problem is

 

where, compared with the unregularized version, the "hard" constraint in the former dual ( ) has been replaced by a "soft" penalization of that constraint (the sum of the   terms). The optimality conditions in the dual problem can be expressed as

Eq. 5.1:  
Eq. 5.2:  

Denoting   as the   matrix of term  , solving the dual is therefore equivalent to looking for two diagonal positive matrices   and   of respective sizes   and  , such that   and  . The existence of such matrices generalizes Sinkhorn's theorem and the matrices can be computed using the Sinkhorn–Knopp algorithm,[17] which simply consists of iteratively looking for   to solve Equation 5.1, and   to solve Equation 5.2. Sinkhorn–Knopp's algorithm is therefore a coordinate descent algorithm on the dual regularized problem.

Applications

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The Monge–Kantorovich optimal transport has found applications in wide range in different fields. Among them are:

See also

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References

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  1. ^ G. Monge. Mémoire sur la théorie des déblais et des remblais. Histoire de l'Académie Royale des Sciences de Paris, avec les Mémoires de Mathématique et de Physique pour la même année, pages 666–704, 1781.
  2. ^ Schrijver, Alexander, Combinatorial Optimization, Berlin; New York : Springer, 2003. ISBN 3540443894. Cf. p. 362
  3. ^ Ivor Grattan-Guinness, Ivor, Companion encyclopedia of the history and philosophy of the mathematical sciences, Volume 1, JHU Press, 2003. Cf. p.831
  4. ^ L. Kantorovich. On the translocation of masses. C.R. (Doklady) Acad. Sci. URSS (N.S.), 37:199–201, 1942.
  5. ^ Cédric Villani (2003). Topics in Optimal Transportation. American Mathematical Soc. p. 66. ISBN 978-0-8218-3312-4.
  6. ^ Singiresu S. Rao (2009). Engineering Optimization: Theory and Practice (4th ed.). John Wiley & Sons. p. 221. ISBN 978-0-470-18352-6.
  7. ^ Frank L. Hitchcock (1941) "The distribution of a product from several sources to numerous localities", MIT Journal of Mathematics and Physics 20:224–230 MR 0004469.
  8. ^ D. R. Fulkerson (1956) Hitchcock Transportation Problem, RAND corporation.
  9. ^ L. R. Ford Jr. & D. R. Fulkerson (1962) § 3.1 in Flows in Networks, page 95, Princeton University Press
  10. ^ a b c d e f g h i Berger, M.; Serre, D.; Sinaj, Jakov G.; Sloane, N. J. A.; Vershik, A. M.; Villani, Cédric; Waldschmidt, M.; Eckmann, B.; Harpe, P., eds. (2009). Optimal Transport: Old and New. Grundlehren der mathematischen Wissenschaften. Berlin, Heidelberg: Springer Berlin Heidelberg. ISBN 978-3-540-71049-3.
  11. ^ a b c Galichon, Alfred. Optimal Transport Methods in Economics. Princeton University Press, 2016.
  12. ^ Villani, Cédric (2003). "1.1.3. The shipper's problem.". Topics in optimal transportation. Providence, RI: American Mathematical Society. ISBN 0-8218-3312-X. OCLC 51477002.
  13. ^ Rachev, Svetlozar T., and Ludger Rüschendorf. Mass Transportation Problems: Volume I: Theory. Vol. 1. Springer, 1998.
  14. ^ Santambrogio, Filippo. Optimal Transport for Applied Mathematicians. Birkhäuser Basel, 2016. In particular chapter 6, section 4.2.
  15. ^ Aurenhammer, Franz (1987), "Power diagrams: properties, algorithms and applications", SIAM Journal on Computing, 16 (1): 78–96, doi:10.1137/0216006, MR 0873251.
  16. ^ Angenent, S.; Haker, S.; Tannenbaum, A. (2003). "Minimizing flows for the Monge–Kantorovich problem". SIAM J. Math. Anal. 35 (1): 61–97. CiteSeerX 10.1.1.424.1064. doi:10.1137/S0036141002410927.
  17. ^ Peyré, Gabriel and Marco Cuturi (2019), "Computational Optimal Transport: With Applications to Data Science", Foundations and Trends in Machine Learning: Vol. 11: No. 5-6, pp 355–607. DOI: 10.1561/2200000073.
  18. ^ Haker, Steven; Zhu, Lei; Tannenbaum, Allen; Angenent, Sigurd (1 December 2004). "Optimal Mass Transport for Registration and Warping". International Journal of Computer Vision. 60 (3): 225–240. CiteSeerX 10.1.1.59.4082. doi:10.1023/B:VISI.0000036836.66311.97. ISSN 0920-5691. S2CID 13261370.
  19. ^ Glimm, T.; Oliker, V. (1 September 2003). "Optical Design of Single Reflector Systems and the Monge–Kantorovich Mass Transfer Problem". Journal of Mathematical Sciences. 117 (3): 4096–4108. doi:10.1023/A:1024856201493. ISSN 1072-3374. S2CID 8301248.
  20. ^ Kasim, Muhammad Firmansyah; Ceurvorst, Luke; Ratan, Naren; Sadler, James; Chen, Nicholas; Sävert, Alexander; Trines, Raoul; Bingham, Robert; Burrows, Philip N. (16 February 2017). "Quantitative shadowgraphy and proton radiography for large intensity modulations". Physical Review E. 95 (2) 023306. arXiv:1607.04179. Bibcode:2017PhRvE..95b3306K. doi:10.1103/PhysRevE.95.023306. PMID 28297858. S2CID 13326345.
  21. ^ Metivier, Ludovic (24 February 2016). "Measuring the misfit between seismograms using an optimal transport distance: application to full waveform inversion". Geophysical Journal International. 205 (1): 345–377. Bibcode:2016GeoJI.205..345M. doi:10.1093/gji/ggw014.

Further reading

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