nips nips2013 nips2013-296 knowledge-graph by maker-knowledge-mining

296 nips-2013-Sinkhorn Distances: Lightspeed Computation of Optimal Transport


Source: pdf

Author: Marco Cuturi

Abstract: Optimal transport distances are a fundamental family of distances for probability measures and histograms of features. Despite their appealing theoretical properties, excellent performance in retrieval tasks and intuitive formulation, their computation involves the resolution of a linear program whose cost can quickly become prohibitive whenever the size of the support of these measures or the histograms’ dimension exceeds a few hundred. We propose in this work a new family of optimal transport distances that look at transport problems from a maximumentropy perspective. We smooth the classic optimal transport problem with an entropic regularization term, and show that the resulting optimum is also a distance which can be computed through Sinkhorn’s matrix scaling algorithm at a speed that is several orders of magnitude faster than that of transport solvers. We also show that this regularized distance improves upon classic optimal transport distances on the MNIST classification problem.

Reference: text


Summary: the most important sentenses genereted by tfidf model

sentIndex sentText sentNum sentScore

1 jp Abstract Optimal transport distances are a fundamental family of distances for probability measures and histograms of features. [sent-4, score-0.921]

2 We propose in this work a new family of optimal transport distances that look at transport problems from a maximumentropy perspective. [sent-6, score-1.194]

3 We smooth the classic optimal transport problem with an entropic regularization term, and show that the resulting optimum is also a distance which can be computed through Sinkhorn’s matrix scaling algorithm at a speed that is several orders of magnitude faster than that of transport solvers. [sent-7, score-1.365]

4 We also show that this regularized distance improves upon classic optimal transport distances on the MNIST classification problem. [sent-8, score-0.869]

5 1 Introduction Choosing a suitable distance to compare probabilities is a key problem in statistical machine learning. [sent-9, score-0.13]

6 When little is known on the probability space on which these probabilities are supported, various information divergences with minimalistic assumptions have been proposed to play that part, among which the Hellinger, χ2 , total variation or Kullback-Leibler divergences. [sent-10, score-0.131]

7 When the probability space is a metric space, optimal transport distances (Villani, 2009, §6), a. [sent-11, score-0.752]

8 earth mover’s (EMD) in computer vision (Rubner et al. [sent-14, score-0.107]

9 In the particular case that the metric probability space of interest can be embedded in Rn and n is small, computing or approximating optimal transport distances can become reasonably cheap. [sent-19, score-0.752]

10 When n ≥ 2, embeddings of measures can be used to approximate them in linear time (Indyk and Thaper, 2003; Grauman and Darrell, 2004; Shirdhonkar and Jacobs, 2008) and network simplex solvers can be modified to run in quadratic time (Gudmundsson et al. [sent-21, score-0.077]

11 Outside of the perimeter of these cases, computing a single distance between a pair of measures supported by a few hundred points/bins in an arbitrary metric space can take more than a few seconds on a single CPU. [sent-24, score-0.146]

12 This issue severely hinders the applicability of optimal transport distances in large-scale data analysis and goes as far as putting into question their relevance within the field of machine learning, where high-dimensional histograms and measures in high-dimensional spaces are now prevalent. [sent-25, score-0.791]

13 1 We show in this paper that another strategy can be employed to speed-up optimal transport, and even potentially define a better distance in inference tasks. [sent-26, score-0.124]

14 Our strategy is valid regardless of the metric characteristics of the original probability space. [sent-27, score-0.056]

15 Rather than exploit properties of the metric probability space of interest (such as embeddability in a low-dimensional Euclidean space) we choose to focus directly on the original transport problem, and regularize it with an entropic term. [sent-28, score-0.647]

16 We argue that this regularization is intuitive given the geometry of the optimal transport problem and has, in fact, been long known and favored in transport theory to predict traffic patterns (Wilson, 1969). [sent-29, score-1.058]

17 From an optimization point of view, this regularization has multiple virtues, among which that of turning the transport problem into a strictly convex problem that can be solved with matrix scaling algorithms. [sent-30, score-0.595]

18 We propose a novel implementation of this algorithm that can compute simultaneously the distance of a single point to a family of points using matrix-matrix products, and which can therefore be implemented on GPGPU architectures. [sent-33, score-0.09]

19 We show that, on the benchmark task of classifying MNIST digits, regularized distances perform better than standard optimal transport distances, and can be computed several orders of magnitude faster. [sent-34, score-0.724]

20 This paper is organized as follows: we provide reminders on optimal transport theory in Section 2, introduce Sinkhorn distances in Section 3 and provide algorithmic details in Section 4. [sent-35, score-0.731]

21 For two probability vectors r and c in the simplex Σd := {x ∈ Rd : xT 1d = 1}, where 1d is the d dimensional vector of ones, we write U (r, c) for the transport + polytope of r and c, namely the polyhedral set of d × d matrices, U (r, c) := {P ∈ Rd×d | P 1d = r, P T 1d = c}. [sent-38, score-0.579]

22 U (r, c) has a probabilistic interpretation: for X and Y two multinomial random variables taking values in {1, · · · , d}, each with distribution r and c respectively, the set U (r, c) contains all possible joint probabilities of (X, Y ). [sent-40, score-0.069]

23 Indeed, any matrix P ∈ U (r, c) can be identified with a joint probability for (X, Y ) such that p(X = i, Y = j) = pij . [sent-41, score-0.33]

24 We define the entropy h and the Kullback-Leibler divergences of P, Q ∈ U (r, c) and a marginals r ∈ Σd as d d ri log ri , h(r) = − i=1 pij log pij , h(P ) = − pij log KL(P Q) = ij i,j=1 pij . [sent-42, score-1.35]

25 qij Optimal Transport Distance Between r and c Given a d × d cost matrix M , the cost of mapping r to c using a transport matrix (or joint probability) P can be quantified as P, M . [sent-43, score-0.595]

26 P ∈U(r,c) is called an optimal transport (OT) problem between r and c given cost M . [sent-45, score-0.532]

27 An optimal table P ⋆ for this problem can be obtained, among other approaches, with the network simplex (Ahuja et al. [sent-46, score-0.111]

28 The optimum of this problem, dM (r, c), is a distance between r and c (Villani, 2009, §6. [sent-48, score-0.09]

29 1) whenever the matrix M is itself a metric matrix, namely whenever M belongs to the cone of distance matrices (Avis, 1980; Brickell et al. [sent-49, score-0.203]

30 , 2008): M = {M ∈ Rd×d : ∀i, j ≤ d, mij = 0 ⇔ i = j, ∀i, j, k ≤ d, mij ≤ mik + mkj }. [sent-50, score-0.221]

31 Hence, the set of tables P whose Kullback-Leibler divergence to rcT is constrained to lie below a certain threshold can be interpreted as the set of joint probabilities P in U (r, c) which have sufficient entropy with respect to h(r) and h(c), or small enough mutual information. [sent-56, score-0.197]

32 For reasons that will become clear in Section 4, we call the quantity below the Sinkhorn distance of r and c: Definition 1 (Sinkhorn Distance). [sent-57, score-0.09]

33 dM,α (r, c) := min P, M P ∈Uα (r,c) Why consider an entropic constraint in optimal transport? [sent-58, score-0.127]

34 As a classic result of linear optimization, the OT problem is always solved on a vertex of U (r, c). [sent-61, score-0.076]

35 From a probabilistic perspective, such vertices are quasi-deterministic joint probabilities, since if pij > 0, then very few probabilities pij ′ for j = j ′ will be non-zero in general. [sent-65, score-0.603]

36 Rather than considering such outliers of U (r, c) as the basis of OT distances, we propose to restrict the search for low cost joint probabilities to tables with sufficient smoothness. [sent-66, score-0.069]

37 Note that this is equivalent to considering the maximum-entropy principle (Jaynes, 1957; Darroch and Ratcliff, 1972) if we were to maximize entropy while keeping the transportation cost constrained. [sent-67, score-0.079]

38 They relax and penalize (through graph-based norms) the original transport problem to avoid undesirable properties exhibited by the original optima in the problem of color matching. [sent-70, score-0.498]

39 Metric Properties of Sinkhorn Distances When α is large enough, the Sinkhorn distance coincides with the classic OT distance. [sent-72, score-0.145]

40 When α = 0, the Sinkhorn distance has a closed form and becomes a negative definite kernel if one assumes that M is itself a negative definite distance, or equivalently a Euclidean distance matrix1 . [sent-73, score-0.228]

41 For α large enough, the Sinkhorn distance dM,α is the transport distance dM . [sent-75, score-0.678]

42 If M is a Euclidean distance matrix, dM,0 is a negative definite kernel and e−tdM,0 , the independence kernel, is positive definite for all t > 0. [sent-80, score-0.176]

43 Beyond these two extreme cases, the main theorem of this section states that Sinkhorn distances are symmetric and satisfy triangle inequalities for all possible values of α. [sent-82, score-0.191]

44 Since for α small enough dM,α (r, r) > 0 for any r such that h(r) > 0, Sinkhorn distances cannot satisfy the coincidence axiom (d(x, y) = 0 ⇔ x = y holds for all x, y). [sent-83, score-0.192]

45 The function (r, c) → 1r=c dM,α (r, c) satisfies all three distance axioms. [sent-87, score-0.09]

46 1 ∃n, ∃ϕ1 , · · · , ϕd ∈ Rn such that mij = ϕi − ϕj 2 . [sent-88, score-0.095]

47 Recall that, in that case, M raised to power t 2 element-wise, [mt ], 0 < t < 1 is also a Euclidean distance matrix (Berg et al. [sent-89, score-0.147]

48 This drawing implicitly assumes that the optimal transport P ⋆ is unique. [sent-95, score-0.532]

49 The Sinkhorn distance dM,α (r, c) is equal to Pα , M , the minimum of the dot product with M on that ball. [sent-96, score-0.09]

50 The dual-sinkhorn distance dλ (r, c), the minimum of the transport problem regularized by M minus the entropy divided by λ, reaches its minimum at a unique solution P λ , forming a regularization path for varying λ from rcT to P ⋆ . [sent-98, score-0.731]

51 19) is key to proving that OT distances are indeed distances. [sent-103, score-0.164]

52 We can prove the triangle inequality for dM,α by using the same proof strategy than that used for classic transport distances: Proof of Theorem 1. [sent-110, score-0.58]

53 jk 4 Computing Regularized Transport with Sinkhorn’s Algorithm We consider in this section a Lagrange multiplier for the entropy constraint of Sinkhorn distances: For λ > 0, dλ (r, c) := P λ , M , where P λ = argmin P, M − M P ∈U(r,c) 1 h(P ). [sent-115, score-0.085]

54 We call dλ the dual-Sinkhorn divergence and show that it can be computed M 4 for a much cheaper cost than the original distance dM . [sent-117, score-0.133]

55 Since the entropy of P λ decreases monotonically with λ, computing dM,α M can be carried out by computing dλ with increasing values of λ until h(P λ ) reaches h(r)+h(c)−α. [sent-119, score-0.058]

56 Computing dλ with Matrix Scaling Algorithms Adding an entropy regularization to the optiM mal transport problem enforces a simple structure on the optimal regularized transport P λ : Lemma 2. [sent-121, score-1.144]

57 The fact that P λ can be written as a rescaled version of K is a well known fact in transport theory (Erlander and Stewart, 1990, §3. [sent-125, score-0.498]

58 3): let L(P, α, β) be the Lagrangian of Equation (2) with dual variables α, β ∈ Rd for the two equality constraints in U (r, c): 1 pij log pij + pij mij + αT (P 1d − r) + β T (P T 1d − c). [sent-126, score-0.896]

59 L(P, α, β) = λ ij For any couple (i, j), (∂L/∂pij = 0) ⇒ pij = e−1/2−λαi e−λmij e−1/2−λβj . [sent-127, score-0.308]

60 ∗ M )v) Parallelism, Convergence and Stopping Criteria As can be seen right above, Sinkhorn’s algorithm can be vectorized and generalized to N target histograms c1 , · · · , cN . [sent-150, score-0.095]

61 When N > 1, the computations for N target histograms can be simultaneously carried out by updating a single matrix of scaling factors u ∈ Rd×N instead of updating a scaling vector u ∈ Rd . [sent-152, score-0.199]

62 Kjl Kim The upper bound κ(K) tends to 1 as λ grows, and we do observe a slower convergence as P λ gets closer to the optimal vertex P ⋆ (or the optimal facet of U (r, c) if it is not unique). [sent-157, score-0.089]

63 5 5 Experimental Results MNIST Digits We test the performance of dual-Sinkhorn divergences on the MNIST digits dataset. [sent-160, score-0.115]

64 Given a distance d, we form the kernel e−d/t , where t > 0 is chosen by CV on each training fold within {1, q10 (d), q20 (d), q50 (d)}, where qs is the s% quantile of a subset of distances observed in that fold. [sent-164, score-0.302]

65 M is the 400 × 400 matrix of Euclidean distances between the 20 × 20 bins in the grid. [sent-172, score-0.198]

66 We also tried Mahalanobis distances on this example using exp(-tM. [sent-173, score-0.164]

67 For the Independence kernel we considered [ma ] where ij a ∈ {0. [sent-175, score-0.089]

68 We select λ in {5, 7, 9, 11} × 1/q50 (M ) where q50 (M (:)) is the median distance between pixels. [sent-178, score-0.09]

69 The dual-Sinkhorn divergence beats by a safe margin all other distances, including the classic optimal transport distance, here labeled as EMD. [sent-181, score-0.63]

70 We study the converDeviation of Sinkhorn’s Distance to EMD on subset of MNIST Data gence of the dual-Sinkhorn divergence towards classic optimal transport distances as 1. [sent-183, score-0.794]

71 For this experiment as well as all the other experiments be1 5 9 15 25 50 100 λ low, we compute a vector of N divergences d at each iteration, and stop when none of the N values of d varies more in absolute Figure 3: Decrease of the gap between the dualvalue than a 1/100th of a percent i. [sent-195, score-0.091]

72 ) Several Orders of Magnitude Faster Computational Speed for Histograms of We measure the computational speed of Varying Dimension Drawn Uniformly on the Simplex (log log scale) classic optimal transport distances vs. [sent-202, score-0.751]

73 that of dual-Sinkhorn divergences using RubFastEMD 2 Rubner’s emd 10 ner et al. [sent-203, score-0.283]

74 M is the all−2 pairs shortest-path matrix obtained from 10 this connectivity matrix using the FloydWarshall algorithm (Ahuja et al. [sent-212, score-0.091]

75 We 64 128 256 512 1024 2048 implemented Algorithm 1 in matlab, and Histogram Dimension use emd mex and emd hat gd metric mex/C files. [sent-218, score-0.394]

76 The EMD distances and Figure 4: Average computational time required to comSinkhorn CPU are run on a single core pute a distance between two histograms sampled uni(2. [sent-219, score-0.349]

77 Sinkhorn GPU is run formly in the d dimensional simplex for varying values on a NVidia Quadro K5000 card. [sent-221, score-0.082]

78 Dual-Sinkhorn divergences are run both on a sinsider λ in {1, 10, 50}. [sent-223, score-0.091]

79 ’s implementation cannot be run for histograms larger than d = 512. [sent-227, score-0.095]

80 As can be expected, the competitive advantage of dual-Sinkhorn divergences over EMD solvers increases with the dimension. [sent-228, score-0.091]

81 6 Conclusion We have shown that regularizing the optimal transport problem with an entropic penalty opens the door for new numerical approaches to compute OT. [sent-236, score-0.625]

82 This regularization yields speed-ups that are effective regardless of any assumptions on the ground metric M . [sent-237, score-0.084]

83 Based on preliminary evidence, it 7 seems that dual-Sinkhorn divergences do not perform worse than the EMD, and may in fact perform better in applications. [sent-238, score-0.091]

84 Dual-Sinkhorn divergences are parameterized by a regularization weight λ which should be tuned having both computational and performance objectives in mind, but we have not observed a need to establish a trade-off between both. [sent-239, score-0.119]

85 The set U1 (r, c) contains all joint probabilities P for which h(P ) = h(r) + h(c). [sent-243, score-0.069]

86 If M is negative definite, there exists vectors (ϕ1 , · · · , ϕd ) in some Euclidean space Rn such that mij = ϕi − ϕj 2 through (Berg et al. [sent-247, score-0.118]

87 We thus have 2 that rT M c = ri cj ϕi − ϕj 2 ri ϕi =( 2 ri ϕi , cj ϕj ij i i ij ci ϕi 2 ) − 2 + = rT u + cT u − 2rT Kc where ui = φi 2 and Kij = ϕi , ϕj . [sent-251, score-0.22]

88 kernels: the first term (rT u + cT u) is the sum of the same function evaluated separately on r and c, and thus a negative definite kernel (Berg et al. [sent-257, score-0.071]

89 10); the latter term −2rT Ku is negative definite as minus a positive definite kernel (Berg et al. [sent-260, score-0.1]

90 Given a matrix M , one can indeed pre-compute the vector of norms u as well as a Cholesky factor L of K above to preprocess a dataset of histograms by premultiplying each observations ri by L and only store T Lri as well as precomputing its diagonal term ri u. [sent-266, score-0.221]

91 Note that the independence kernel is positive definite on histograms with the same 1-norm, but is no longer positive definite for arbitrary vectors. [sent-267, score-0.181]

92 Let T be the a probability distribution on {1, · · · , d}3 whose coefficients are defined as pij qjk tijk := , (3) yj for all indices j such that yj > 0. [sent-269, score-0.799]

93 For indices j such that yj = 0, all values tijk are set to 0. [sent-270, score-0.168]

94 Indeed, sijk = i j j i sijk = k j j k pij qjk = yj pij qjk = yj j qjk yj j pij yj j qjk yj = yj j j pij yj = yj j pij = i qjk = k qjk = zk (column sums) pij = xi (row sums) We now prove that h(S) ≥ h(x) + h(z) − α. [sent-273, score-4.1]

95 An efficient gpu implementation of the revised simplex method. [sent-300, score-0.126]

96 Maximum entropy for hypothesis formulation, especially for multidimensional contingency tables. [sent-349, score-0.058]

97 Small manhattan networks and algorithmic applications for the earth movers distance. [sent-364, score-0.136]

98 An efficient earth mover’s distance algorithm for robust histogram comparison. [sent-386, score-0.174]

99 The earth movers distance, multi-dimensional scaling, and color-based image retrieval. [sent-408, score-0.136]

100 The use of entropy maximising models, in the theory of trip distribution, mode split and route split. [sent-427, score-0.058]


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