jmlr jmlr2012 jmlr2012-108 knowledge-graph by maker-knowledge-mining
Source: pdf
Author: Nicolas Gillis
Abstract: Nonnegative matrix factorization (NMF) has become a very popular technique in machine learning because it automatically extracts meaningful features through a sparse and part-based representation. However, NMF has the drawback of being highly ill-posed, that is, there typically exist many different but equivalent factorizations. In this paper, we introduce a completely new way to obtaining more well-posed NMF problems whose solutions are sparser. Our technique is based on the preprocessing of the nonnegative input data matrix, and relies on the theory of M-matrices and the geometric interpretation of NMF. This approach provably leads to optimal and sparse solutions under the separability assumption of Donoho and Stodden (2003), and, for rank-three matrices, makes the number of exact factorizations finite. We illustrate the effectiveness of our technique on several image data sets. Keywords: nonnegative matrix factorization, data preprocessing, uniqueness, sparsity, inversepositive matrices
Reference: text
sentIndex sentText sentNum sentScore
1 Our technique is based on the preprocessing of the nonnegative input data matrix, and relies on the theory of M-matrices and the geometric interpretation of NMF. [sent-6, score-0.327]
2 Keywords: nonnegative matrix factorization, data preprocessing, uniqueness, sparsity, inversepositive matrices 1. [sent-9, score-0.268]
3 Introduction Given an m-by-n nonnegative matrix M ≥ 0 and a factorization rank r, nonnegative matrix factorization (NMF) looks for two nonnegative matrices U and V of dimension m-by-r and r-by-n respectively such that M ≈ UV . [sent-10, score-0.889]
4 Since M: j ≈ ∑r U:kVk j ∀ j, each column M: j of M is reconstructed using an additive linear combination of k=1 nonnegative basis elements (the columns of U). [sent-13, score-0.315]
5 Therefore, the columns of θ(M) are convex combinations (linear combinations with nonnegative weights summing to one) of the columns of θ(U). [sent-38, score-0.372]
6 An exact NMF M = UV can then be geometrically interpreted as a polytope T = conv(θ(U)) nested between an inner polytope conv(θ(M)) and an outer polytope ∆m . [sent-40, score-0.394]
7 Hence finding the minimal number of nonnegative rank-one factors to reconstruct M exactly is equivalent to finding a polytope T with minimum number of vertices nested between two given polytopes: the inner polytope conv(θ(M)) and the outer polytope ∆m . [sent-41, score-0.648]
8 This problem is referred to as the nested polytopes problem (NPP), and is then equivalent to computing an exact nonnegative matrix factorization (Hazewinkel, 1984); see also Gillis and Glineur (2012a) and the references therein. [sent-42, score-0.359]
9 In the remaining of the paper, we will denote NPP(M) the NPP instance corresponding to M with inner polytope conv(θ(M)) and outer polytope ∆m . [sent-43, score-0.228]
10 Geometrically, requiring the matrix U to be sparse is equivalent to requiring the vertices of the nested polytope conv(θ(U)) to be located on the low-dimensional faces of the outer polytope ∆m , hence making the problem more well posed. [sent-61, score-0.522]
11 Volume maximization of conv(θ(U)) is also possible, leading to a sparser factor U (since the columns of U will be encouraged to be on the faces of ∆m ), see Wang et al. [sent-69, score-0.217]
12 Geometrically, it amounts to position the vertices of conv(θ(U)) on the low-dimensional faces of ∆m so that if one of the columns of θ(U) is not on a facet of ∆m (that is, Uik > 0 for some i, k), then all the other columns of U must be on that facet (that is, Uip = 0 ∀p = k). [sent-78, score-0.338]
13 Our technique is based on a preprocessing of the input matrix M to make it sparser while preserving its nonnegativity and its column space. [sent-84, score-0.325]
14 The motivation is based on the geometric interpretation of NMF which shows that sparser matrices will correspond to more well-posed NMF problems whose solutions are sparser. [sent-85, score-0.201]
15 In Section 3, we introduce a preprocessing P (M) = MQ of M where Q is an inverse-positive matrix, that is, Q has full rank and its inverse Q−1 is nonnegative. [sent-88, score-0.25]
16 Moreover, in the exact case for rank-three matrices (that is, M = UV and rank(M) = 3), we show how the preprocessing can be used to obtain an equivalent NMF problem with a finite number of solutions. [sent-91, score-0.201]
17 Non-Uniqueness, Geometry and Sparsity Let M ∈ Rm×n and (U,V ) ∈ Rm×r × Rr×n be an exact nonnegative matrix factorization of M = + + + UV . [sent-95, score-0.296]
18 The minimum r such that such a decomposition exists is the nonnegative rank of M and will be denoted rank+ (M). [sent-96, score-0.29]
19 However, if all columns of conv(θ(M)) are located on k-dimensional faces of T having exactly k + 1 vertices, then the convex combinations given by V are unique (Sun and Xin, 2011). [sent-99, score-0.203]
20 It is interesting to notice that the columns of M containing zero entries are located on the boundary of the outer polytope ∆m , and these points must be on the boundary of any solution T of NPP(M). [sent-107, score-0.374]
21 In particular, Donoho and Stodden (2003) showed that “requiring that some of the data are spread across the faces of the nonnegative orthant, there is unique simplicial cone”, that is, there is a unique conv(θ(U)). [sent-109, score-0.254]
22 If r columns of θ(M) coincide with r different vertices of ∆m ∩ col(θ(M)), then the exact NMF of M is unique. [sent-112, score-0.232]
23 Since r columns of θ(M) coincide with r vertices of ∆m ∩ col(θ(M)), we have that conv(θ(U)) = conv(θ(M)) is the unique solution of NPP(M), and Theorem 3 allows to conclude. [sent-115, score-0.257]
24 It is interesting to notice that this result implies that the only 3-by-3 rank-three nonnegative matrices having a unique exact NMF are the monomial matrices (permutation and scaling of the identity matrix) since all other matrices have at least two distinct exact NMF: M = MI = IM. [sent-131, score-0.447]
25 Finally, although sparsity is neither a necessary (see Remark 7 below) nor a sufficient condition for uniqueness (except in some cases, see for example Theorem 6 or Donoho and Stodden, 2003), the geometric interpretation of NMF shows that sparser matrices M lead to more well-posed NMF problems. [sent-132, score-0.25]
26 In fact, many points of the inner polytope in NPP(M) are located on the boundary of the outer polytope ∆m . [sent-133, score-0.292]
27 As it was shown in the previous paragraph, this can be achieved by working with sparser nonnegative matrices. [sent-148, score-0.261]
28 For this reason, we will restrict the search space to the subset of Z-matrices, that is, inversepositive matrices of the form Q = sI − B, where s is a nonnegative scalar, I is the identity matrix of appropriate dimension and B is a nonnegative matrix such that ρ(B) < s, see Section 3. [sent-200, score-0.487]
29 (7) This means that we will subtract from each column of M a nonnegative linear combination of the other columns of M in order to maximize its sparsity while keeping its nonnegativity. [sent-215, score-0.366]
30 Properties of the Preprocessing In the remainder of the paper, we denote B ∗ (M) the set of optimal solutions of problem (8) for the data matrix M, and P the preprocessing operator defined as P : Rm×n → Rm×n : M → P (M) = M(I − B∗ ), where B∗ ∈ B ∗ (M). [sent-228, score-0.216]
31 • The preprocessing operator P is invariant to permutation and scaling of the columns of M (Lemma 16). [sent-230, score-0.275]
32 • If the matrix M is separable, then the preprocessing allows to recover a sparse and optimal solution of the corresponding NMF problem (Theorem 24). [sent-234, score-0.203]
33 • If the matrix has rank-three, then the preprocessing yields an instance in which the number of solutions of the exact NMF problem is finite (Theorem 29). [sent-236, score-0.237]
34 Another important property of the preprocessing is its invariance to permutation and scaling of the columns of M. [sent-242, score-0.275]
35 Lemma 16 Let M be a nonnegative matrix and P be a monomial matrix. [sent-243, score-0.264]
36 We extend the definition to matrices with zero columns as follows: θ(X) is the matrix whose columns are the normalized non-zero columns of X, that is, letting Y be the matrix X where the non-zero columns have been removed, we define θ(X) = θ(Y ). [sent-265, score-0.497]
37 Another straightforward property is that the preprocessing can only inflate the convex hull defined by the columns of θ(M). [sent-267, score-0.265]
38 Because vertices of θ(M) are non-repeated, we have M:i ∈ conv(θ(M(:, J ))), while / P (M):i = M:i − ∑ bki M:k k=i ⇐⇒ M:i = P (M):i + ∑ bki M:k . [sent-275, score-0.295]
39 In fact, a preprocessed zero column remains zero while it cannot influence the preprocessing of the other columns (see Equation (7)). [sent-281, score-0.4]
40 We now prove that if no column of M is multiple of another column (that is, the columns of θ(M) are distinct) then ρ(B∗ ) < 1 for any B∗ ∈ B ∗ (M) whence Q = I − B∗ is an inverse positive matrix. [sent-285, score-0.2]
41 We can assume without loss of generality that the r first columns of M correspond to the vertices of conv(θ(M)). [sent-377, score-0.211]
42 1 12 3362 S PARSE AND U NIQUE NMF T HROUGH DATA P REPROCESSING In fact, by assumption, the last columns of M belong to the convex cone of the r first ones and can then be set to zero (which is optimal) using only the first r columns (cf. [sent-379, score-0.23]
43 Lemma 20 applies on matrix Q1 and M(:, 1:r) since MQ(:, 1:r) = M(:, 1:r) − M(:, 1:r)B∗ ≥ 0, 1 while by assumption no column of M(:, 1:r) belong to the convex hull of the other columns, so that Q1 is strictly diagonally dominant hence is a nonsingular M-matrix. [sent-381, score-0.26]
44 In that case, the preprocessing is unique and the preprocessed matrix has the same rank as the original one. [sent-383, score-0.445]
45 In fact, given an NMF (U,V ′ ) of the preprocessed matrix P (M) = MQ ≈ UV ′ , we can obtain the optimal factor V for matrix M by solving the nonnegative least squares problem V = argminX≥0 ||M −UX||2 (instead of taking V = V ′ Q−1 ) and obtain F M ≈ UV . [sent-385, score-0.412]
46 2 Recovery Under Separability A nonnegative matrix M is called separable if it can be written as M = UV where U ∈ Rm×r , + V ∈ Rr×n , and for each i = 1, . [sent-387, score-0.241]
47 (2012) showed that the NMF problem corresponding to a separable nonnegative matrix can be solved in polynomial time (while NMF is NP-hard in general; see Introduction). [sent-393, score-0.241]
48 In this section, we show that the preprocessing is able to solve this problem while generating a sparser solution than the one obtained with the algorithm of Arora et al. [sent-394, score-0.245]
49 Geometrically, separabilty means that the vertices of conv(θ(M)) are given by the columns of θ(U). [sent-399, score-0.211]
50 Theorem 24 shows that the preprocessing is able to identify the r columns of M = UV corresponding to the vertices of θ(M). [sent-407, score-0.342]
51 Moreover, it returns a sparser matrix S, namely P (U), whose cone contains the columns of M. [sent-408, score-0.255]
52 Corollary 25 For any rank-two nonnegative matrix M whose columns are not multiples of each other, P (M) has only two non-zero columns, say S:1 and S:2 such that conv(θ(M)) ⊆ conv(θ(S)), that is, there exists R ≥ 0 such that M = SR. [sent-410, score-0.33]
53 In other words, the preprocessing technique is optimal as it is able to identify an optimal nonnegative basis for the NMF problem corresponding to the matrix M. [sent-411, score-0.35]
54 3 Uniqueness and Robustness Through Preprocessing A potential drawback of the preprocessing is that it might increase the nonnegative rank of M. [sent-445, score-0.421]
55 1 2 Lemma 26 Let M be a nonnegative matrix such that the vertices of conv(θ(M)) are non-repeated. [sent-449, score-0.342]
56 Lemma 27 Let M be a nonnegative matrix such that the vertices of conv(θ(M)) are non-repeated, then the supremum ¯ α = sup α such that rank+ (P α (M)) = rank+ (M) (11) 0≤α≤1 is attained. [sent-454, score-0.342]
57 In fact, if M:i = 0 for some i then P α (M):i = 0 for all α ∈ [0, 1] so that the nonnegative rank of P α (M) is not affected by the zero columns of M. [sent-456, score-0.378]
58 we have P :i Finally, the result follows from the upper-semicontinuity of the nonnegative rank (Bocci et al. [sent-459, score-0.29]
59 1): ‘If P is a nonnegative matrix, without zero columns and with rank+ (P) = k, then there exists a ball B (P, ε) centered at P and of radius ε > 0 such that rank+ (N) ≥ k for all N ∈ B (P, ε)’. [sent-461, score-0.259]
60 ¯ Hence working with matrix P α (M) instead of M will reduce the number of solutions of the NMF problem while preserving the nonnegative rank: Theorem 28 Let M be a nonnegative matrix for which the vertices of conv(θ(M)) are non-repeated, ¯ ¯ let also α be defined as in Equation (11). [sent-463, score-0.598]
61 In Example 2, the vertices of M can be perturbed and, as long as they remain inside the square ¯ ¯ defined by conv(P α (M)) (see Figure 2), the exact NMF of conv(P α (M)) will provide an exact NMF for the perturbed matrix M. [sent-486, score-0.213]
62 (1989) showed that x(t1 ) can be taken as a vertex of a feasible solution of ¯ NPP(P α (M)) with k vertices if and only if fk (t1 ) = tk+1 ≥ t1 + 1, that is, we were able to turn around Q inside P in k + 1 steps (in fact, x(t1 ), x(t2 ), . [sent-509, score-0.252]
63 (1989) also showed that the function fk is continuous, non-decreasing, and depends continuously on the vertices of Q (see also Appendix A). [sent-514, score-0.196]
64 ¯ Moreover, the vertices of Q are located on the boundary of P (because α = 1) on at least two different sides of P (three vertices cannot be on the same side). [sent-526, score-0.31]
65 Intuitively, the preprocessing P α (M) of M grows the inner polytope Q as long as the corresponding NPP instance has a solution with rank+ (M) vertices. [sent-563, score-0.246]
66 In fact, checking whether the nonnegative rank of an m-by-n is equal to rank(M) can be done in polynomial time in m and n provided that the rank is fixed (Arora et al. [sent-569, score-0.409]
67 2 Normalization of the Columns of P (M) Since the aim eventually is to provide a good approximate NMF to the original data matrix M, we observed that normalizing the columns of the preprocessed matrix P (M) to match the norm of the corresponding columns of M gives better results. [sent-590, score-0.397]
68 This scaling does not change the nice properties of the preprocessing since D is a monomial matrix, hence QD still is an inverse-positive matrix. [sent-592, score-0.216]
69 This is particularly critical if there are outliers in the data set: the outliers do not look similar to the other columns of M hence their preprocessing will not reduce much their ℓ2 -norm (because they are further away from the convex cone generated by the other columns of M). [sent-601, score-0.381]
70 99 In practice, this technique also allows to obtain preprocessed matrices with more entries equal or smaller than zero. [sent-611, score-0.2]
71 When choosing the parameter ε, it is very important to check whether ρ(B∗ ) < 1 ε so that the rank of Pε (M) is equal to the rank of M and no information is lost (we can recover the original matrix M = Pε (M)(I − B∗ )−1 given Pε (M) and B∗ ). [sent-612, score-0.286]
72 As we will see, this will highlight certain localized parts of these images, essentially because the preprocessed matrices are sparser than the original ones. [sent-616, score-0.264]
73 We will then show that combining the preprocessing with standard NMF algorithms naturally leads to better part-based decompositions, because sparser matrices lead to sparser NMF solutions, see Section 2. [sent-617, score-0.36]
74 A direct comparison between NMF applied on the original matrix and NMF applied on the preprocessed matrix is not very informative in itself: while the former will feature a lower approximation error, the latter will provide a sparser part-based representation. [sent-618, score-0.311]
75 ) Notice that the preprocessed matrix may contain negative entries (when ε > 0) which is handled by A-HALS. [sent-633, score-0.199]
76 Therefore, when indicating the sparsity of the preprocessed matrix, negative entries will be counted as zeros as they lead to even sparser NMF decompositions. [sent-637, score-0.292]
77 The negative entries of the preprocessed matrix Pε (M) for ε > 0 will be counted as zeros. [sent-659, score-0.199]
78 7 Table 1 reports the sparsity and the value of ρ(B∗ ) for the preprocessed matrices with different ε values of the parameter ε. [sent-668, score-0.225]
79 90 Table 1: CBCL data set: sparsity of the preprocessed matrices Pε (M) = MQ and corresponding spectral radius of B∗ = I − Q. [sent-680, score-0.247]
80 9979 Table 3: Hubble data set: sparsity of the preprocessed matrices Pε (M) = MD and corresponding spectral radius of B∗ = I − D. [sent-794, score-0.247]
81 It is based on the preprocessing of the nonnegative data matrix M: 3379 G ILLIS given M, we compute an inverse positive matrix Q such that the preprocessed matrix P (M) = MQ remains nonnegative and is sparse. [sent-845, score-0.742]
82 We proved that the preprocessing is well-defined, invariant to permutation and scaling of the columns of matrix M, and preserves the rank of M (as long as the vertices of conv(θ(M)) are non repeated). [sent-847, score-0.565]
83 In particular, we were able to show that • Under the separability assumption of Donoho and Stodden (2003), the preprocessing is optimal as it identifies the vertices of the convex hull of the columns of M. [sent-849, score-0.41]
84 • Since any rank-two matrix satisfies the separability assumption, the preprocessing is optimal for any nonnegative rank-two matrix. [sent-850, score-0.372]
85 Moreover, it generates sparser preprocessed matrices hence sparser NMF solutions. [sent-854, score-0.374]
86 12 Another possibility would be to use the following heuristic: since the preprocessing removes from each column of M a linear combinations of the other columns, one could use only a subset of k columns of M to be subtracted from the other columns of M. [sent-863, score-0.363]
87 3380 S PARSE AND U NIQUE NMF T HROUGH DATA P REPROCESSING ple, the matrix13 0 1 1 M= 1 0 1 1 1 0 would not be modified by our preprocessing (because each column contains a zero entry corresponding to positive ones in all other columns) although its NMF is not unique (cf. [sent-873, score-0.228]
88 This example shows that working with a larger set of inverse positive matrices would allow to obtain sparser preprocessed data matrices, hence more well-posed NMF problems with sparser solutions. [sent-876, score-0.374]
89 These points correspond to the vertices of P (P has at most m vertices since it is a polygon defined with m inequalities); or, 13. [sent-899, score-0.306]
90 These points where the description of fk changes (and where fk is not continuously differentiable) are called the contact change points. [sent-903, score-0.197]
91 Low-dimensional polytope approximation and its applications to nonnegative matrix factorization. [sent-997, score-0.31]
92 On the equivalence of nonnegative matrix factorization and spectral clustering. [sent-1021, score-0.297]
93 Accelerated multiplicative updates and hierarchical ALS algorithms for nonnegative matrix factorization. [sent-1069, score-0.219]
94 Fast and robust recursive algorithms for separable nonnegative matrix factorization. [sent-1075, score-0.241]
95 Minimum dispersion constrained nonnegative matrix factorization to unmix hyperspectral data. [sent-1092, score-0.322]
96 Learning the parts of objects by nonnegative matrix factorization. [sent-1129, score-0.219]
97 Endmember extraction from highly mixed data using minimum volume constrained nonnegative matrix factorization. [sent-1134, score-0.219]
98 Two algorithms for orthogonal nonnegative matrix factorization with application to clustering. [sent-1163, score-0.275]
99 Guaranteed minimum rank solutions to linear matrix equations via nuclear norm minimization. [sent-1172, score-0.204]
100 Minimum-volume-constrained nonnegative matrix factorization: Enhanced ability of learning parts. [sent-1228, score-0.219]
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