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164 nips-2012-Iterative Thresholding Algorithm for Sparse Inverse Covariance Estimation


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Author: Benjamin Rolfs, Bala Rajaratnam, Dominique Guillot, Ian Wong, Arian Maleki

Abstract: The 1 -regularized maximum likelihood estimation problem has recently become a topic of great interest within the machine learning, statistics, and optimization communities as a method for producing sparse inverse covariance estimators. In this paper, a proximal gradient method (G-ISTA) for performing 1 -regularized covariance matrix estimation is presented. Although numerous algorithms have been proposed for solving this problem, this simple proximal gradient method is found to have attractive theoretical and numerical properties. G-ISTA has a linear rate of convergence, resulting in an O(log ε) iteration complexity to reach a tolerance of ε. This paper gives eigenvalue bounds for the G-ISTA iterates, providing a closed-form linear convergence rate. The rate is shown to be closely related to the condition number of the optimal point. Numerical convergence results and timing comparisons for the proposed method are presented. G-ISTA is shown to perform very well, especially when the optimal point is well-conditioned. 1

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Summary: the most important sentenses genereted by tfidf model

sentIndex sentText sentNum sentScore

1 edu Abstract The 1 -regularized maximum likelihood estimation problem has recently become a topic of great interest within the machine learning, statistics, and optimization communities as a method for producing sparse inverse covariance estimators. [sent-12, score-0.545]

2 In this paper, a proximal gradient method (G-ISTA) for performing 1 -regularized covariance matrix estimation is presented. [sent-13, score-0.547]

3 Although numerous algorithms have been proposed for solving this problem, this simple proximal gradient method is found to have attractive theoretical and numerical properties. [sent-14, score-0.36]

4 G-ISTA has a linear rate of convergence, resulting in an O(log ε) iteration complexity to reach a tolerance of ε. [sent-15, score-0.181]

5 This paper gives eigenvalue bounds for the G-ISTA iterates, providing a closed-form linear convergence rate. [sent-16, score-0.139]

6 Numerical convergence results and timing comparisons for the proposed method are presented. [sent-18, score-0.214]

7 A fundamental example is the problem of estimating the covariance matrix from a dataset of n samples {X (i) }n , drawn i. [sent-21, score-0.302]

8 d from a pi=1 dimensional, zero-mean, Gaussian distribution with covariance matrix Σ ∈ Sp , X (i) ∼ Np (0, Σ), ++ where Sp denotes the space of p × p symmetric, positive definite matrices. [sent-23, score-0.302]

9 When n ≥ p the maxi++ T n 1 ˆ mum likelihood covariance estimator Σ is the sample covariance matrix S = n i=1 X (i) X (i) . [sent-24, score-0.541]

10 In this sample deficient case, common throughout several modern applications such as genomics, finance, and earth sciences, the matrix S is not invertible, and thus cannot be directly used to obtain a well-defined estimator for the inverse covariance matrix Ω := Σ−1 . [sent-26, score-0.559]

11 A related problem is the inference of a Gaussian graphical model ([27, 14]), that is, a sparsity pattern in the inverse covariance matrix, Ω. [sent-27, score-0.534]

12 Gaussian graphical models provide a powerful means of dimensionality reduction in high-dimensional data. [sent-28, score-0.09]

13 Moreover, such models allow for discovery of conditional independence relations between random variables since, for multivariate Gaussian data, sparsity in the inverse covariance matrix encodes conditional independences. [sent-29, score-0.507]

14 If a dataset, even one with n p is drawn from a normal distribution with sparse inverse covariance matrix Ω, the inverse sample covariance matrix S −1 will almost surely be a dense matrix, although the estimates for those Ωij which are equal to 0 may be very small in magnitude. [sent-31, score-1.013]

15 As sparse estimates of Ω are more robust than S −1 , and since such sparsity may yield easily interpretable models, there exists significant impetus to perform sparse inverse covariance estimation in very high dimensional low sample size settings. [sent-32, score-0.794]

16 [1] proposed performing such sparse inverse covariance estimation by solving the 1 -penalized maximum likelihood estimation problem, Θ∗ = arg min − log det Θ + S, Θ + ρ Θ ρ p Θ∈S++ 1 , (1) where ρ > 0 is a penalty parameter, S, Θ = Tr (SΘ), and Θ 1 = i,j |Θij |. [sent-34, score-0.861]

17 For ρ > 0, Problem (1) is strongly convex and hence has a unique solution, which lies in the positive definite cone Sp due to the log det term, and is hence invertible. [sent-35, score-0.241]

18 Moreover, the 1 penalty induces sparsity ++ in Θ∗ , as it is the closest convex relaxation of the 0 − 1 penalty, Θ 0 = i,j I(Θij = 0), where ρ I(·) is the indicator function [5]. [sent-36, score-0.163]

19 The unique optimal point of problem (1), Θ∗ , is both invertible ρ (for ρ > 0) and sparse (for sufficiently large ρ), and can be used as an inverse covariance matrix estimator. [sent-37, score-0.606]

20 In this paper, a proximal gradient method for solving Problem (1) is proposed. [sent-38, score-0.252]

21 The convergence rate s is provided explicitly in terms of S and ρ, and importantly, is related to the condition number of Θ∗ . [sent-40, score-0.156]

22 Section 4 contains the convergence proofs of this algorithm, which constitutes the primary mathematical result of this paper. [sent-44, score-0.103]

23 2 Prior Work While several excellent general convex solvers exist (for example, [11] and [4]), these are not always adept at handling high dimensional problems (i. [sent-46, score-0.132]

24 As many modern datasets have several thousands of variables, numerous authors have proposed efficient algorithms designed specifically to solve the 1 -penalized sparse maximum likelihood covariance estimation problem (1). [sent-49, score-0.545]

25 These can be broadly categorized as either primal or dual methods. [sent-50, score-0.289]

26 Following the literature, we refer to primal methods as those which directly solve Problem (1), yielding a concentration estimate. [sent-51, score-0.224]

27 Dual methods [1] yield a covariance matrix by solving the constrained problem, minimize U ∈Rp×p subject to − log det(S + U ) − p U ∞ ≤ ρ, (3) where the primal and dual variables are related by Θ = (S + U )−1 . [sent-52, score-0.682]

28 Both the primal and dual problems can be solved using block methods (also known as “row by row” methods), which sequentially optimize one row/column of the argument at each step until convergence. [sent-53, score-0.407]

29 The primal and dual block problems both reduce to 1 -penalized regressions, which can be solved very efficiently. [sent-54, score-0.354]

30 1 Dual Methods A number of dual methods for solving Problem (1) have been proposed in the literature. [sent-56, score-0.16]

31 [1] consider a block coordinate descent algorithm to solve the block dual problem, which reduces each optimization step to solving a box-constrained quadratic program. [sent-58, score-0.424]

32 [10] iteratively solve the lasso regression as described in [1], but do so using coordinate-wise descent. [sent-61, score-0.116]

33 Their widely used solver, known as the graphical lasso (glasso) is implemented on CRAN. [sent-62, score-0.168]

34 Global convergence rates of these block coordinate methods are unknown. [sent-63, score-0.216]

35 2 Primal Methods Interest in primal methods for solving Problem (1) has been growing for many reasons. [sent-68, score-0.243]

36 One important reason stems from the fact that convergence within a certain tolerance for the dual problem does not necessarily imply convergence within the same tolerance for the primal. [sent-69, score-0.481]

37 [24] proposes a similar method and show a sublinear convergence rate. [sent-72, score-0.145]

38 Mazumder and Hastie [18] consider block-coordinate descent approaches for the primal problem, similar to the dual approach taken in [10]. [sent-73, score-0.289]

39 Mazumder and Agarwal [17] also solve the primal problem with block-coordinate descent, but at each iteration perform a partial as opposed to complete block optimization, resulting in a decreased computational complexity per iteration. [sent-74, score-0.331]

40 Convergence rates of these primal methods have not been considered in the literature and hence theoretical guarantees are not available. [sent-75, score-0.234]

41 [13] propose a second-order proximal point algorithm, called QUIC, which converges superlinearly locally around the optimum. [sent-77, score-0.137]

42 3 Methodology In this section, the graphical iterative shrinkage thresholding algorithm (G-ISTA) for solving the primal problem (1) is presented. [sent-78, score-0.631]

43 A rich body of mathematical and numerical work exists for general iterative shrinkage thresholding and related methods; see, in particular, [3, 8, 19, 20, 21, 25]. [sent-79, score-0.373]

44 The above characterization suggests a method for optimizing problem (4) based on the iteration xt+1 = proxζt g (xt − ζt f (xt )) (8) for some choice of step size, ζt . [sent-85, score-0.095]

45 This simple method is referred to as an iterative shrinkage thresh1 olding algorithm (ISTA). [sent-86, score-0.198]

46 For a step size ζt ≤ L , the ISTA iterates xt are known to satisfy F (xt ) − F (x∗ ) O 1 t , ∀t, (9) where x∗ is some optimal point, which is to say, they converge to the space of optimal points at a sublinear rate. [sent-87, score-0.34]

47 If no Lipschitz constant L for f is known, the same convergence result still holds for ζt chosen such that f (xt+1 ) ≤ Qζt (xt+1 , xt ), (10) where Qζ (·, ·) : X × X → R is a quadratic approximation to f , defined by Qζ (x, y) = f (y) + x − y, f (y) + 1 x−y 2ζ 2 . [sent-88, score-0.213]

48 1 can be adapted to the sparse inverse covariance estimation Problem (1). [sent-92, score-0.545]

49 Moreover, by Lemma ++ 2 of the supplemental section, f has a Lipschitz continuous gradient when restricted to the compact domain aI Θ bI. [sent-99, score-0.155]

50 As in [3], the algorithm uses a backtracking line search for the choice of step size. [sent-105, score-0.101]

51 The procedure terminates when a prespecified duality gap is attained. [sent-106, score-0.107]

52 Note also that the positive definite check of Θt+1 during Step (1) of Algorithm 1 is accomplished using a Cholesky decomposition, and the inverse of Θt+1 is computed using that Cholesky factor. [sent-108, score-0.153]

53 Algorithm 1: G-ISTA for Problem (1) input : Sample covariance matrix S, penalty parameter ρ, tolerance ε, backtracking constant c ∈ (0, 1), initial step size ζ1,0 , initial iterate Θ0 . [sent-109, score-0.632]

54 (4) Compute duality gap: ∆ = − log det(S + Ut+1 ) − p − log det Θt+1 + S, Θ + ρ Θt+1 1 , where (Ut+1 )i,j = min{max{([Θ−1 ]i,j − Si,j ), −ρ}, ρ}. [sent-119, score-0.199]

55 1 Choice of initial step size, ζ0 Each iteration of Algorithm 1 requires an initial step size, ζ0 . [sent-123, score-0.218]

56 However, in practice this choice of step is overly cautious; a much larger step can often be taken. [sent-125, score-0.106]

57 If a certain number of maximum backtracks do not result in an accepted step, G-ISTA takes the safe step, λmin (Θt )2 . [sent-128, score-0.086]

58 Such a safe step can be obtained from λmax (Θ−1 ), which in turn can be quickly apt proximated using power iteration. [sent-129, score-0.1]

59 4 Convergence Analysis In this section, linear convergence of Algorithm 1 is discussed. [sent-130, score-0.103]

60 ) denote the iterates of Algorithm 1, and Θ∗ the optimal solution to Problem (1) for ρ > 0. [sent-134, score-0.135]

61 Assume that the iterates Θt of Algorithm 1 satisfy aI constants 0 < a < b. [sent-137, score-0.219]

62 The step size ζt which yields an optimal worst-case contraction bound s(ζt ) is ζ = 2 a−2 +b−2 . [sent-140, score-0.157]

63 The optimal worst-case contraction bound corresponding to ζ = s(ζ) : = 1 − 5 2 b2 1 + a2 2 a−2 +b−2 is given by Proof. [sent-142, score-0.104]

64 Note that linear convergence of proximal gradient methods for strongly convex objective functions in general has already been proven (see Supplemental section). [sent-144, score-0.37]

65 However, it is possible to specify the constants a and b to yield an explicit rate; this is done in Theorem 2. [sent-147, score-0.075]

66 Then√ iterates the Θt of Algorithm 1 satisfy αI Θt b I, ∀t, with b = Θ∗ 2 + Θ0 − Θ∗ F ≤ β + p(β + α). [sent-150, score-0.178]

67 These eigenvalue bounds on Θt+1 , along with Theorem 1, provide a closed form linear convergence rate for Algorithm 1. [sent-154, score-0.192]

68 Then for a constant step size ζt := ζ < α2 , the iterates of Algorithm 1 converge linearly with a rate of s(ζ) = 1 − 2α2 <1 √ α2 + (β + p(β − α))2 (18) Proof. [sent-158, score-0.241]

69 By Theorem 2, for ζ < α2 , the iterates Θt satisfy αI Θ∗ ρ Θt 2 + Θ0 − Θ∗ ρ F I for all t. [sent-159, score-0.178]

70 Note that the contraction constant (equation 18) of Theorem 3 is closely related to the condition number of Θ∗ , ρ λmax (Θ∗ ) β ρ κ(Θ∗ ) = ≤ ρ λmin (Θ∗ ) α ρ as 1− α2 2α2 2α2 ≥1− 2 ≥ 1 − 2κ(Θ∗ )−2 . [sent-163, score-0.104]

71 ρ 5 Numerical Results In this section, we provide numerical results for the G-ISTA algorithm. [sent-165, score-0.075]

72 3 compares running times of the G-ISTA, glasso [10], and QUIC [13] algorithms. [sent-169, score-0.224]

73 For a fixed p, a p dimensional inverse covariance matrix Ω was generated with off-diagonal entries drawn i. [sent-174, score-0.515]

74 85 to simulate a very sparse and a somewhat sparse model). [sent-179, score-0.206]

75 Finally, a multiple of the identity was added to the resulting matrix so that the smallest eigenvalue was equal to 1. [sent-180, score-0.132]

76 13/4 Table 1: Timing comparisons for p = 2000 dimensional datasets, generated as in Section 5. [sent-273, score-0.116]

77 2 Demonstration of Convergence Rates The linear convergence rate derived for G-ISTA in Section 4 was shown to be heavily dependent on the conditioning of the final estimator. [sent-277, score-0.19]

78 To demonstrate these results, G-ISTA was run on a synthetic dataset, as described in Section 5. [sent-278, score-0.078]

79 For each value of ρ, the numerical optimum was computed to a duality gap of 10−10 using G-ISTA. [sent-287, score-0.182]

80 G-ISTA was then run again, and the Frobenius norm argument errors at each iteration were stored. [sent-294, score-0.076]

81 These errors were plotted on a log scale for each value of ρ to demonstrate the dependence of the convergence rate on condition number. [sent-295, score-0.156]

82 3 Timing Comparisons The G-ISTA, glasso, and QUIC algorithms were run on synthetic datasets (real datasets are presented in the Supplemental section) of varying p, n and with different levels of regularization, ρ. [sent-298, score-0.16]

83 All algorithms were run to ensure a fixed duality gap, here taken to be 10−5 . [sent-299, score-0.098]

84 The comparisons were run on a multicore processor, and it is important to note that the Cholesky decompositions and 7 ρ = 0. [sent-308, score-0.09]

85 iteration number t, demonstrating linear convergence ρ rates of G-ISTA, and dependence of those rates on κ(Θ∗ ). [sent-319, score-0.241]

86 On the other hand, the p2 dimensional lasso solve of QUIC and p-dimensional lasso solve of glasso do not. [sent-321, score-0.516]

87 For this reason, and because Cholesky factorizations and inversions make up the bulk of the computation required by G-ISTA, the CPU time of G-ISTA was typically greater than its wall time by a factor of roughly 4. [sent-322, score-0.115]

88 6 Conclusion In this paper, a proximal gradient method was applied to the sparse inverse covariance problem. [sent-324, score-0.69]

89 Linear convergence was discussed, with a fixed closed-form rate. [sent-325, score-0.103]

90 Numerical results have also been presented, comparing G-ISTA to the widely-used glasso algorithm and the newer, but very fast, QUIC algorithm. [sent-326, score-0.224]

91 To conclude, although second-order methods for the sparse inverse covariance method have recently been shown to perform well, simple first-order methods cannot be ruled out, as they can also be very competitive in many cases. [sent-333, score-0.495]

92 Model selection through sparse maximum likelihood estimation for multivarate gaussian or binary data. [sent-338, score-0.153]

93 A fast iterative shrinkage-thresholding algorithm for linear inverse problems. [sent-345, score-0.241]

94 Templates for convex cone problems with applications to sparse signal recovery. [sent-353, score-0.209]

95 Adaptive first-order methods for general sparse inverse covariance selection. [sent-425, score-0.495]

96 A flexible, scalable and efficient algorithmic framework for the Primal graphical lasso. [sent-429, score-0.09]

97 A method of solving a convex programming problem with convergence rate O(1/k2 ). [sent-435, score-0.285]

98 A note on the lack of symmetry in the graphical lasso. [sent-455, score-0.09]

99 Model selection and estimation in the gaussian graphical model. [sent-486, score-0.14]

100 Alternating direction method of multipliers for covariance selection models. [sent-491, score-0.239]


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