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192 nips-2007-Testing for Homogeneity with Kernel Fisher Discriminant Analysis


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Author: Moulines Eric, Francis R. Bach, Zaïd Harchaoui

Abstract: We propose to investigate test statistics for testing homogeneity based on kernel Fisher discriminant analysis. Asymptotic null distributions under null hypothesis are derived, and consistency against fixed alternatives is assessed. Finally, experimental evidence of the performance of the proposed approach on both artificial and real datasets is provided. 1

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sentIndex sentText sentNum sentScore

1 Testing for Homogeneity with Kernel Fisher Discriminant Analysis Za¨d Harchaoui ı LTCI, TELECOM ParisTech and CNRS 46, rue Barrault, 75634 Paris cedex 13, France zaid. [sent-1, score-0.141]

2 org ´ Eric Moulines LTCI, TELECOM ParisTech and CNRS 46, rue Barrault, 75634 Paris cedex 13, France eric. [sent-5, score-0.141]

3 fr Abstract We propose to investigate test statistics for testing homogeneity based on kernel Fisher discriminant analysis. [sent-7, score-0.707]

4 Asymptotic null distributions under null hypothesis are derived, and consistency against fixed alternatives is assessed. [sent-8, score-0.786]

5 1 Introduction An important problem in statistics and machine learning consists in testing whether the distributions of two random variables are identical under the alternative that they may differ in some ways. [sent-10, score-0.162]

6 The problem consists in testing the null hypothesis H0 : P1 = P2 against the alternative HA : P1 = P2 . [sent-18, score-0.475]

7 We shall allow the input space X to be quite general, including for example finite-dimensional Euclidean spaces or more sophisticated structures such as strings or graphs (see [17]) arising in applications such as bioinformatics [4]. [sent-20, score-0.208]

8 The most popular procedures are the two-sample Kolmogorov-Smirnov tests or the Cramer-Von Mises tests, that have been the standard for addressing these issues (at least when the dimension of the input space is small, and most often when X = R). [sent-22, score-0.099]

9 Although these tests are popular due to their simplicity, they are known to be insensitive to certain characteristics of the distribution, such as densities containing highfrequency components or local features such as bumps. [sent-23, score-0.145]

10 The low-power of the traditional density based statistics can be improved on using test statistics based on kernel density estimators [2] and [1] and wavelet estimators [6]. [sent-24, score-0.468]

11 Recent work [11] has shown that one could difference in means in RKHSs in order to consistently test for homogeneity. [sent-25, score-0.088]

12 In this paper, we show that taking into account the covariance structure in the RKHS allows to obtain simple limiting distributions. [sent-26, score-0.144]

13 The paper is organized as follows: in Section 2 and Section 3, we state the main definitions and we construct the test statistics. [sent-27, score-0.088]

14 In Section 4, we give the asymptotic distribution of our test statistic under the null hypothesis, and investigate, the consistency and the power of the test for fixed alternatives. [sent-28, score-0.911]

15 In 1 Section 5 we provide experimental evidence of the performance of our test statistic on both artificial and real datasets. [sent-29, score-0.273]

16 2 Mean and covariance in reproducing kernel Hilbert spaces We first highlight the main assumptions we make in the paper on the reproducing kernel, then introduce operator-theoretic tools for working with distributions in infinite-dimensional spaces. [sent-31, score-0.562]

17 1 Reproducing kernel Hilbert spaces Let (X, d) be a separable metric space, and denote by X the associated σ-algebra. [sent-33, score-0.276]

18 The Hilbert space H is an RKHS if at each x ∈ X, the point evaluation operator δx : H → R, which maps f ∈ H to f (x) ∈ R, is a bounded linear functional. [sent-36, score-0.209]

19 Note that this is always the case if X is a separable metric space and if the kernel is continuous (see [18]). [sent-40, score-0.228]

20 Throughout this paper, we make the following two assumptions on the kernel: (A1) The kernel k is bounded, that is |k|∞ = sup(x,y)∈X×X k(x, y) < ∞. [sent-41, score-0.178]

21 The asymptotic normality of our test statistics is valid without assumption (A2), while consistency results against fixed alternatives does need (A2). [sent-43, score-0.532]

22 Assumption (A2) is true for translation-invariant kernels [8], and in particular for the Gaussian kernel on Rd [18]. [sent-44, score-0.178]

23 2 Mean element and covariance operator We shall need some operator-theoretic tools to define mean elements and covariance operators in RKHS. [sent-46, score-0.728]

24 A linear operator T is said to be bounded if there is a number C such that T f H ≤ C f H for all f ∈ H. [sent-47, score-0.241]

25 If k 1/2 (x, x)P(dx) < ∞, the mean element µP is defined for all functions f ∈ H as the unique element in H satisfying, µP , f def H = Pf = f dP . [sent-50, score-0.426]

26 (1) If furthermore k(x, x)P(dx) < ∞, then the covariance operator ΣP is defined as the unique linear operator onto H satisfying for all f, g ∈ H, f, ΣP g def H = (f − Pf )(g − Pg)dP . [sent-51, score-0.866]

27 The operator ΣP is a self-adjoint nonnegative trace-class operator. [sent-53, score-0.242]

28 , Xn }, the empirical estimates respectively of the mean element and the covariance operator are then defined using empirical moments and lead to: n µ = n−1 ˆ i=1 n k(Xi , ·) , ˆ Σ = n−1 i=1 2 k(Xi , ·) ⊗ k(Xi , ·) − µ ⊗ µ . [sent-58, score-0.591]

29 ˆ ˆ (3) The operator Σ is a self-adjoint nonnegative trace-class operators. [sent-59, score-0.242]

30 Hence, it can de diagonalized in an orthonormal basis, with a spectrum composed of a strictly decreasing sequence λp > 0 tending to zero and potentially a null space N (Σ) composed of functions f in H such that {f − Pf }2 dP = 0 [5], i. [sent-60, score-0.397]

31 The null space may be reduced to the null element (in particular for the Gaussian kernel), or may be infinite-dimensional. [sent-63, score-0.563]

32 Similarly, there may be infinitely many strictly positive eigenvalues (true nonparametric case) or finitely many (underlying finite dimensional problems). [sent-64, score-0.231]

33 3 KFDA-based test statistic In the feature space, the two-sample homogeneity test procedure can be formulated as follows. [sent-65, score-0.558]

34 Denote by ΣW = (n1 /n)Σ1 +(n2 /n)Σ2 the pooled covariance operator, where def n = n1 + n2 , corresponding to the within-class covariance matrix in the finite-dimensional setting def (see [14]. [sent-74, score-0.949]

35 Let us denote ΣB = (n1 n2 /n2 )(µ2 −µ1 )⊗(µ2 −µ1 ) the between-class covariance operator. [sent-75, score-0.144]

36 For a = 1, 2, denote by (ˆa , Σa ) respectively the empirical estimates of the mean element and µ ˆ ˆ def ˆ ˆ the covariance operator, defined as previously stated in (3). [sent-76, score-0.595]

37 Denote ΣW = (n1 /n)Σ1 + (n2 /n)Σ2 ˆ def the empirical pooled covariance estimator, and ΣB = (n1 n2 /n2 )(ˆ2 − µ1 ) ⊗ (ˆ2 − µ1 ) the emµ ˆ µ ˆ pirical between-class covariance operator. [sent-77, score-0.679]

38 Let {γn }n≥0 be a sequence of strictly positive numbers. [sent-78, score-0.111]

39 The maximum Fisher discriminant ratio serves as a basis of our test statistics: ˆ f, ΣB f 2 1 n1 n2 H ˆ ˆ n max (ΣW + γn I)− 2 δ = , (4) f ∈H n H ˆ f, (ΣW + γn I)f H where I denotes the identity operator. [sent-79, score-0.202]

40 X = Rd , the kernel is linear k(x, y) = x⊤ y and γn = 0, this quantity matches the so-called Hotelling’s T 2 statistic in the two-sample case [15]. [sent-82, score-0.363]

41 Moreover, in practice it may be computed thanks to the kernel trick, adapted to the kernel Fisher discriminant analysis and outlined in [17, Chapter 6]. [sent-83, score-0.47]

42 We shall make the following assumptions respectively on Σ1 and Σ2 (B1) For u = 1, 2, the eigenvalues {λp (Σu )}p≥1 satisfy ∞ p=1 1/2 λp (Σu ) < ∞. [sent-84, score-0.24]

43 (B2) For u = 1, 2, there are infinitely many strictly positive eigenvalues {λp (Σu )}p≥1 of Σu . [sent-85, score-0.168]

44 These roles, recentering and rescaling, will be played respectively by d1 (ΣW , γ) and d2 (ΣW , γ), where for a given compact operator Σ with decreasing eigenvalues λp (S), the quantity dr (Σ, γ) is defined for all q ≥ 1 as def 1/r ∞ dr (Σ, γ) = (λp + γ)−r λr p . [sent-87, score-0.755]

45 (5) p=1 4 Theoretical results We consider in the sequel the following studentized test statistic: Tn (γn ) = n1 n2 n 2 ˆ − d1 (ΣW , γn ) ˆ ˆ (ΣW + γn I)−1/2 δ H . [sent-88, score-0.128]

46 √ ˆ 2d2 (ΣW , γn ) 3 (6) In this paper, we first consider the asymptotic behavior of Tn under the null hypothesis, and then against a fixed alternative. [sent-89, score-0.396]

47 This will establish that our nonparametric test procedure is consistent in power. [sent-90, score-0.216]

48 1 Asymptotic normality under null hypothesis In this section, we derive the distribution of the test statistics under the null hypothesis H0 : P1 = P2 of homogeneity, i. [sent-92, score-1.096]

49 Under the assumptions of Theorem 1, the sequence of tests that ˆ rejects the null hypothesis when Tn (γn ) ≥ z1−α , where z1−α is the (1 − α)-quantile of the standard normal distribution, is asymptotically level α. [sent-98, score-0.581]

50 Note that the limiting distribution does not depend on the kernel nor on the regularization parameter. [sent-99, score-0.178]

51 2 Power consistency We study the power of the test based on Tn (γn ) under alternative hypotheses. [sent-101, score-0.242]

52 The minimal requirement is to to prove that this sequence of tests is consistent in power. [sent-102, score-0.181]

53 A sequence of tests of constant level α is said to be consistent in power if the probability of accepting the null hypothesis of homogeneity goes to zero as the sample size goes to infinity under a fixed alternative. [sent-103, score-0.986]

54 The following proposition shows that the limit is finite, strictly positive and independent of the kernel otherwise (see [8] for similar results for canonical correlation analysis). [sent-104, score-0.294]

55 the population counterpart of (ΣW + γn I)−1/2 δ H H which our test statistics is based upon. [sent-107, score-0.147]

56 5 (8) Experiments In this section, we investigate the experimental performances of our test statistic KFDA, and compare it in terms of power against other nonparametric test statistics. [sent-121, score-0.518]

57 1 Artificial data We shall focus here on a particularly simple setting, in order analyze the major issues arising in applying our approach in practice. [sent-123, score-0.126]

58 Indeed, we consider the periodic smoothing spline kernel (see 4 γ= KFDA MMD 10−1 0. [sent-124, score-0.297]

59 Table 1: Evolution of power of KFDA and MMD respectively, as γ goes to 0. [sent-137, score-0.135]

60 [19] for a detailed derivation), for which explicit formulae are available for the eigenvalues of the corresponding covariance operator when the underlying distribution is uniform. [sent-138, score-0.449]

61 This allows us to alleviate the issue of estimating the spectrum of the covariance operator, and weigh up the practical impact of the regularization on the power of our test statistic. [sent-139, score-0.361]

62 Periodic smoothing spline kernel Consider X as the two-dimensional circle identified with the interval [0, 1] (with periodicity conditions). [sent-140, score-0.252]

63 We consider the strictly positive sequence Kν = (2πν)−2m and the following norm: f, c0 2 f, cν 2 + f, sν 2 f 2 = + H K0 Kν ν>0 √ √ where cν (t) = 2 cos 2πνt and sν (t) = 2 sin 2πνt for ν ≥ 1 and c0 (t) = 1X . [sent-141, score-0.111]

64 This is always an RKHS norm associated with the following kernel (−1)m−1 K(s, t) = B2m ((s − t) − ⌊s − t⌋) (2m)! [sent-142, score-0.178]

65 We consider the following testing problem H0 : p1 = p2 HA : p2 = p2 with p1 the uniform density (i. [sent-145, score-0.113]

66 , the density with respect to the Lebesgue measure is equal to c0 ), and densities p2 = p1 (c0 + . [sent-147, score-0.088]

67 The covariance operator Σ(p1 ) has eigenvectors c0 , cν , sν with eigenvalues 0 for c0 and Kν for others. [sent-149, score-0.449]

68 All quantities involving the eigenvalues of the covariance operator were computed from their counterparts instead of being estimated. [sent-152, score-0.449]

69 2 Speaker verification We conducted experiments in a speaker verification task [3], on a subset of 8 female speakers using data from the NIST 2004 Speaker Recognition Evaluation. [sent-156, score-0.265]

70 For each couple of speaker, at each run we took 3000 samples of each speaker and launched our KFDA-test to decide whether samples come from the same speaker or not, and computed the type II error by comparing the prediction to ground truth. [sent-159, score-0.525]

71 05, since the empirical level seemed to match the prescribed for this value of the level as we noticed in previous subsection. [sent-162, score-0.162]

72 We performed the same experiments for the Maximum Mean Discrepancy and the Tajvidi-Hall test statistic (TH, [13]). [sent-163, score-0.273]

73 Our method reaches good empirical power for a small value of the prescribed level (1 − β = 90% for α = 0. [sent-165, score-0.217]

74 6 Conclusion We proposed a well-calibrated test statistic, built on kernel Fisher discriminant analysis, for which we proved that the asymptotic limit distribution under null hypothesis is standard normal distribution. [sent-168, score-0.973]

75 Our test statistic can be readily computed from Gram matrices once a kernel is defined, and 5 ROC Curve 1 Power 0. [sent-169, score-0.451]

76 5 Level Figure 1: Comparison of ROC curves in a speaker verification task allows us to perform nonparametric hypothesis testing for homogeneity for high-dimensional data. [sent-178, score-0.71]

77 The KFDA-test statistic yields competitive performance for speaker identification. [sent-179, score-0.411]

78 7 Sketch of proof of asymptotic normality under null hypothesis Outline. [sent-180, score-0.743]

79 The proof of the asymptotic normality of the test statistics under null hypothesis follows four steps. [sent-181, score-0.89]

80 As a first step, we derive an asymptotic approximation of the test statistics as γn + −1 ˆ γn n−1/2 → 0 , where the only remaining stochastic term is δ. [sent-182, score-0.292]

81 The test statistics is then spanned onto the eigenbasis of Σ, and decomposed into two terms Bn and Cn . [sent-183, score-0.147]

82 The second step allows to prove the asymptotic negligibility of Bn , while the third step establishes the asymptotic normality of Cn by a martingale central limit theorem (MCLT). [sent-184, score-0.727]

83 First, we may prove, using perturbation results of covariance −1 operators, that, as γn + γn n−1/2 → 0 , we have −1/2 ˆ (n1 n2 /n) (Σ + γI) δ √ Tn (γn ) = 2d2 (Σ, γ) 2 H − d1 (Σ, γ) + oP (1) . [sent-186, score-0.144]

84 (9) For ease of notation, in the following, we shall often omit Σ in quantities involving it. [sent-187, score-0.092]

85 Define   n2 1/2 (1) (1)  ep (Xi ) − E[ep (X1 )] 1 ≤ i ≤ n1 , def n1 n Yn,p,i = (10) 1/2  (2) (2) − n1 ep (Xi−n1 ) − E[ep (X1 )] n1 + 1 ≤ i ≤ n . [sent-189, score-0.43]

86 p q def Denote Sn,p = with def An = n1 n2 n (12) √ n −1 ˜ An i=1 Yn,p,i . [sent-192, score-0.608]

87 (11), our test statistics now writes as Tn = ( 2d2,n ) ˆ (Σ + γn I)−1/2 δ 2 ∞ − d1,n = (λp + γn ) p=1 −1 2 2 Sn,p − ESn,p = Bn + 2Cn . [sent-194, score-0.147]

88 (13) 6 where Bn and Cn are defined as follows ∞ def n 2 2 Yn,p,i − EYn,p,i Bn = p=1 i=1 ∞ def , n Cn = (λp + γn ) −1 p=1 Yn,p,i i=1 (14)   i−1  Yn,p,j j=1    . [sent-195, score-0.608]

89 Since the variables n Yn,p,i and Yn,q,j are independent if i = j, then Var(Bn ) = i=1 vn,i , where ∞ def vn,i = Var p=1 2 2 (λp + γn )−1 {Yn,p,i − E[Yn,p,i ]} ∞ 2 2 (λp + γn )−1 (λq + γn )−1 Cov(Yn,p,i , Yn,q,i ) . [sent-198, score-0.304]

90 We use the central limit theorem (MCLT) for triangular arrays of 2,n martingale differences (see e. [sent-202, score-0.182]

91 , n, denote def ξn,i = ∞ d−1 2,n −1 (λp + γn ) Yn,p,i Mn,p,i−1 , where def i Mn,p,i = p=1 Yn,p,j , (16) j=1 and let Fn,i = σ (Yn,p,j , p ∈ {1, . [sent-209, score-0.608]

92 Note that, by construction, ξn,i is a martingale increment, i. [sent-216, score-0.099]

93 The first step in the proof of the CLT is to establish that n P s2 = n i=1 2 E ξn,i Fn,i−1 −→ 1/2 . [sent-219, score-0.118]

94 (17) The second step of the proof is to establish the negligibility condition. [sent-220, score-0.189]

95 We will establish the two conditions simultaneously by checking that 2 max ξn,i E = o(1) . [sent-223, score-0.104]

96 Two-sample test statistics for measuring discrepancies between two multivariate probability density functions using kernel-based density estimates. [sent-253, score-0.231]

97 Integrating structured o biological data by kernel maximum mean discrepancy. [sent-278, score-0.178]

98 Permutation tests for equality of distributions in high-dimensional settings. [sent-334, score-0.131]

99 Feature space mahalanobis sequence kernels: Application to svm speaker verification. [sent-353, score-0.265]

100 An explicit description of the reproducing kernel hilbert spaces of gaussian RBF kernels. [sent-366, score-0.396]


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