nips nips2008 nips2008-216 knowledge-graph by maker-knowledge-mining

216 nips-2008-Sparse probabilistic projections


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Author: Cédric Archambeau, Francis R. Bach

Abstract: We present a generative model for performing sparse probabilistic projections, which includes sparse principal component analysis and sparse canonical correlation analysis as special cases. Sparsity is enforced by means of automatic relevance determination or by imposing appropriate prior distributions, such as generalised hyperbolic distributions. We derive a variational Expectation-Maximisation algorithm for the estimation of the hyperparameters and show that our novel probabilistic approach compares favourably to existing techniques. We illustrate how the proposed method can be applied in the context of cryptoanalysis as a preprocessing tool for the construction of template attacks. 1

Reference: text


Summary: the most important sentenses genereted by tfidf model

sentIndex sentText sentNum sentScore

1 Sparse probabilistic projections C´ dric Archambeau e Department of Computer Science University College London, United Kingdom c. [sent-1, score-0.141]

2 org Abstract We present a generative model for performing sparse probabilistic projections, which includes sparse principal component analysis and sparse canonical correlation analysis as special cases. [sent-8, score-0.719]

3 Sparsity is enforced by means of automatic relevance determination or by imposing appropriate prior distributions, such as generalised hyperbolic distributions. [sent-9, score-0.593]

4 We derive a variational Expectation-Maximisation algorithm for the estimation of the hyperparameters and show that our novel probabilistic approach compares favourably to existing techniques. [sent-10, score-0.254]

5 In recent years, several methods for sparse PCA have been designed to find projections which retain maximal variance, while enforcing many entries of the projection matrix to be zero [20, 6]. [sent-15, score-0.288]

6 While most of these methods are based on convex or partially convex relaxations of the sparse PCA problem, [16] has looked at using the probabilistic PCA framework of [18] along with 1 -regularisation. [sent-16, score-0.246]

7 Recent attempts for constructing sparse CCA include [10, 19]. [sent-19, score-0.148]

8 In this paper, we build on the probabilistic interpretation of CCA outlined by [2] and further extended by [13]. [sent-20, score-0.128]

9 We introduce a general probabilistic model, which allows us to infer from an arbitrary number of views of the data, both a shared latent representation and individual low-dimensional representations of each one of them. [sent-21, score-0.284]

10 Hence, the probabilistic reformulations of PCA and CCA fit this probabilistic framework. [sent-22, score-0.196]

11 Moreover, we are interested in sparse solutions, as these are important for interpretation purposes, denoising or feature extraction. [sent-23, score-0.251]

12 A proper probabilistic approach allows us to treat the trade-off between the modelling accuracy (of the high-dimensional observations by low-dimensional latent variables) and the degree of sparsity of the projection directions in principled way. [sent-25, score-0.37]

13 For example, we do not need to estimate the sparse components successively, using, e. [sent-26, score-0.148]

14 , deflation, but we can estimate all sparse directions jointly as we are taking the uncertainty of the latent variable into account. [sent-28, score-0.303]

15 In order to ensure sparse solutions we propose two strategies. [sent-29, score-0.148]

16 The first one, discussed in Appendix A, is based on automatic relevance determination (ARD) [14]. [sent-30, score-0.117]

17 The entries in the projection matrix which are not well determined by the data are automatically driven to zero. [sent-32, score-0.097]

18 The second approach uses priors from the generalised hyperbolic family [3], and more specifically the inverse Gamma. [sent-33, score-0.473]

19 In this case, the degree of sparsity can be adjusted, eventually leading to very sparse solutions if desired. [sent-34, score-0.216]

20 For both approaches we derive a variational EM algorithm [15]. [sent-35, score-0.127]

21 (b) Marginal prior on the individual matrix entries (b = 1). [sent-52, score-0.108]

22 The measurement xp ∈ RDp is modelled as a mix of a common (or view independent) continuous latent vector y0 ∈ RQ0 and a view dependent continuous latent vector yp ∈ RQp , such that xp = Wp y0 + Vp yp + µp + where p. [sent-58, score-0.68]

23 {µp }P p=1 Wp ∈ RDp ×Q0 , Vp ∈ RDp ×Qp , p, are the view dependent offsets and p ∼ −1 N (0, τp IDp ) (1) is the residual error in view We are interested in the case where y0 and yp are low-dimensional vectors, i. [sent-59, score-0.187]

24 We impose Gaussian priors on the latent vectors: Dp for (2) y0 ∼ N (0, Φ−1 ), yp ∼ N (0, Φ−1 ), p ∈ {1, . [sent-62, score-0.276]

25 p 0 The resulting generative model comprises a number of popular probabilistic projection techniques as special cases. [sent-66, score-0.177]

26 If there is a single view (and a single latent cause) and the prior covariance is diagonal, we recover probabilistic factor analysis [9]. [sent-67, score-0.366]

27 If the prior is also isotropic, then we get probabilistic PCA [18]. [sent-68, score-0.158]

28 If there are two views, we recover probabilistic CCA [2]. [sent-69, score-0.098]

29 One way to achieve sparsity is by means of ARD-type priors [14]. [sent-73, score-0.108]

30 In this framework, a zero-mean Gaussian prior is imposed on the entries of the weight matrices: wip j ∼ N (0, 1/αip j ), ip ∈ {1, . [sent-74, score-0.242]

31 , Q0 }, (3) vip kp ∼ N (0, 1/βip kp ), ip ∈ {1, . [sent-80, score-0.219]

32 (4) Type II maximum likelihood leads then to a sparse solution when considering independent hyperparameters. [sent-87, score-0.148]

33 The updates arising in the context of probabilistic projections are given in Appendix A. [sent-88, score-0.169]

34 Since marginalisation with respect to both the latent vectors and the weights is intractable, we apply variational EM [15]. [sent-89, score-0.359]

35 In the remaining of this paper, we will assume that the marginal prior on each weight λij , which is either an entry of {Wp }P or {Vp }P and will be p=1 p=1 defined shortly, has the form of an (infinite) weighted sum of scaled Gaussians: p(λij ) = −1 N (0, γij ) p(γij ) dγij . [sent-94, score-0.119]

36 (5) We will chose the prior over γij in such a way that the resulting marginal prior over the corresponding λij induces sparsity. [sent-95, score-0.15]

37 A similar approach was followed in the context of sparse nonparametric Bayesian regression in [4, 5]. [sent-96, score-0.148]

38 Let us denote the nth observation, the corresponding latent vector and the means respectively by xn = xn1 , . [sent-99, score-0.286]

39 The generative model can be reformulated as follows: zn ∼ N (0, Φ−1 ), λij |γij ∼ Φ ∈ RQ×Q , Q = Q0 + −1 N (0, γij ), p Qp , (6) i ∈ {1, . [sent-109, score-0.628]

40 , Q}, D = xn |zn , Λ ∼ N (Λzn + µ, Ψ −1 Λ∈R ), D×Q D×D , Ψ∈R p Dp , , (7) (8) where    Λ1 W1  . [sent-115, score-0.131]

41 τP IDP Note that we do not assume that the latent spaces are correlated as Φ = diag{Φ0 , Φ1 , . [sent-152, score-0.155]

42 This is consistent with the fact the common latent space is modelled independently through y0 . [sent-156, score-0.181]

43 2 Sparsity inducing prior over the individual scale variables We impose an inverse Gamma prior on the scale variable γij : γij ∼ IG(a/DQ, b), (9) for all i and j. [sent-159, score-0.345]

44 The effective prior on the individual weights is shown in Figure 1(b). [sent-163, score-0.096]

45 Intuitively, the joint distribution over the weights is sparsity inducing as it is sharply peaked around zero (and in fact infinite for sufficiently small a). [sent-164, score-0.207]

46 However, it corresponds to imposing a flat prior on the scale variables over the log-scale, which is a limiting case of the Gamma distribution. [sent-169, score-0.177]

47 When imposing independent Gamma priors on the scale variables, the effective joint marginal is a product of Student-t distributions, which again is sharply peaked around zero and sparsity inducing. [sent-170, score-0.305]

48 3 Variational approximation We view {zn }N and matrix Γ as latent variables, and optimise the parameters θ = {µ, Φ, Λ, Ψ} n=1 by EM. [sent-171, score-0.246]

49 In other words, we view the weight matrix Λ as a matrix of parameter and estimate the 3 entries by maximum a posteriori (MAP) learning. [sent-172, score-0.13]

50 The variational free energy is given by N Fq (x1 , . [sent-174, score-0.216]

51 , xN , θ) = − ln p(xn , zn , Γ|θ) q − H[q(z1 , . [sent-177, score-0.689]

52 , zN , Γ)], (12) n=1 where · q denotes the expectation with respect to the variational distribution q and H[·] is the differential entropy. [sent-180, score-0.127]

53 Since the Kullback-Leibler divergence (KL) is non-negative, the negative free energy is a lower bound to log-marginal likelihood: N ln p(xn |θ) = −Fq ({xn }, θ) + KL [q({zn }, Γ) p({zn }, Γ)|{xn }, θ)] −Fq ({xn }, θ). [sent-181, score-0.18]

54 n=1 (13) Interestingly it is not required to make a factorised approximation of the the joint posterior q to find a tractable solution. [sent-182, score-0.16]

55 Indeed, the posterior q factorises naturally given the data and the weights, such that the posteriors we will obtain in the E-step are exact. [sent-183, score-0.142]

56 The variational EM finds maximum likelihood estimates for the parameters by cycling through the following two steps until convergence: 1. [sent-184, score-0.127]

57 The posterior over the latent variables are computed for fixed parameters by minimising the KL in (13). [sent-185, score-0.242]

58 It can be shown that the variational posteriors are given by N q(z1 , . [sent-186, score-0.166]

59 , zN ) ∝ q(Γ) ∝ e ln p(xn ,zn ,Γ|θ) e n=1 ln p(xn ,zn |Γ,θ) q(z1 ,. [sent-189, score-0.182]

60 The variational free energy (12) is minimised wrt the parameters for fixed q. [sent-194, score-0.216]

61 This leads in effect to type II ML estimates for the paramteres and is equivalent to maximising the expected complete log-likelihood: N θ ← argmax θ ln p(xn , zn , Γ|θ) q . [sent-195, score-0.727]

62 (16) n=1 Depending on the initialisation, the variational EM algorithm converges to a local maximum of the log-marginal likelihood. [sent-196, score-0.127]

63 The convergence can be checked by monitoring the variational lower bound, which monotonically increases during the optimisation. [sent-197, score-0.127]

64 The explicit expression of the variational bound is here omitted due to a lack of space 3. [sent-198, score-0.127]

65 1 Posterior of the latent vectors The joint posterior of the latent vectors factorises into N posteriors due to the fact the observations are independent. [sent-199, score-0.534]

66 Hence, the posterior of each low-dimenstional latent vector is given by q(zn ) = N (¯n , Sn ), z ¯ (17) ¯ ¯ ¯ where zn = Sn Λ Ψ(xn − µ) is the mean and Sn = Λ ΨΛ + Φ 3. [sent-200, score-0.812]

67 Posterior of the scale variables The inverse Gamma distribution is not conjugate to the exponential family. [sent-202, score-0.185]

68 It has the form of a product of generalised inverse Gaussian distributions (see Appendix B for a formal definition): D Q D Q N − (¯ ij , ϕij , χij ) ω ¯ ¯ p(γij |λij ) = q(Γ) = i=1 j=1 (18) i=1 j=1 a where ωij = − DQ + 1 is the index and ϕij = λ2 and χij = 2b are the shape parameters. [sent-204, score-0.583]

69 The ¯ ¯ ¯ ij 2 factorised form arises from the scale variable being independent conditioned on the weights. [sent-205, score-0.419]

70 3 Update for the parameters Based on the properties of the Gaussian and the generalised inverse Gaussian, we can compute the variational lower bound, which can then be maximised. [sent-207, score-0.406]

71 , γiQ ¯ ¯ (Λp zn ) Λp zn = tr{ zn zn Λp Λp }, √ χij ϕij ¯ ¯ χij Kω+1 ¯ . [sent-211, score-2.392]

72 More importantly, since we are seeking a sparse projection matrix, we do not suffer from the rotational ambiguity problem as is for example the case standard probabilistic PCA. [sent-213, score-0.295]

73 1 Experiments Synthetic denoising experiments Because of identifiability issues which are subject of ongoing work, we prefer to compare various methods for sparse PCA in a denoising experiment. [sent-215, score-0.294]

74 That is, we assume that the data were generated from sparse components plus some noise and we compare the various sparse PCA on the denoising task, i. [sent-216, score-0.369]

75 We generated the data as follows: select uniformly at random M = 4 unit norm sparse vectors in P = 10 dimensions with known number S = 4 of non zero entries, then generate i. [sent-219, score-0.189]

76 When the latent variables are Gaussian, our model exactly matches the data and our method should provide a better fit; however, we consider also situations where the model is misspecified in order to study the robustness of our probabilistic model. [sent-223, score-0.281]

77 We consider our two models: SCA-1 (which uses automatic relevance determination type of sparsity priors) and SCA-2 (which uses generalised hyperbolic distribution), where we used 6 latent dimensions (larger than 4) and fixed hyperparameters that lead to vague priors. [sent-224, score-0.71]

78 It can be seen that two proposed probabilistic approaches perform similarly and significantly outperform other sparse PCA methods, even when the model is misspecified. [sent-227, score-0.246]

79 0 Table 1: Denoising experiment with sparse PCA (we report mean squared errors): (top) Gaussian distributed latent vectors, (middle) latent vectors generated from the uniform distribution, (bottom) latent vectors generated from the Laplace distribution. [sent-278, score-0.695]

80 Figure 2: Power traces and first three principal directions. [sent-291, score-0.102]

81 Clearly, sparse probabilitic PCA can be viewed as being more robust to spurious noise and provides a more reliable and amenable solution. [sent-299, score-0.148]

82 5 Conclusion In this paper we introduced a general probabilistic model for inferring sparse probabilistic projection matrices. [sent-300, score-0.393]

83 Sparsity was enforced by either imposing an ARD-type prior or by means of the a NormalInverse Gamma prior. [sent-301, score-0.135]

84 Although the inverse Gamma is not conjugate to the exponential family, the posterior is tractable as it is a special case of the generalised inverse Gaussian [12], which in turn is a conjugate prior to this family. [sent-302, score-0.566]

85 6 A Automatic thresholding the weights by ARD In this section, we provide the updates for achieving automatic thresholding of projection matrix entries in a probabilistic setting. [sent-305, score-0.383]

86 We apply Tipping’s sparse Bayesian theory [8], which is closely related to ARD [14]. [sent-306, score-0.148]

87 More specifically, we assume the prior over the scale variables is uniform over a log-scale, which is a limiting case of the Gamma distribution. [sent-307, score-0.128]

88 Let us view {zn }N and Λ as latent variables and optimise the parameters θ = {µ, Φ, Ψ, Γ} by n=1 variational EM. [sent-308, score-0.401]

89 The variational free energy is given by N Fq (x1 , . [sent-309, score-0.216]

90 , xN , θ) = − ln p(xn , zn , Λ|θ) q − H[q(z1 , . [sent-312, score-0.689]

91 (24) n=1 In order to find a tractable solution, we further have to assume that the approximate posterior q has a factorised form. [sent-316, score-0.16]

92 We can then compute the posterior of the low-dimenstional latent vectors: q(zn ) = N (¯n , Sn ), z ¯ ¯ ¯ ¯ ¯ ¯ ¯ where zn = Sn Λ Ψ(xn − µ) and Sn = Λ ΨΛ + the weights is given by ¯ +Φ i Ψ(i, i)Σi −1 . [sent-317, score-0.848]

93 And the posterior of D D ¯ ¯ N (λi , Σi ), q(λi ) = q(Λ) = (25) (26) i=1 i=1 −1 ¯ ¯ ¯ ¯ ¯ ¯ where λi = Σi Ψ(i, i) n (xn (i) − µ(i))¯n and Σi = Γi + Ψ(i, i) n {Sn + zn zn } z . [sent-318, score-1.255]

94 Finally, the updates for the parameters are found by maximising the negative free energy, which corresponds to performing type II ML for the scaling variables. [sent-321, score-0.111]

95 Generalised inverse Gaussian distribution The Generalised inverse Gaussian distribution is in the class of generalised hyperbolic distributions. [sent-323, score-0.525]

96 The following expectations are useful [12]: y = χ Rω ( χφ), φ y −1 = φ R−ω ( χφ), χ √ d ln Kω ( χφ) ln y = ln ω + , dω (30) where Rω (·) ≡ Kω+1 (·)/Kω (·). [sent-325, score-0.273]

97 7 Inverse Gamma distribution When φ = 0 and ω < 0, the generalised inverse Gaussian distribution reduces to the inverse Gamma distribution: ba −a−1 − b IG(a, b) = x (31) e x , a, b > 0. [sent-335, score-0.371]

98 Absolute moments of generalized hyperbolic distributions and approximate scaling of normal inverse Gaussian L´ vy processes. [sent-358, score-0.246]

99 A direct formulation for sparse PCA using semidefinite programming. [sent-382, score-0.148]

100 Calibration of multivariate generalized hyperbolic distributions using the EM algorithm, with applications in risk management, portfolio optimization and portfolio credit risk. [sent-413, score-0.234]


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Abstract: Kernel supervised learning methods can be unified by utilizing the tools from regularization theory. The duality between regularization and prior leads to interpreting regularization methods in terms of maximum a posteriori estimation and has motivated Bayesian interpretations of kernel methods. In this paper we pursue a Bayesian interpretation of sparsity in the kernel setting by making use of a mixture of a point-mass distribution and prior that we refer to as “Silverman’s g-prior.” We provide a theoretical analysis of the posterior consistency of a Bayesian model choice procedure based on this prior. We also establish the asymptotic relationship between this procedure and the Bayesian information criterion. 1

5 0.50225282 221 nips-2008-Stochastic Relational Models for Large-scale Dyadic Data using MCMC

Author: Shenghuo Zhu, Kai Yu, Yihong Gong

Abstract: Stochastic relational models (SRMs) [15] provide a rich family of choices for learning and predicting dyadic data between two sets of entities. The models generalize matrix factorization to a supervised learning problem that utilizes attributes of entities in a hierarchical Bayesian framework. Previously variational Bayes inference was applied for SRMs, which is, however, not scalable when the size of either entity set grows to tens of thousands. In this paper, we introduce a Markov chain Monte Carlo (MCMC) algorithm for equivalent models of SRMs in order to scale the computation to very large dyadic data sets. Both superior scalability and predictive accuracy are demonstrated on a collaborative filtering problem, which involves tens of thousands users and half million items. 1 Stochastic Relational Models Stochastic relational models (SRMs) [15] are generalizations of Gaussian process (GP) models [11] to the relational domain, where each observation is a dyadic datum, indexed by a pair of entities. They model dyadic data by a multiplicative interaction of two Gaussian process priors. Let U be the feature representation (or index) space of a set of entities. A pair-wise similarity in U is given by a kernel (covariance) function Σ : U × U → R. A Gaussian process (GP) defines a random function f : U → R, whose distribution is characterized by a mean function and the covariance function Σ, denoted by f ∼ N∞ (0, Σ)1 , where, for simplicity, we assume the mean to be the constant zero. GP complies with the intuition regarding the smoothness — if two entities ui and uj are similar according to Σ, then f (ui ) and f (uj ) are similar with a high probability. A domain of dyadic data must involve another set of entities, let it be represented (or indexed) by V. In a similar way, this entity set is associated with another kernel function Ω. For example, in a typical collaborative filtering domain, U represents users while V represents items, then, Σ measures the similarity between users and Ω measures the similarity between items. Being the relation between a pair of entities from different sets, a dyadic variable y is indexed by the product space U × V. Then an SRM aims to model y(u, v) by the following generative process, Model 1. The generative model of an SRM: 1. Draw kernel functions Σ ∼ IW ∞ (δ, Σ◦ ), and Ω ∼ IW ∞ (δ, Ω◦ ); 2. For k = 1, . . . , d: draw random functions fk ∼ N∞ (0, Σ), and gk ∼ N∞ (0, Ω); 1 We denote an n dimensional Gaussian distribution with a covariance matrix Σ by Nn (0, Σ). Then N∞ (0, Σ) explicitly indicates that a GP follows an “infinite dimensional” Gaussian distribution. 1 3. For each pair (u, v): draw y(u, v) ∼ p(y(u, v)|z(u, v), γ), where d 1 z(u, v) = √ fk (u)gk (v) + b(u, v). d k=1 In this model, IW ∞ (δ, Σ◦ ) and IW ∞ (δ, Ω◦ ) are hyper priors, whose details will be introduced later. p(y|z, γ) is the problem-specific noise model. For example, it can follow a Gaussian noise distribution y ∼ N1 (z, γ) if y is numerical, or, a Bernoulli distribution if y is binary. Function b(u, v) is the bias function over the U × V. For simplicity, we assume b(u, v) = 0. In the limit d → ∞, the model converges to a special case where fk and gk can be analytically marginalized out and z becomes a Gaussian process z ∼ N∞ (0, Σ ⊗ Ω) [15], with the covariance between pairs being a tensor kernel K ((ui , vs ), (uj , vt )) = Σ(ui , uj )Ω(vs , vt ). In anther special case, if Σ and Ω are both fixed to be Dirac delta functions, and U, V are finite sets, it is easy to see that the model reduces to probabilistic matrix factorization. The hyper prior IW ∞ (δ, Σ◦ ) is called inverted Wishart Process that generalizes the finite ndimensional inverted Wishart distribution [2] IW n (Σ|δ, Σ◦ ) ∝ |Σ| − 1 (δ+2n) 2 1 etr − Σ−1 Σ◦ , 2 where δ is the degree-of-freedom parameter, and Σ◦ is a positive definite kernel matrix. We note that the above definition is different from the popular formulation [3] or [4] in the machine learning community. The advantage of this new notation is demonstrated by the following theorem [2]. Theorem 1. Let A ∼ IW m (δ, K), A ∈ R+ , K ∈ R+ , and A and K be partitioned as A= A11 , A12 , A21 , A22 K= K11 , K12 K21 , K22 where A11 and K11 are two n × n sub matrices, n < m, then A11 ∼ IW n (δ, K11 ). The new formulation of inverted Wishart is consistent under marginalization. Therefore, similar to the way of deriving GPs from Gaussian distributions, we define a distribution of infinite-dimensional kernel functions, denoted by Σ ∼ IW ∞ (δ, Σ◦ ), such that any sub kernel matrix of size m × m follows Σ ∼ IW m (δ, Σ◦ ), where both Σ and Σ◦ are positive definite kernel functions. In case when U and V are sets of entity indices, SRMs let Σ◦ and Ω◦ both be Dirac delta functions, i.e., any of their sub kernel matrices is an identity matrix. Similar to GP regression/classification, the major application of SRMs is supervised prediction based on observed relational values and input features of entities. Formally, let YI = {y(u, v)|(u, v) ∈ I} be the set of noisy observations, where I ⊂ U × V, the model aims to predict the noise-free values ZO = {z(u, v)|(u, v) ∈ O} on O ⊂ U × V. As our computation is always on a finite set containing both I and O, from now on, we only consider the finite subset U0 × V0 , a finite support subset of U × V that contains I ∪ O. Accordingly we let Σ be the covariance matrix of Σ on U0 , and Ω be the covariance matrix of Ω on V0 . Previously a variational Bayesian method was applied to SRMs [15], which computes the maximum a posterior estimates of Σ and Ω, given YI , and then predicts ZO based on the estimated Σ and Ω. There are two limitations of this empirical Bayesian approach: (1) The variational method is not a fully Bayesian treatment. Ideally we wish to integrate Σ and Ω; (2) The more critical issue is, the algorithm has the complexity O(m3 + n3 ), with m = |U0 | and n = |V0 |, is not scalable to a large relational domain where m or n exceeds several thousands. In this paper we will introduce a fully Bayesian inference algorithm using Markov chain Monte Carlo sampling. By deriving equivalent sampling processes, we show the algorithms can be applied to a dataset, which is 103 times larger than the previous work [15], and produce an excellent accuracy. In the rest of this paper, we present our algorithms for Bayesian inference of SRMs in Section 2. Some related work is discussed in Section 3, followed by experiment results of SRMs in Section 4. Section 5 concludes. 2 2 Bayesian Models and MCMC Inference In this paper, we tackle the scalability issue with a fully Bayesian paradigm. We estimate the expectation of ZO directly from YI using Markov-chain Monte Carlo (MCMC) algorithm (specifically, Gibbs sampling), instead of evaluating that from estimated Σ or Ω. Our contribution is in how to make the MCMC inference more efficient for large scale data. We first introduce some necessary notation here. Bold capital letters, e.g. X, indicate matrices. I(m) is an identity matrix of size m × m. Nd , Nm,d , IW m , χ−2 are the multivariate normal distribution, the matrix-variate normal distribution, the inverse-Wishart distribution, and the inverse chi-square distribution, respectively. 2.1 Models with Non-informative Priors Let r = |I|, m = |U0 | and n = |V0 |. It is assumed that d min(m, n), and the observed set, I, is sparse, i.e. r mn. First, we consider the case of Σ◦ = αI(m) and Ω◦ = βI(n) . Let {fk } on U0 denoted by matrix variate F of size m × d, {gk } on V0 denoted by matrix variate G of size n × d. Then the generative model is written as Model 2 and depicted in Figure 1. Model 2. The generative model of a matrix-variate SRM: Σ 1. Draw Σ ∼ IW m (δ, αI(m) ) and Ω ∼ IW n (δ, βI(n) ); Ω I(d) G F 2. Draw F|Σ ∼ Nm,d (0, Σ ⊗ I(d) ) and G|Ω ∼ Nn,d (0, Ω ⊗ I(d) ); I(d) Z 3. Draw s2 ∼ χ−2 (ν, σ 2 ) ; 4. Draw Y|F, G, s2 ∼ Nm,n (Z, s2 I(m) ⊗ I(n) ), where Z = FG . s2 Y where Nm,d is the matrix-variate normal distribution of size m × d; α, Figure 1: Model 2 β, δ, ν and σ 2 are scalar parameters of the model. A slight difference √ between this finite model and Model 1 is that the coefficient 1/ d is ignored for simplicity because this coefficient can be absorbed by α or β. As we can explicitly compute Pr(Σ|F), Pr(Ω|G), Pr(F|YI , G, Σ, s2 ), Pr(G|YI , F, Ω, s2 ), Pr(s2 |YI , F, G), we can apply Gibbs sampling algorithm to compute ZO . However, the computational time complexity is at least O(m3 + n3 ), which is not practical for large scale data. 2.2 Gibbs Sampling Method To overcome the inefficiency in sampling large covariance matrices, we rewrite the sampling process using the property of Theorem 2 to take the advantage of d min(m, n). αI(d) αI(m) Theorem 2. If 1. Σ ∼ IW m (δ, αI(m) ) and F|Σ ∼ Nm,d (0, Σ ⊗ I(d) ), 2. K ∼ IW d (δ, αI(d) ) and H|K ∼ Nm,d (0, I(m) ⊗ K), then, matrix variates, F and H, have the same distribution. Proof sketch. Matrix variate F follows a matrix variate t distribution, t(δ, 0, αI(m) , I(d) ), which is written as 1 Σ I(d) F → I(m) K F Figure 2: Theorem 2 1 p(F) ∝ |I(m) + (αI(m) )−1 F(I(d) )−1 F |− 2 (δ+m+d−1) = |I(m) + α−1 FF |− 2 (δ+m+d−1) Matrix variate H follows a matrix variate t distribution, t(δ, 0, I(m) , αI(d) ), which can be written as 1 1 p(H) ∝ |I(m) + (I(m) )−1 H(αI(d) )−1 H |− 2 (δ+m+d−1) = |I(m) + α−1 HH |− 2 (δ+m+d−1) Thus, matrix variates, F and H, have the same distribution. 3 This theorem allows us to sample a smaller covariance matrix K of size d × d on the column side instead of sampling a large covariance matrix Σ of size m × m on the row side. The translation is depicted in Figure 2. This theorem applies to G as well, thus we rewrite the model as Model 3 (or Figure 3). A similar idea was used in our previous work [16]. Model 3. The alternative generative model of a matrix-variate SRM: I(m) I(n) K R 1. Draw K ∼ IW d (δ, αI(d) ) and R ∼ IW d (δ, βI(d) ); G F 2. Draw F|K ∼ Nm,d (0, I(m) ⊗ K), and G|R ∼ Nn,d (0, I(n) ⊗ R), 3. Draw s2 ∼ χ−2 (ν, σ 2 ) ; Z 4. Draw Y|F, G, s2 ∼ Nm,n (Z, s2 I(m) ⊗ I(n) ), where Z = FG . s2 Y Let column vector f i be the i-th row of matrix F, and column vector gj Figure 3: Model 3 be the j-th row of matrix G. In Model 3, {f i } are independent given K, 2 G and s . Similar independence applies to {gj } as well. The conditional posterior distribution of K, R, {f i }, {gj } and s2 can be easily computed, thus the Gibbs sampling for SRM is named BSRM (for Bayesian SRM). We use Gibbs sampling to compute the mean of ZO , which is derived from the samples of FG . Because of the sparsity of I, each iteration in this sampling algorithm can be computed in O(d2 r + d3 (m + n)) time complexity2 , which is a dramatic reduction from the previous time complexity O(m3 + n3 ) . 2.3 Models with Informative Priors An important characteristic of SRMs is that it allows the inclusion of certain prior knowledge of entities into the model. Specifically, the prior information is encoded as the prior covariance parameters, i.e. Σ◦ and Ω◦ . In the general case, it is difficult to run sampling process due to the size of Σ◦ and Ω◦ . We assume that Σ◦ and Ω◦ have a special form, i.e. Σ◦ = F◦ (F◦ ) + αI(m) , where F◦ is an m × p matrix, and Ω◦ = G◦ (G◦ ) + βI(n) , where G◦ is an n × q matrix, and the magnitude of p and q is about the same as or less than that of d. This prior knowledge can be obtained from some additional features of entities. Although such an informative Σ◦ prevents us from directly sampling each row of F independently, as we do in Model 3, we can expand matrix F of size m × d to (F, F◦ ) of size m × (d + p), and derive an equivalent model, where rows of F are conditionally independent given F◦ . Figure 4 illustrates this transformation. Theorem 3. Let δ > p, Σ◦ = F◦ (F◦ ) + αI(m) , where F◦ is an m × p matrix. If 1. Σ ∼ IW m (δ, Σ◦ ) and F|Σ ∼ Nm,d (0, Σ ⊗ I(d) ), K11 K12 ∼ IW d+p (δ − p, αI(d+p) ) and K21 K22 H|K ∼ Nm,d (F◦ K−1 K21 , I(m) ⊗ K11·2 ), 22 2. K = αI(d+p) Σ0 Σ I(d) F → I(m) K (F, F0 ) Figure 4: Theorem 3 where K11·2 = K11 − K12 K−1 K21 , then F and H have the same distribution. 22 Proof sketch. Consider the distribution (H1 , H2 )|K ∼ Nm,d+p (0, I(m) ⊗ K). (1) Because H1 |H2 ∼ Nm,d (H2 K−1 K21 , I(m) ⊗ K11·2 ), p(H) = p(H1 |H2 = F◦ ). On the other 22 hand, we have a matrix-variate t distribution, (H1 , H2 ) ∼ tm,d+p (δ − p, 0, αI(m) , I(d+p) ). By Theorem 4.3.9 in [4], we have H1 |H2 ∼ tm,d (δ, 0, αI(m) + H2 H2 , I(d) ) = tm,d (δ, 0, Σ◦ , I(d) ), which implies p(F) = p(H1 |H2 = F◦ ) = p(H). 2 |Y − FG |2 can be efficiently computed in O(dr) time. I 4 The following corollary allows us to compute the posterior distribution of K efficiently. Corollary 4. K|H ∼ IW d+p (δ + m, αI(d+p) + (H, F◦ ) (H, F◦ )). Proof sketch. Because normal distribution and inverse Wishart distribution are conjugate, we can derive the posterior distribution K from Eq. (1). Thus, we can explicitly sample from the conditional posterior distributions, as listed in Algorithm 1 (BSRM/F for BSRM with features) in Appendix. We note that when p = q = 0, Algorithm 1 (BSRM/F) reduces to the exact algorithm for BSRM. Each iteration in this sampling algorithm can be computed in O(d2 r + d3 (m + n) + dpm + dqn) time complexity. 2.4 Unblocking for Sampling Implementation Blocking Gibbs sampling technique is commonly used to improve the sampling efficiency by reducing the sample variance according to the Rao-Blackwell theorem (c.f. [9]). However, blocking Gibbs sampling is not necessary to be computationally efficient. To improve the computational efficiency of Algorithm 1, we use unblocking sampling to reduce the major computational cost is Step 2 and Step 4. We consider sampling each element of F conditionally. The sampling process is written as Step 4 and Step 9 of Algorithm 2, which is called BSRM/F with conditional Gibss sampling. We can reduce the computational cost of each iteration to O(dr + d2 (m + n) + dpm + dqn), which is comparable to other low-rank matrix factorization approaches. Though such a conditional sampling process increases the sample variance comparing to Algorithm 1, we can afford more samples within a given amount of time due to its faster speed. Our experiments show that the overall computational cost of Algorithm 2 is usually less than that of Algorithm 1 when achieving the same accuracy. Additionally, since {f i } are independent, we can parallelize the for loops in Step 4 and Step 9 of Algorithm 2. 3 Related Work SRMs fall into a class of statistical latent-variable relational models that explain relations by latent factors of entities. Recently a number of such models were proposed that can be roughly put into two groups, depending on whether the latent factors are continuous or discrete: (1) Discrete latent-state relational models: a large body of research infers latent classes of entities and explains the entity relationship by the probability conditioned on the joint state of participating entities, e.g., [6, 14, 7, 1]. In another work [10], binary latent factors are modeled; (2) Continuous latent-variable relational models: many such models assume relational data underlain by multiplicative effects between latent variables of entities, e.g. [5]. A simple example is matrix factorization, which recently has become very popular in collaborative filtering applications, e.g., [12, 8, 13]. The latest Bayesian probabilistic matrix factorization [13] reported the state-of-the-art accuracy of matrix factorization on Netflix data. Interestingly, the model turns out to be similar to our Model 3 under the non-informative prior. This paper reveals the equivalence between different models and offers a more general Bayesian framework that allows informative priors from entity features to play a role. The framework also generalizes Gaussian processes [11] to a relational domain, where a nonparametric prior for stochastic relational processes is described. 4 Experiments Synthetic data: We compare BSRM under noninformative priors against two other algorithms: the fast max-margin matrix factorization (fMMMF) in [12] with a square loss, and SRM using variational Bayesian approach (SRM-VB) in [15]. We generate a 30 × 20 random matrix (Figure 5(a)), then add Gaussian noise with σ 2 = 0.1 (Figure 5(b)). The root mean squared noise is 0.32. We select 70% elements as the observed data and use the rest of the elements for testing. The reconstruction matrix and root mean squared errors (RMSEs) of predictions on the test elements are shown in Figure 5(c)-5(e). BSRM outperforms the variational approach of SRMs and fMMMF. Note that because of the log-determinant penalty of the inverse Wishart prior, SRM-VB enforces the rank to be smaller, thus the result of SRM-VB looks smoother than that of BSRM. 5 5 5 5 5 5 10 10 10 10 10 15 15 15 15 15 20 20 20 20 20 25 25 25 25 30 30 2 4 6 8 10 12 14 16 18 20 30 2 4 6 8 10 12 14 16 18 20 25 30 2 4 6 8 10 12 14 16 18 20 30 2 4 6 8 10 12 14 16 18 20 (a) Original Matrix (b) With Noise(0.32) (c) fMMMF (0.27) (d) SRM-VB(0.22) 2 4 6 8 10 12 14 16 18 20 (e) BSRM(0.19) Figure 5: Experiments on synthetic data. RMSEs are shown in parentheses. RMSE MAE User Mean 1.425 1.141 Movie Mean 1.387 1.103 fMMMF [12] 1.186 0.943 VB [8] 1.165 0.915 Table 1: RMSE (root mean squared error) and MAE (mean absolute error) of the experiments on EachMovie data. All standard errors are 0.001 or less. EachMovie data: We test the accuracy and the efficiency of our algorithms on EachMovie. The dataset contains 74, 424 users’ 2, 811, 718 ratings on 1, 648 movies, i.e. about 2.29% are rated by zero-to-five stars. We put all the ratings into a matrix, and randomly select 80% as observed data to predict the remaining ratings. The random selection was carried out 10 times independently. We compare our approach against several competing methods: 1) User Mean, predicting ratings by the sample mean of the same user’s ratings; 2) Move Mean, predicting rating by the sample mean of ratings on the same movie; 3) fMMMF [12]; 4) VB introduced in [8], which is a probabilistic lowrank matrix factorization using variational approximation. Because of the data size, we cannot run the SRM-VB of [15]. We test the algorithms BSRM and BSRM/F, both following Algorithm 2, which run without and with features, respectively. The features used in BSRM/F are generated from the PCA result of the binary indicator matrix that indicates whether the user rates the movie. The 10 top factors of both the user side and the movie side are used as features, i.e. p = 10, q = 10. We run the experiments with different d = 16, 32, 100, 200, 300. The hyper parameters are set to some trivial values, δ = p + 1 = 11, α = β = 1, σ 2 = 1, and ν = 1. The results are shown in Table 1 and 2. We find that the accuracy improves as the number of d is increased. Once d is greater than 100, the further improvement is not very significant within a reasonable amount of running time. rank (d) BSRM RMSE MAE BSRM/F RMSE MAE 16 1.0983 0.8411 1.0952 0.8311 32 1.0924 0.8321 1.0872 0.8280 100 1.0905 0.8335 1.0848 0.8289 200 1.0903 0.8340 1.0846 0.8293 300 1.0902 0.8393 1.0852 0.8292 Table 2: RMSE (root mean squared error) and MAE (mean absolute error) of experiments on EachMovie data. All standard errors are 0.001 or less. RMSE To compare the overall computational efficiency of the two Gibbs sampling procedures, Algorithm 1 and Algorithm 2, we run both algorithms 1.2 and record the running time and accuracy Algorithm 1 Algorithm 2 in RMSE. The dimensionality d is set to 1.18 be 100. We compute the average ZO and burn-in ends evaluate it after a certain number of itera1.16 tions. The evaluation results are shown in Figure 6. We run both algorithms for 100 1.14 burn-in ends iterations as the burn-in period, so that we 1.12 can have an independent start sample. After the burn-in period, we restart to compute 1.1 the averaged ZO and evaluate them, therefore there are abrupt points at 100 iterations 1.08 in both cases. The results show that the 0 1000 2000 3000 4000 5000 6000 7000 8000 overall accuracy of Algorithm 2 is better at Running time (sec) any given time. Figure 6: Time-Accuracy of Algorithm 1 and 2 6 Netflix data: We also test the algorithms on the large collection of user ratings from netflix.com. The dataset consists of 100, 480, 507 ratings from 480, 189 users on 17, 770 movies. In addition, Netflix also provides a set of validation data with 1, 408, 395 ratings. In order to evaluate the prediction accuracy, there is a test set containing 2, 817, 131 ratings whose values are withheld and unknown for all the participants. The features used in BSRM/F are generated from the PCA result of a binary matrix that indicates whether or not the user rated the movie. The top 30 user-side factors are used as features, none of movie-side factors are used, i.e. p = 30, q = 0. The hyper parameters are set to some trivial values, δ = p + 1 = 31, α = β = 1, σ 2 = 1, and ν = 1. The results on the validation data are shown in Table 3. The submitted result of BSRM/F(400) achieves RMSE 0.8881 on the test set. The running time is around 21 minutes per iteration for 400 latent dimensions on an Intel Xeon 2GHz PC. RMSE VB[8] 0.9141 BPMF [13] 0.8920 100 0.8930 BSRM 200 0.8910 400 0.8895 100 0.8926 BSRM/F 200 400 0.8880 0.8874 Table 3: RMSE (root mean squared error) of experiments on Netflix data. 5 Conclusions In this paper, we study the fully Bayesian inference for stochastic relational models (SRMs), for learning the real-valued relation between entities of two sets. We overcome the scalability issue by transforming SRMs into equivalent models, which can be efficiently sampled. The experiments show that the fully Bayesian inference outperforms the previously used variational Bayesian inference on SRMs. In addition, some techniques for efficient computation in this paper can be applied to other large-scale Bayesian inferences, especially for models involving inverse-Wishart distributions. Acknowledgment: We thank the reviewers and Sarah Tyler for constructive comments. References [1] E. Airodi, D. Blei, S. Fienberg, and E. P. Xing. Mixed membership stochastic blockmodels. In Journal of Machine Learning Research, 2008. [2] A. P. Dawid. Some matrix-variate distribution theory: notational considerations and a Bayesian application. Biometrika, 68:265–274, 1981. [3] A. Gelman, J. B. Carlin, H. S. Stern, and D. B. Rubin. Bayesian Data Analysis. Chapman & Hall, New York, 1995. [4] A. K. Gupta and D. K. Nagar. Matrix Variate Distributions. Chapman & Hall/CRC, 2000. [5] P. Hoff. Multiplicative latent factor models for description and prediction of social networks. Computational and Mathematical Organization Theory, 2007. [6] T. Hofmann. Latent semantic models for collaborative filtering. ACM Trans. Inf. Syst., 22(1):89–115, 2004. [7] C. Kemp, J. B. Tenenbaum, T. L. Griffiths, T. Yamada, and N. Ueda. Learning systems of concepts with an infinite relational model. In Proceedings of the 21st National Conference on Artificial Intelligence (AAAI), 2006. [8] Y. J. Lim and Y. W. Teh. Variational Bayesian approach to movie rating prediction. In Proceedings of KDD Cup and Workshop, 2007. [9] J. S. Liu. Monte Carlo Strategies in Scientific Computing. Springer, 2001. [10] E. Meeds, Z. Ghahramani, R. Neal, and S. T. Roweis. Modeling dyadic data with binary latent factors. In Advances in Neural Information Processing Systems 19, 2007. [11] C. E. Rasmussen and C. K. I. Williams. Gaussian Processes for Machine Learning. MIT Press, 2006. [12] J. D. M. Rennie and N. Srebro. Fast maximum margin matrix factorization for collaborative prediction. In ICML, 2005. 7 [13] R. Salakhutdinov and A. Mnih. Bayeisna probabilistic matrix factorization using Markov chain Monte Carlo. In The 25th International Conference on Machine Learning, 2008. [14] Z. Xu, V. Tresp, K. Yu, and H.-P. Kriegel. Infinite hidden relational models. In Proceedings of the 22nd International Conference on Uncertainty in Artificial Intelligence (UAI), 2006. [15] K. Yu, W. Chu, S. Yu, V. Tresp, and Z. Xu. Stochastic relational models for discriminative link prediction. In Advances in Neural Information Processing Systems 19 (NIPS), 2006. [16] S. Zhu, K. Yu, and Y. Gong. Predictive matrix-variate t models. In J. Platt, D. Koller, Y. Singer, and S. Roweis, editors, NIPS ’07: Advances in Neural Information Processing Systems 20, pages 1721–1728. MIT Press, Cambridge, MA, 2008. Appendix Before presenting the algorithms, we introduce the necessary notation. Let Ii = {j|(i, j) ∈ I} and Ij = {i|(i, j) ∈ I}. A matrix with subscripts indicates its submatrix, which consists its entries at the given indices in the subscripts, for example, XIj ,j is a subvector of the j-th column of X whose row indices are in set Ij , X·,j is the j-th column of X (· indicates the full set). Xi,j denotes the (i, j)-th 2 entry of X. |X|2 is the squared sum of elements in set I, i.e. (i,j)∈I Xi,j . We fill the unobserved I elements in Y with 0 for simplicity in notation Algorithm 1 BSRM/F: Gibbs sampling for SRM with features 1: Draw K ∼ IW d+p (δ + m, αI(d+p) + (F, F◦ ) (F, F◦ )); 2: For each i ∈ U0 , draw f i ∼ Nd (K(i) (s−2 G Y i,· + K−1 K12 K−1 f ◦ ), K(i) ), 11·2 22 i −1 where K(i) = s−2 (GIi ,· ) GIi ,· + K−1 ; 11·2 3: Draw R ∼ IW d+q (δ + n, βI(d+q) + (G, G◦ ) (G, G◦ )); 4: For each j ∈ V0 , draw gj ∼ Nd (R(j) (s−2 F Y ·,j + R−1 R12 R−1 g◦ ), R(j) ), 11·2 22 j −1 where R(j) = s−2 (FIj ,· ) FIj ,· + R−1 ; 11·2 5: Draw s2 ∼ χ−2 (ν + r, σ 2 + |Y − FG |2 ). I Algorithm 2 BSRM/F: Conditional Gibbs sampling for SRM with features 1: ∆i,j ← Yi,j − k Fi,k Gj,k , for (i, j) ∈ I; 2: Draw Φ ∼ Wd+p (δ + m + d + p − 1, (αI(d+p) + (F, F◦ ) (F, F◦ ))−1 ); 3: for each (i, k) ∈ U0 × {1, · · · , d} do 4: Draw f ∼ N1 (φ−1 (s−2 ∆i,Ii GIi ,k − Fi,· Φ·,k ), φ−1 ), where φ = s−2 (GIi ,k ) GIi ,k + Φk,k ; 5: Update Fi,k ← Fi,k + f , and ∆i,j ← ∆i,j − f Gj,k , for j ∈ Ii ; 6: end for 7: Draw Ψ ∼ Wd+q (δ + n + d + q − 1, (βI(d+q) + (G, G◦ ) (G, G◦ ))−1 ); 8: for each (j, k) ∈ V0 × {1, · · · , d} do 9: Draw g ∼ N1 (ψ −1 (s−2 ∆Ij ,j FIj ,k −Gj,· Ψ·,k ), ψ −1 ), where ψ = s−2 (FIj ,k ) FIj ,k +Ψk,k ; 10: Update Gj,k ← Gj,k + g and ∆i,j ← ∆i,j − gFi,k , for i ∈ Ij ; 11: end for 12: Draw s2 ∼ χ−2 (ν + r, σ 2 + |∆|2 ). I 8

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