Ch 4. Linear Models for Classification (1/2) Pattern Recognition and Machine Learning, C. M. Bishop, 2006. Summarized and revised by Hee-Woong Lim Contents 4.1. Discriminant Functions 4.2. Probabilistic Generative Models (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 2 Classification Models Linear classification model (D-1)-dimensional hyperplane for D-dimensional input space 1-of-K coding scheme for K>2 classes, such as t = (0, 1, 0, 0, 0)T Discriminant function Directly assigns each vector x to a specific class. ex. Fishers linear discriminant p Ck | x Approaches using conditional probability Separation of inference and decision states Two approaches Direct modeling of the posterior probability Generative approach – Modeling likelihood and prior probability to calculate the posterior probability – Capable of generating samples (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 3 Discriminant Functions-Two Classes Classification by hyperplanes y x w T x w0 if y x 0, x C1 otherwise, x C2 or y x wT x where w w0 , w and x 1, x (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 4 Discriminant Functions-Multiple Classes One-versus-the-rest classifier K-1 classifiers for a K-class discriminant Ambiguous when more than two classifiers say ‘yes’. One-versus-one classifier K(K-1)/2 binary discriminant functions Majority voting ambiguousness with equal scores One-versus-the-rest One-versus-one (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 5 Discriminant Functions-Multiple Classes (Cont’d) K-class discriminant comprising K linear functions Assigns x to the corresponding class having the maximum output. yk x wTk x wk 0 , k 1,..., K x Ck if yk x y j x for j k The decision regions are always singly connected and convex. For x A , x B Ck , let xˆ x A 1 x B . Then yk xˆ yk x A 1 yk x B . yk x A y j x A and yk x B y j x B for j k , therefore yk xˆ y j xˆ for j k . (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 6 Approaches for Learning Parameters for Linear Discriminant Functions Least square method Fisher’s linear discriminant Relation to least squares Multiple classes Perceptron algorithm (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 7 Least Square Method Minimization of the sum-of-squares error (SSE) 1-of-K binary coding scheme for the target vector t. y x WT x where W w1 w 2 ... w K and w k wk 0, w Tk T . For a training data set, {xn, tn} where n = 1,…,N. The sum of squares error function is… ED W 1 Tr XW T 2 XW T , T where X x1 x 2 ... x N and T t1 t 2 ... t N . T Minimizing SSE gives T W XT X 1 XT T X T. Pseudo inverse (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 8 Least Square Method (Cont’d) -Limit and Disadvantage The least-squares solutions yields y(x) whose elements sum to 1, but do not ensure the outputs to be in the range [0,1]. Vulnerable to outliers Because SSE function penalizes ‘too correct’ examples i.e. far from the decision boundary. ML under Gaussian conditional distribution Unimodal vs. multimodal (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 9 Least Square Method (Cont’d) -Limit and Disadvantage Lack of robustness comes from… Least square method corresponds to the maximum likelihood under the assumption of Gaussian distribution. Binary target vectors are far from this assumption. Least square solution Logistic regression (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 10 Fisher’s Linear Discriminant Linear classification model as dimensionality reduction from the D-dimensional space to one dimension. In case of two classes yw x T if y w0 , then x C1 x C2 otherwise, Finding w such that the projected data are clustered well. (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 11 Fisher’s Linear Discriminant (Cont’d) Maximizing projected mean distance? The distance between the cluster means, m1 and m2 projected onto w. 1 1 m2 m1 w T m2 m1 m1 N1 x n and m 2 nC1 N2 x n nC2 Not appropriate when the covariances are nondiagonal. (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 12 Fisher’s Linear Discriminant (Cont’d) Integrate the within-class variance of the projected data. Finding w that maximizes J(w). J w 2 m2 m1 , where s 2 si2 s22 wTS B w J w T w SW w k y n mk SB: Between-class covariance matrix 2 SW: Within-class covariance matrix nCk S B m 2 m1 m 2 m1 SW T T T x m x m x m x m n 1 n 1 n 2 n 2 nC1 J(w) is maximized when nC2 w S wS T B Ww wTSW w S B w in the direction of (m2-m1) Fisher’s linear discriminant w SW1 m2 m1 If the within-class covariance is isotropic, w is proportional to the difference of the class means as in the previous case. (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 13 Fisher’s Linear Discriminant -Relation to Least Squares Fisher criterion as a special case of least squares When setting target values as: N/N1 for class C1 and N/N2 for class C2. w T x n w0 tn 0 w T x n w0 tn x n 0 N 1 E 2 N n 1 w xn w0 tn T dE / dw0 0 2 dE / dw 0 n 1 N n 1 1 w0 wTm, where m N N xn n 1 1 N1m1 N2m2 N N1N2 S S B w N m1 m2 . W N 1 w SW m1 m2 . (1) (2) by solving (1). by solving (2) with the w0 above. SB w : always in the direction of m2 m1 (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 14 Fisher’s Discriminant for Multiple Classes K > 2 classes Dimension reduction from D to D’ D’ > 1 linear features, yk (k = 1,…,D’) yk wTk x Generalization of SW and SB K SW S k , where S k k 1 K SB T x m x m n k n k and mk nCk N k m k m m k m 1 Nk x . n nCk T k 1 SB is from the decomposition of total covariance matrix (Duda and Hart, 1997) N 1 ST xn m xn m , where m N n 1 T N 1 xn N n 1 K N m . k k k 1 ST SW S B . (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 15 Fisher’s Discriminant for Multiple Classes (Cont’d) Covariance matrices in the projected y-space K sW y k μk yk μk T K and s B k 1 nCk 1 where μ k Nk nCk 1 y n and μ N Fukunaga’s criterion Another criterion N k μ k μ μ k μ , T k 1 K N μ . k k k 1 J W Tr 1 sW sB Tr WSW WT WS W 1 T B Duda et al. ‘Pattern Classification’, Ch. 3.8.3 Determinant: the product of the eigenvalues, i.e. the variances in the principal directions. WS B W T sB J W = T sW WSW W (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 16 Fisher’s Discriminant for Multiple Classes (Cont’d) (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 17 Perceptron Algorithm Classification of x by a perceptron 1, a 0 y x f w x , where f a . 1, a 0 T Error functions The total number of misclassified patterns constant and discontinuous gradient is zero almost everywhere. Piecewise Perceptron criterion. EP w w t , where t T n n n is the target output. nM (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 18 Perceptron Algorithm (cont’d) Stochastic gradient descent algorithm w 1 w EP w w ntn The error from a misclassified pattern is reduced after each iteration. Not imply the overall error is reduced. w 1 T ntn w Tntn ntn ntn w Tntn T Perceptron convergence theorem. If there exists an exact solution (i.e. linear separable), the perceptron learning algorithm is guaranteed to find it. However… Learning speed, linearly nonseparable, multiple classes (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 19 Perceptron Algorithm (cont’d) (a) (b) (c) (d) (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 20 Probabilistic Generative Models Computation of posterior probabilities using class-conditional densities and class priors. p x | Ck and p Ck p Ck | x Two classes p C1 | x p x | C1 p C1 p x | C1 p C1 p x | C2 p C2 1 a 1 exp a where a ln p x | C1 p C1 p x | C2 p C2 . Generalization to K > 2 classes p Ck | x p x | Ck p Ck exp ak p x | C p C j j j where ak ln p x | Ck p Ck . j exp a j , The normalized exponential is also known as the softmax function, i.e. smoothed version of the ‘max’ function. (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 21 Probabilistic Generative Models -Continuous Inputs Posterior probabilities when the class-conditional densities are Gaussian. p x | Ck When sharing the same covariance matrix ∑, p x | Ck 1 1 2 D / 2 1/ 2 T 1 exp x μ k 1 x μ k . 2 Two classes p C1 | x w T x w0 w 1 μ1 μ 2 p C1 1 T 1 1 T 1 and w0 μ1 μ1 μ 2 μ 2 ln 2 2 p C2 p C1 | x The quadratic terms in x from the exponents are cancelled. The resulting decision boundary is linear in input space. The prior only shifts the decision boundary, i.e. parallel contour. (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 22 Probabilistic Generative Models -Continuous Inputs (cont’d) Generalization to K classes ak x wTk x wk 0 1 w k 1μk and wk 0 μTk 1μk ln p Ck 2 When sharing the same covariance matrix, the decision boundaries are linear again. If each class-condition density have its own covariance matrix, we will obtain quadratic functions of x, giving rise to a quadratic discriminant. (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 23 Probabilistic Generative Models -Maximum Likelihood Solution Determining the parameters for p x | Ck and p Ck using maximum likelihood from a training data set. Two classes Data set: xn , tn , n 1,..., N Priors: p C1 and p C2 1 tn 1 or 0, (denoting C1 and C2 , respectively) p xn , C1 p C1 p xn | C1 N xn | μ1 , p xn , C2 p C2 p xn | C2 1 N xn | μ2 , The likelihood function p t | x, μ1, μ2 , N n 1 1 tn N xn | μ1, n 1 N xn | μ2 , t (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 24 t t t1,..., N T Probabilistic Generative Models -Maximum Likelihood Solution (cont’d) Two classes (cont’d) Maximization of the likelihood with respect to π. of the log likelihood that depend on π. Setting the derivative with respect to π equal to zero. Terms N tn ln 1 tn ln 1 1 N n 1 N tn n 1 N1 N1 N N1 N 2 Maximization with respect to μ1. N 1 tn ln N xn | μ1, 2 n 1 1 μ1 N1 N t x n n n 1 N tn xn μ1 1 xn μ1 const. T n 1 1 μ and analogously 2 N2 N 1 t x n n n 1 (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 25 Probabilistic Generative Models -Maximum Likelihood Solution (cont’d) Two classes (cont’d) Maximization of the likelihood with respect to the shared covariance matrix ∑. N N 1 2 1 2 N N N ln Tr 1S 2 2 1 tn 2 n 1 tn x n μ1 1 x n μ1 T n 1 1 1 tn 2 n 1 N 1 t n xn μ 2 T 1 xn μ 2 n 1 S Weighted average of the covariance matrices associated with each classes. N1 N S1 2 S 2 N N 1 Sk xn μk xn μk T N k nC S k But not robust to outliers. (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 26 Probabilistic Generative Models -Discrete Features Discrete feature values xi 0,1 General distribution would correspond to a 2D size table. When we have D inputs, the table size grows exponentially with the number of features. Naïve Bayes assumption, conditioned on the class Ck p x | Ck D 1 xi kixi 1 ki i 1 ln p x | Ck p Ck D x ln i ki 1 xi ln 1 ki ln p Ck i 1 Linear with respect to the features as in the continuous features. (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 27 Bayes Decision Boundaries: 2D -Pattern Classification, Duda et al. pp.42 (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 28 Bayes Decision Boundaries: 3D -Pattern Classification, Duda et al. pp.43 (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ 29 Probabilistic Generative Models -Exponential Family For both Gaussian distributed and discrete inputs… The posterior class probabilities are given by Generalized linear models with logistic sigmoid or softmax activation functions. Generalization to the class-conditional densities of the exponential family The subclass for which u(x) = x. Exponential family For some scaling parameter s, p x | λ k h x g λ k exp λ Tk u x 1 1 1 p x | λ k , s h x g λ k exp λ Tk x . s s s Two-classes a x λ1 λ2 T x ln g λ1 ln g λ2 ln p C1 ln p C2 K-classes ak x λTk x ln g λ k ln p Ck Linear with respect to x again. where p Ck | x exp ak (C) 2006, SNU Biointelligence Lab, http://bi.snu.ac.kr/ p C1 | x a1 . j exp a j . 30