Least-squares support-vector machines (LS-SVM) for statistics and in statistical modeling, are least-squares versions of support-vector machines (SVM), which are a set of related supervised learning methods that analyze data and recognize patterns, and which are used for classification and regression analysis. In this version one finds the solution by solving a set of linear equations instead of a convex quadratic programming (QP) problem for classical SVMs. Least-squares SVM classifiers were proposed by Johan Suykens and Joos Vandewalle. LS-SVMs are a class of kernel-based learning methods. == From support-vector machine to least-squares support-vector machine == Given a training set { x i , y i } i = 1 N {\displaystyle \{x_{i},y_{i}\}_{i=1}^{N}} with input data x i ∈ R n {\displaystyle x_{i}\in \mathbb {R} ^{n}} and corresponding binary class labels y i ∈ { − 1 , + 1 } {\displaystyle y_{i}\in \{-1,+1\}} , the SVM classifier, according to Vapnik's original formulation, satisfies the following conditions: { w T ϕ ( x i ) + b ≥ 1 , if y i = + 1 , w T ϕ ( x i ) + b ≤ − 1 , if y i = − 1 , {\displaystyle {\begin{cases}w^{T}\phi (x_{i})+b\geq 1,&{\text{if }}\quad y_{i}=+1,\\w^{T}\phi (x_{i})+b\leq -1,&{\text{if }}\quad y_{i}=-1,\end{cases}}} which is equivalent to y i [ w T ϕ ( x i ) + b ] ≥ 1 , i = 1 , … , N , {\displaystyle y_{i}\left[{w^{T}\phi (x_{i})+b}\right]\geq 1,\quad i=1,\ldots ,N,} where ϕ ( x ) {\displaystyle \phi (x)} is the nonlinear map from original space to the high- or infinite-dimensional space. === Inseparable data === In case such a separating hyperplane does not exist, we introduce so-called slack variables ξ i {\displaystyle \xi _{i}} such that { y i [ w T ϕ ( x i ) + b ] ≥ 1 − ξ i , i = 1 , … , N , ξ i ≥ 0 , i = 1 , … , N . {\displaystyle {\begin{cases}y_{i}\left[{w^{T}\phi (x_{i})+b}\right]\geq 1-\xi _{i},&i=1,\ldots ,N,\\\xi _{i}\geq 0,&i=1,\ldots ,N.\end{cases}}} According to the structural risk minimization principle, the risk bound is minimized by the following minimization problem: min J 1 ( w , ξ ) = 1 2 w T w + c ∑ i = 1 N ξ i , {\displaystyle \min J_{1}(w,\xi )={\frac {1}{2}}w^{T}w+c\sum \limits _{i=1}^{N}\xi _{i},} Subject to { y i [ w T ϕ ( x i ) + b ] ≥ 1 − ξ i , i = 1 , … , N , ξ i ≥ 0 , i = 1 , … , N , {\displaystyle {\text{Subject to }}{\begin{cases}y_{i}\left[{w^{T}\phi (x_{i})+b}\right]\geq 1-\xi _{i},&i=1,\ldots ,N,\\\xi _{i}\geq 0,&i=1,\ldots ,N,\end{cases}}} To solve this problem, we could construct the Lagrangian function: L 1 ( w , b , ξ , α , β ) = 1 2 w T w + c ∑ i = 1 N ξ i − ∑ i = 1 N α i { y i [ w T ϕ ( x i ) + b ] − 1 + ξ i } − ∑ i = 1 N β i ξ i , {\displaystyle L_{1}(w,b,\xi ,\alpha ,\beta )={\frac {1}{2}}w^{T}w+c\sum \limits _{i=1}^{N}{\xi _{i}}-\sum \limits _{i=1}^{N}\alpha _{i}\left\{y_{i}\left[{w^{T}\phi (x_{i})+b}\right]-1+\xi _{i}\right\}-\sum \limits _{i=1}^{N}\beta _{i}\xi _{i},} where α i ≥ 0 , β i ≥ 0 ( i = 1 , … , N ) {\displaystyle \alpha _{i}\geq 0,\ \beta _{i}\geq 0\ (i=1,\ldots ,N)} are the Lagrangian multipliers. The optimal point will be in the saddle point of the Lagrangian function, and then we obtain By substituting w {\displaystyle w} by its expression in the Lagrangian formed from the appropriate objective and constraints, we will get the following quadratic programming problem: max Q 1 ( α ) = − 1 2 ∑ i , j = 1 N α i α j y i y j K ( x i , x j ) + ∑ i = 1 N α i , {\displaystyle \max Q_{1}(\alpha )=-{\frac {1}{2}}\sum \limits _{i,j=1}^{N}{\alpha _{i}\alpha _{j}y_{i}y_{j}K(x_{i},x_{j})}+\sum \limits _{i=1}^{N}\alpha _{i},} where K ( x i , x j ) = ⟨ ϕ ( x i ) , ϕ ( x j ) ⟩ {\displaystyle K(x_{i},x_{j})=\left\langle \phi (x_{i}),\phi (x_{j})\right\rangle } is called the kernel function. Solving this QP problem subject to constraints in (1), we will get the hyperplane in the high-dimensional space and hence the classifier in the original space. === Least-squares SVM formulation === The least-squares version of the SVM classifier is obtained by reformulating the minimization problem as min J 2 ( w , b , e ) = μ 2 w T w + ζ 2 ∑ i = 1 N e i 2 , {\displaystyle \min J_{2}(w,b,e)={\frac {\mu }{2}}w^{T}w+{\frac {\zeta }{2}}\sum \limits _{i=1}^{N}e_{i}^{2},} subject to the equality constraints y i [ w T ϕ ( x i ) + b ] = 1 − e i , i = 1 , … , N . {\displaystyle y_{i}\left[{w^{T}\phi (x_{i})+b}\right]=1-e_{i},\quad i=1,\ldots ,N.} The least-squares SVM (LS-SVM) classifier formulation above implicitly corresponds to a regression interpretation with binary targets y i = ± 1 {\displaystyle y_{i}=\pm 1} . Using y i 2 = 1 {\displaystyle y_{i}^{2}=1} , we have ∑ i = 1 N e i 2 = ∑ i = 1 N ( y i e i ) 2 = ∑ i = 1 N e i 2 = ∑ i = 1 N ( y i − ( w T ϕ ( x i ) + b ) ) 2 , {\displaystyle \sum \limits _{i=1}^{N}e_{i}^{2}=\sum \limits _{i=1}^{N}(y_{i}e_{i})^{2}=\sum \limits _{i=1}^{N}e_{i}^{2}=\sum \limits _{i=1}^{N}\left(y_{i}-(w^{T}\phi (x_{i})+b)\right)^{2},} with e i = y i − ( w T ϕ ( x i ) + b ) . {\displaystyle e_{i}=y_{i}-(w^{T}\phi (x_{i})+b).} Notice, that this error would also make sense for least-squares data fitting, so that the same end results holds for the regression case. Hence the LS-SVM classifier formulation is equivalent to J 2 ( w , b , e ) = μ E W + ζ E D {\displaystyle J_{2}(w,b,e)=\mu E_{W}+\zeta E_{D}} with E W = 1 2 w T w {\displaystyle E_{W}={\frac {1}{2}}w^{T}w} and E D = 1 2 ∑ i = 1 N e i 2 = 1 2 ∑ i = 1 N ( y i − ( w T ϕ ( x i ) + b ) ) 2 . {\displaystyle E_{D}={\frac {1}{2}}\sum \limits _{i=1}^{N}e_{i}^{2}={\frac {1}{2}}\sum \limits _{i=1}^{N}\left(y_{i}-(w^{T}\phi (x_{i})+b)\right)^{2}.} Both μ {\displaystyle \mu } and ζ {\displaystyle \zeta } should be considered as hyperparameters to tune the amount of regularization versus the sum squared error. The solution does only depend on the ratio γ = ζ / μ {\displaystyle \gamma =\zeta /\mu } , therefore the original formulation uses only γ {\displaystyle \gamma } as tuning parameter. We use both μ {\displaystyle \mu } and ζ {\displaystyle \zeta } as parameters in order to provide a Bayesian interpretation to LS-SVM. The solution of LS-SVM regressor will be obtained after we construct the Lagrangian function: { L 2 ( w , b , e , α ) = J 2 ( w , e ) − ∑ i = 1 N α i { [ w T ϕ ( x i ) + b ] + e i − y i } , = 1 2 w T w + γ 2 ∑ i = 1 N e i 2 − ∑ i = 1 N α i { [ w T ϕ ( x i ) + b ] + e i − y i } , {\displaystyle {\begin{cases}L_{2}(w,b,e,\alpha )\;=J_{2}(w,e)-\sum \limits _{i=1}^{N}\alpha _{i}\left\{{\left[{w^{T}\phi (x_{i})+b}\right]+e_{i}-y_{i}}\right\},\\\quad \quad \quad \quad \quad \;={\frac {1}{2}}w^{T}w+{\frac {\gamma }{2}}\sum \limits _{i=1}^{N}e_{i}^{2}-\sum \limits _{i=1}^{N}\alpha _{i}\left\{\left[w^{T}\phi (x_{i})+b\right]+e_{i}-y_{i}\right\},\end{cases}}} where α i ∈ R {\displaystyle \alpha _{i}\in \mathbb {R} } are the Lagrange multipliers. The conditions for optimality are { ∂ L 2 ∂ w = 0 → w = ∑ i = 1 N α i ϕ ( x i ) , ∂ L 2 ∂ b = 0 → ∑ i = 1 N α i = 0 , ∂ L 2 ∂ e i = 0 → α i = γ e i , i = 1 , … , N , ∂ L 2 ∂ α i = 0 → y i = w T ϕ ( x i ) + b + e i , i = 1 , … , N . {\displaystyle {\begin{cases}{\frac {\partial L_{2}}{\partial w}}=0\quad \to \quad w=\sum \limits _{i=1}^{N}\alpha _{i}\phi (x_{i}),\\{\frac {\partial L_{2}}{\partial b}}=0\quad \to \quad \sum \limits _{i=1}^{N}\alpha _{i}=0,\\{\frac {\partial L_{2}}{\partial e_{i}}}=0\quad \to \quad \alpha _{i}=\gamma e_{i},\;i=1,\ldots ,N,\\{\frac {\partial L_{2}}{\partial \alpha _{i}}}=0\quad \to \quad y_{i}=w^{T}\phi (x_{i})+b+e_{i},\,i=1,\ldots ,N.\end{cases}}} Elimination of w {\displaystyle w} and e {\displaystyle e} will yield a linear system instead of a quadratic programming problem: [ 0 1 N T 1 N Ω + γ − 1 I N ] [ b α ] = [ 0 Y ] , {\displaystyle \left[{\begin{matrix}0&1_{N}^{T}\\1_{N}&\Omega +\gamma ^{-1}I_{N}\end{matrix}}\right]\left[{\begin{matrix}b\\\alpha \end{matrix}}\right]=\left[{\begin{matrix}0\\Y\end{matrix}}\right],} with Y = [ y 1 , … , y N ] T {\displaystyle Y=[y_{1},\ldots ,y_{N}]^{T}} , 1 N = [ 1 , … , 1 ] T {\displaystyle 1_{N}=[1,\ldots ,1]^{T}} and α = [ α 1 , … , α N ] T {\displaystyle \alpha =[\alpha _{1},\ldots ,\alpha _{N}]^{T}} . Here, I N {\displaystyle I_{N}} is an N × N {\displaystyle N\times N} identity matrix, and Ω ∈ R N × N {\displaystyle \Omega \in \mathbb {R} ^{N\times N}} is the kernel matrix defined by Ω i j = ϕ ( x i ) T ϕ ( x j ) = K ( x i , x j ) {\displaystyle \Omega _{ij}=\phi (x_{i})^{T}\phi (x_{j})=K(x_{i},x_{j})} . === Kernel function K === For the kernel function K(•, •) one typically has the following choices: Linear kernel : K ( x , x i ) = x i T x , {\displaystyle K(x,x_{i})=x_{i}^{T}x,} Polynomial kernel of degree d {\displaystyle d} : K ( x , x i ) = ( 1 + x i T x / c ) d , {\displaystyle K(x,x_{i})=\left({1+x_{i}^{T}x/c}\right)^{d},} Radial basis function RBF kernel : K ( x , x i ) = exp ( − ‖ x − x i ‖ 2 / σ 2 ) , {\displaystyle K(x,x_{i})=\exp \left({-\left\|{x-x_{i}}\right\|^{2}/\sigma ^{2}}\right),} MLP kernel : K ( x , x i ) = tanh ( k x i T x + θ ) , {\displaystyle K(x,x_{i})=\tanh \left({k
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