Sparse principal component analysis (SPCA or sparse PCA) is a technique used in statistical analysis and, in particular, in the analysis of multivariate data sets. It extends the classic method of principal component analysis (PCA) for the reduction of dimensionality of data by introducing sparsity structures to the input variables. A particular disadvantage of ordinary PCA is that the principal components are usually linear combinations of all input variables. SPCA overcomes this disadvantage by finding components that are linear combinations of just a few input variables (SPCs). This means that some of the coefficients of the linear combinations defining the SPCs, called loadings, are equal to zero. The number of nonzero loadings is called the cardinality of the SPC.
Mathematical formulation Consider a data matrix, X {\displaystyle X} , where each of the p {\displaystyle p} columns represent an input variable, and each of the n {\displaystyle n} rows represents an independent sample from data population. One assumes each column of X {\displaystyle X} has mean zero, otherwise one can subtract column-wise mean from each element of X {\displaystyle X} . Let Σ = 1 n − 1 X ⊤ X {\displaystyle \Sigma ={\frac {1}{n-1}}X^{\top }X} be the empirical covariance matrix of X {\displaystyle X} , which has dimension p × p {\displaystyle p\times p} . Given an integer k {\displaystyle k} with 1 ≤ k ≤ p {\displaystyle 1\leq k\leq p} , the sparse PCA problem can be formulated as maximizing the variance along a direction represented by vector v ∈ R p {\displaystyle v\in \mathbb {R} ^{p}} while constraining its cardinality:
max v T Σ v subject to ‖ v ‖ 2 = 1 ‖ v ‖ 0 ≤ k . {\displaystyle {\begin{aligned}\max \quad &v^{T}\Sigma v\\{\text{subject to}}\quad &\left\Vert v\right\Vert _{2}=1\\&\left\Vert v\right\Vert _{0}\leq k.\end{aligned}}} Eq. 1 The first constraint specifies that v is a unit vector. In the second constraint, ‖ v ‖ 0 {\displaystyle \left\Vert v\right\Vert _{0}} represents the ℓ 0 {\displaystyle \ell _{0}} pseudo-norm of v, which is defined as the number of its non-zero components. So the second constraint specifies that the number of non-zero components in v is less than or equal to k, which is typically an integer that is much smaller than dimension p. The optimal value of Eq. 1 is known as the k-sparse largest eigenvalue. If one takes k=p, the problem reduces to the ordinary PCA, and the optimal value becomes the largest eigenvalue of covariance matrix Σ. After finding the optimal solution v, one deflates Σ to obtain a new matrix
Σ 1 = Σ − ( v T Σ v ) v v T , {\displaystyle \Sigma _{1}=\Sigma -(v^{T}\Sigma v)vv^{T},}
and iterate this process to obtain further principal components. However, unlike PCA, sparse PCA cannot guarantee that different principal components are orthogonal. In order to achieve orthogonality, additional constraints must be enforced. The following equivalent definition is in matrix form. Let V {\displaystyle V} be a p×p symmetric matrix, one can rewrite the sparse PCA problem as
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