principal component analysis

  • Derivation (method of Lagrangian multiplier)

Derivation

First step:

  • Find α k ′ x \bm \alpha'_k \bm x αkx that maximises var ( α k ′ x ) \text{var}(\bm \alpha'_k \bm x) var(αkx)
  • Choose normalisation constraint α k ′ α k = 1 \bm \alpha'_k \bm \alpha_k = 1 αkαk=1
    max ⁡ α k ′ Σ α k − λ ( α k ′ α k − 1 ) \max \bm \alpha'_k \bm \Sigma \bm \alpha_k - \lambda (\bm \alpha'_k \bm \alpha_k - 1) maxαkΣαkλ(αkαk1)

Σ α k = λ α k   ( eigenvector equation ) \hspace{5em} \bm \Sigma \bm \alpha_k = \lambda \bm \alpha_k \ (\text{eigenvector equation}) Σαk=λαk (eigenvector equation)

Since var ( α k ′ x ) = λ α k ′ α k = λ \text{var}(\bm \alpha'_k \bm x) = \lambda \bm \alpha_k' \bm \alpha_k=\lambda var(αkx)=λαkαk=λ, its maximum takes place when λ \lambda λ is the largest eigenvalue of Σ \bm \Sigma Σ and hence the first principal component is set as the largest eigenvector e 1 \bm e_1 e1.

Second step:

  • Additional constraint: cov ( α 1 ′ x , α 2 ′ x ) = α 2 ′ Σ α 1 = λ 1 α 2 ′ α 1 = 0 \text{cov}(\bm \alpha'_1 \bm x, \bm \alpha'_2 \bm x) = \bm \alpha'_2 \bm \Sigma \bm \alpha_1 = \lambda_1 \bm \alpha'_2 \bm \alpha_1=0 cov(α1x,α2x)=α2Σα1=λ1α2α1=0

max ⁡ α 2 ′ Σ α 2 − λ 2 ( α 2 ′ α 2 − 1 ) − ϕ α 2 ′ α 1 ∂ ∂ α 2 : Σ α 2 − λ 2 α 2 − ϕ α 1 = 0 α 1 ′ Σ α 2 − λ 2 α 1 ′ α 2 − ϕ α 1 ′ α 1 = 0 ⇒ 0 − 0 − ϕ α 1 ′ α 1 = 0 ⇒ ϕ = 0 ⇒ Σ α 2 − λ 2 α 2 = 0 \begin{aligned} \max \bm \alpha'_2 &\bm \Sigma \bm \alpha_2 - \lambda_2 (\bm \alpha'_2 \bm \alpha_2 - 1) - \phi \bm \alpha'_2 \bm \alpha_1\\ \frac{\partial}{\partial \bm \alpha_2}: &\bm \Sigma \bm \alpha_2 - \lambda_2 \bm \alpha_2 - \phi \bm \alpha_1 =0\\ &\bm \alpha_1' \bm \Sigma \bm \alpha_2 - \lambda_2 \bm \alpha_1' \bm \alpha_2 - \phi \bm \alpha_1' \bm \alpha_1 =0\\ \Rightarrow & 0 - 0 - \phi \bm \alpha_1' \bm \alpha_1 =0 \\ \Rightarrow &\phi = 0 \\ \Rightarrow &\bm \Sigma \bm \alpha_2 - \lambda_2 \bm \alpha_2=0 \end{aligned} maxα2α2:Σα2λ2(α2α21)ϕα2α1Σα2λ2α2ϕα1=0α1Σα2λ2α1α2ϕα1α1=000ϕα1α1=0ϕ=0Σα2λ2α2=0

参考文献

  1. Frank Wood, Principal Component Analysis, Columbia University http://www.stat.columbia.edu/~fwood/Teaching/w4315/Fall2009/pca.pdf
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