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The leading PCA eigenspace maximizes projected variance

Statement

Fix a parameter θ in the model of Covariance and correlation principal component analysis, and let X have finite second moment and covariance matrix Σθ. For every unit vector a∈Rp, Var⁡θ(aTX)=aTΣθa. Consequently, the maximum projected variance is the largest eigenvalue λ1(Σθ), and its maximizing unit vectors are exactly the unit vectors in the leading eigenspace. When all coordinate variances are positive, the same assertion applied to Dθ−1(X−μθ) says that correlation-PCA maximizes the variance of linear scores of the standardized coordinates.

Facts & Assumptions

Given: A parameter θ, a real random vector X∈Rp with finite second moment under Pθ, and a unit vector a∈Rp. For the correlation statement, assume every diagonal entry of Σθ is positive.

[F1]

Covariance and correlation principal component analysis: Σθ is the covariance matrix used for covariance-PCA, and Dθ−1(X−μθ) is the population-standardized vector used for correlation-PCA.

[F2]

Covariance matrix of a finite-dimensional random vector: the entries of Σθ are Eθ[(Xj−μθ,j)(Xk−μθ,k)].

[F3]

Moments, variance, and covariance on a probability space: variance is the expectation of the centered square.

[F4]

Linearity, monotonicity, and the modulus bound for expectation: expectation is linear on integrable finite sums.

Proof

technique · direct
1.1F2F3F4givenalgebra

Put Y=X−μθ. Finite second moments make every coordinate in the finite sums below integrable. Expanding the centered scalar square and using [F4] gives Var⁡θ(aTX)=Eθ[(aTY)2]=∑j,kajakEθ[YjYk]=aTΣθa by [F2] and [F3].

2.1F1F5step 1.1algebra

By [F5], write a=∑j=1pcjej in an orthonormal eigenbasis of Σθ with eigenvalues λ1≥⋯≥λp and ∑jcj2=1. Then aTΣθa=∑jλjcj2≤λ1∑jcj2=λ1. The difference is λ1−aTΣθa=∑j(λ1−λj)cj2, a sum of nonnegative terms, so equality holds exactly when cj=0 for every λj<λ1. This is exactly the unit sphere in the leading eigenspace. Step 1.1 identifies this Rayleigh quotient with projected variance, proving the covariance-PCA assertion.

3.1F1step 1.1step 2.1∎

If all coordinate variances are positive, [F1] defines Zθ=Dθ−1(X−μθ) with covariance Rθ=Dθ−1ΣθDθ−1. The hypotheses of steps 1.1--2.1 hold with Zθ and Rθ in place of X and Σθ, so the leading correlation-PCA eigenspace maximizes the variance of unit linear scores of Zθ.

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