Modes of variation

In statistics, modes of variation are a continuously indexed set of vectors or functions that are centered at a mean and are used to depict the variation in a population or sample. Typically, variation patterns in the data can be decomposed in descending order of eigenvalues with the directions represented by the corresponding eigenvectors or eigenfunctions. Modes of variation provide a visualization of this decomposition and an efficient description of variation around the mean. Both in principal component analysis (PCA) and in functional principal component analysis (FPCA), modes of variation play an important role in visualizing and describing the variation in the data contributed by each eigencomponent. In real-world applications, the eigencomponents and associated modes of variation aid to interpret complex data, especially in exploratory data analysis (EDA).

Formulation Modes of variation are a natural extension of PCA and FPCA.

Modes of variation in PCA If a random vector X = ( X 1 , X 2 , ⋯ , X p ) T {\displaystyle \mathbf {X} =(X_{1},X_{2},\cdots ,X_{p})^{T}} has the mean vector μ p {\displaystyle {\boldsymbol {\mu }}_{p}} , and the covariance matrix Σ p × p {\displaystyle \mathbf {\Sigma } _{p\times p}} with eigenvalues λ 1 ≥ λ 2 ≥ ⋯ ≥ λ p ≥ 0 {\displaystyle \lambda _{1}\geq \lambda _{2}\geq \cdots \geq \lambda _{p}\geq 0} and corresponding orthonormal eigenvectors e 1 , e 2 , ⋯ , e p {\displaystyle \mathbf {e} _{1},\mathbf {e} _{2},\cdots ,\mathbf {e} _{p}} , by eigendecomposition of a real symmetric matrix, the covariance matrix Σ {\displaystyle \mathbf {\Sigma } } can be decomposed as

Σ = Q Λ Q T , {\displaystyle \mathbf {\Sigma } =\mathbf {Q} \mathbf {\Lambda } \mathbf {Q} ^{T},}

where Q {\displaystyle \mathbf {Q} } is an orthogonal matrix whose columns are the eigenvectors of Σ {\displaystyle \mathbf {\Sigma } } , and Λ {\displaystyle \mathbf {\Lambda } } is a diagonal matrix whose entries are the eigenvalues of Σ {\displaystyle \mathbf {\Sigma } } . By the Karhunen–Loève expansion for random vectors, one can express the centered random vector in the eigenbasis

X − μ = ∑ k = 1 p ξ k e k , {\displaystyle \mathbf {X} -{\boldsymbol {\mu }}=\sum _{k=1}^{p}\xi _{k}\mathbf {e} _{k},}

where ξ k = e k T ( X − μ ) {\displaystyle \xi _{k}=\mathbf {e} _{k}^{T}(\mathbf {X} -{\boldsymbol {\mu }})} is the principal component associated with the k {\displaystyle k} -th eigenvector e k {\displaystyle \mathbf {e} _{k}} , with the properties

E ⁡ ( ξ k ) = 0 , Var ⁡ ( ξ k ) = λ k , {\displaystyle \operatorname {E} (\xi _{k})=0,\operatorname {Var} (\xi _{k})=\lambda _{k},} and E ⁡ ( ξ k ξ l ) = 0 for l ≠ k . {\displaystyle \operatorname {E} (\xi _{k}\xi _{l})=0\ {\text{for}}\ l\neq k.}

Then the k {\displaystyle k} -th mode of variation of X {\displaystyle \mathbf {X} } is the set of vectors, indexed by α {\displaystyle \alpha } ,

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