A real positive-semidefinite kernel is a symmetric function such that every finite Gram matrix is positive semidefinite. The Moore-Aronszajn theorem says that there are a Hilbert space and a feature map such that
Equivalently, can be chosen as the unique Reproducing-kernel Hilbert space with reproducing kernel .
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Let be the standard orthonormal basis of and define
Then
Thus is a positive-semidefinite kernel.
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The empirical kernel covariance operator is self-adjoint and positive semidefinite. Maximize subject to . The first variation of the Lagrange multiplier functional gives
so . Taking the inner product with gives
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Positive definiteness of makes the vectors linearly independent. In particular , so the maximum Rayleigh quotient is positive and . The eigenvector equation gives
which lies in their span. Hence for some .
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Substituting into gives
Linear independence yields . The unit-norm constraint gives
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The feature space may be extremely high-dimensional or infinite-dimensional, and may be known only implicitly. Instead, compute the leading eigenvector of the kernel matrix , normalize it by , and use the kernel trick:
This requires only kernel evaluations.
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Kernel principal component analysis can represent nonlinear low-dimensional structure by performing linear PCA in a nonlinear feature space. It can also work directly with structured objects such as strings through a kernel, without assigning them explicit finite-dimensional coordinates. Both capabilities are unavailable to ordinary linear PCA on the original variables.
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