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A cubic spline with knots $x_1<\cdots <x_n$ is twice continuously differentiable and restricts to a polynomial of degree at most three between consecutive knots. It is a natural cubic spline when it is linear outside $[x_1,x_n]$, equivalently when its second derivative vanishes at the two outer knots and on the exterior intervals.

Let $s$ be the natural cubic spline interpolating prescribed values and let $\tilde{g}=s+h$ be any other interpolant in $S_2[a,b]$. Then $h(x_i)=0$. Piecewise integration by parts, using that $s^{\prime \prime \prime \prime }=0$ between knots, $s^{\prime \prime }$ is continuous, $s^{\prime \prime }=0$ on the exterior intervals, and every jump of $s^{\prime \prime \prime }$ is multiplied by $h(x_i)=0$, givesConsequentlyEquality forces $h^{\prime \prime }=0$ almost everywhere. Then $h$ is affine and its zeros at at least two distinct knots force $h=0$, proving uniqueness.

For the penalized problem, fix a vector $u=(u_1,\dots ,u_n{)}^T$ of fitted values. The preceding variational result says that its natural spline interpolant has the least roughness among all functions taking those values, and by assumption that roughness is $u^{T}Ku$. The infinite-dimensional problem therefore reduces toBecause $K$ is positive semidefinite, $I+\lambda K$ is positive definite. The unique fitted-value vector isand ${\hat{g}}_{\lambda }$ is its unique natural cubic spline interpolant.

For Leave-one-out cross-validation, let ${\hat{g}}_{-i,\lambda }$ minimizeand defineIf $u_j^{(-i)}={\hat{g}}_{-i,\lambda }(x_j)$, its normal equations sayThus $u^{(-i)}=A_{\lambda }{\tilde{Y}}^{(i)}$, whereTaking the $i$th coordinate and writing $\hat{u}=A_{\lambda }Y$ givesTherefore one spline fit and the diagonal of its smoothing matrix give