David J. Olive's contribution to the Discussion of “On optimal linear prediction” by I. Helland

It was interesting to see how the k $$ k $$ -component PLS estimator β ^ k PLS $$ {\hat{\boldsymbol{\beta}}}_{k\mathrm{PLS}} $$ behaves under assumption H m $$ {H}_m $$ for m < p $$ m<p $$ : β = ∑ j = 1 p γ j d j $$ \boldsymbol{\beta} ={\sum}_{j=1}^p{\gamma}_j{\boldsymbol{d}}_j $$ with exactly m $$ m $$ nonzero terms. Some simple results hold for model selection estimators when the number of predictors p $$ p $$ is fixed. Several methods, including PLS, use p $$ p $$ linear combinations η 1 T x , … , η p T x $$ {\boldsymbol{\eta}}_1^T\boldsymbol{x},\dots, {\boldsymbol{\eta}}_p^T\boldsymbol{x} $$ . Performing the ordinary least squares (OLS) regression of Y $$ Y $$ on ( η ^ 1 T x , η ^ 2 T x , … , η ^ k T x ) $$ \left({\hat{\boldsymbol{\eta}}}_1^T\boldsymbol{x},{\hat{\boldsymbol{\eta}}}_2^T\boldsymbol{x},\dots, {\hat{\boldsymbol{\eta}}}_k^T\boldsymbol{x}\right) $$ and a constant gives the k $$ k $$ -component estimator. The PLS literature often assumes (a1): Y | x = α + x T β k PLS + e $$ Y\mid \boldsymbol{x}=\alpha +{\boldsymbol{x}}^T{\boldsymbol{\beta}}_{k\mathrm{PLS}}+e $$ for some k $$ k $$ . If Y | x = α + x T β + e $$ Y\mid \boldsymbol{x}=\alpha +{\boldsymbol{x}}^T\boldsymbol{\beta} +e $$ , then under mild regularity conditions, β = β OLS $$ \boldsymbol{\beta} ={\boldsymbol{\beta}}_{\mathrm{OLS}} $$ . Hence assumption (a1) forces β k PLS = β OLS $$ {\boldsymbol{\beta}}_{k\mathrm{PLS}}={\boldsymbol{\beta}}_{\mathrm{OLS}} $$ . For k = 1 $$ k=1 $$ , (a1) forces β OLS = β 1 PLS = $$ {\boldsymbol{\beta}}_{\mathrm{OLS}}={\boldsymbol{\beta}}_{1\mathrm{PLS}}= $$ an eigenvector of the covariance matrix C o v ( x ) = Σ x $$ Cov\left(\boldsymbol{x}\right)={\boldsymbol{\Sigma}}_{\boldsymbol{x}} $$ . Assume instead that the cases ( x i , Y i ) $$ \left({\boldsymbol{x}}_i,{Y}_i\right) $$ are iid with E ( Y ) = μ Y $$ E(Y)={\mu}_Y $$ and E ( x ) = μ x $$ E\left(\boldsymbol{x}\right)={\boldsymbol{\mu}}_{\boldsymbol{x}} $$ . Let C o v ( x , Y ) = Σ x Y $$ Cov\left(\boldsymbol{x},Y\right)={\boldsymbol{\Sigma}}_{\boldsymbol{x}Y} $$ . Then β = β OLS = Σ x − 1 Σ x Y $$ \boldsymbol{\beta} ={\boldsymbol{\beta}}_{\mathrm{OLS}}={\boldsymbol{\Sigma}}_{\boldsymbol{x}}^{-1}{\boldsymbol{\Sigma}}_{\boldsymbol{x}Y} $$ , β 1 PLS = θ Σ x Y $$ {\boldsymbol{\beta}}_{1\mathrm{PLS}}=\theta {\boldsymbol{\Sigma}}_{\boldsymbol{x}Y} $$ where θ $$ \theta $$ is a constant, and Σ x Y = Σ x β $$ {\boldsymbol{\Sigma}}_{\boldsymbol{x}Y}={\boldsymbol{\Sigma}}_{\boldsymbol{x}}\boldsymbol{\beta} $$ , even when heterogeneity is present. Since Σ x $$ {\boldsymbol{\Sigma}}_{\boldsymbol{x}} $$ is positive definite, β = 0 $$ \boldsymbol{\beta} =\mathbf{0} $$ iff Σ x Y = 0 . $$ {\boldsymbol{\Sigma}}_{\boldsymbol{x}Y}=\mathbf{0}. $$ This hypothesis can be tested by applying a one sample test to v i = ( x i − x ‾ ) ( Y i − Y ‾ ) $$ {\boldsymbol{v}}_i=\left({\boldsymbol{x}}_i-\overline{\boldsymbol{x}}\right)\left({Y}_i-\overline{Y}\right) $$ for i = 1 , … , n $$ i=1,\dots, n $$ . See Olive and Zhang (2025), Olive et al. (2025), and Abid et al. (2025). Let an OLS working model for β ^ k P L S $$ {\hat{\boldsymbol{\beta}}}_{kPLS} $$ be Y i = α k + θ k 1 W 1 i + ⋯ + θ k k W k i + e k i $$ {Y}_i={\alpha}_k+{\theta}_{k1}{W}_{1i}+\cdots +{\theta}_{kk}{W}_{ki}+{e}_{ki} $$ where W j i = x i T Σ ^ x j − 1 Σ ^ x Y $$ {W}_{ji}={\boldsymbol{x}}_i^T{\hat{\boldsymbol{\Sigma}}}_{\boldsymbol{x}}^{j-1}{\hat{\boldsymbol{\Sigma}}}_{\boldsymbol{x}Y} $$ with Σ ^ x 0 = Σ x 0 = I p $$ {\hat{\boldsymbol{\Sigma}}}_{\boldsymbol{x}}^0={\boldsymbol{\Sigma}}_{\boldsymbol{x}}^0={\boldsymbol{I}}_p $$ . Then β ^ k PLS = ( ∑ j = 1 k θ ^ k j Σ ^ x j − 1 ) Σ ^ x Y $$ {\hat{\boldsymbol{\beta}}}_{k\mathrm{PLS}}=\left({\sum}_{j=1}^k{\hat{\theta}}_{kj}{\hat{\boldsymbol{\Sigma}}}_{\boldsymbol{x}}^{j-1}\right){\hat{\boldsymbol{\Sigma}}}_{\boldsymbol{x}Y} $$ and β k PLS = ( ∑ j = 1 k θ k j Σ x j − 1 ) Σ x Y $$ {\boldsymbol{\beta}}_{k\mathrm{PLS}}=\left({\sum}_{j=1}^k{\theta}_{kj}{\boldsymbol{\Sigma}}_{\boldsymbol{x}}^{j-1}\right){\boldsymbol{\Sigma}}_{\boldsymbol{x}Y} $$ (under iid cases) using Y = α k PLS + x T β k PLS + e k $$ Y={\alpha}_{k\mathrm{PLS}}+{\boldsymbol{x}}^T{\boldsymbol{\beta}}_{k\mathrm{PLS}}+{e}_k $$ . This result suggests that the β k PLS $$ {\boldsymbol{\beta}}_{k\mathrm{PLS}} $$ are typically different for each k = 1 , … , p $$ k=1,\dots, p $$ , but β k PLS = β q PLS $$ {\boldsymbol{\beta}}_{k\mathrm{PLS}}={\boldsymbol{\beta}}_{q\mathrm{PLS}} $$ for k ≤ q ≤ p $$ k\le q\le p $$ if θ p j = 0 $$ {\theta}_{pj}=0 $$ for k + 1 ≤ j ≤ p $$ k+1\le j\le p $$ . The assumption H m $$ {H}_m $$ appears to be strong since β ∈ ℝ p $$ \boldsymbol{\beta} \in {\mathbb{R}}^p $$ is a much weaker assumption than β ∈ ℝ m $$ \boldsymbol{\beta} \in {\mathbb{R}}^m $$ where 1 ≤ m < p . $$ 1\le m<p. $$ The model selection result of Equation (1) implies that H m $$ {H}_m $$ is approximately true in that θ p j ≈ 0 $$ {\theta}_{pj}\approx 0 $$ for k ∗ + 1 ≤ j ≤ p $$ {k}^{\ast }+1\le j\le p $$ for some m = k ∗ < p $$ m={k}^{\ast }<p $$ . Hence the predictors W j $$ {W}_j $$ are “weak" or “almost immaterial” for m + 1 ≤ j ≤ p $$ m+1\le j\le p $$ .

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Journal
Scandinavian Journal of Statistics
Published
2025-12-03
DOI
https://doi.org/10.1111/sjos.70037
Primary Topic
Spectroscopy and Chemometric Analyses
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article
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article

David J. Olive's contribution to the Discussion of “On optimal linear prediction” by I. Helland

David J. Olive
Scandinavian Journal of Statistics
Spectroscopy and Chemometric Analyses
article

David J. Olive's contribution to the Discussion of “On optimal linear prediction” by I. Helland

David J. Olive
article en

Abstract

It was interesting to see how the k $$ k $$ -component PLS estimator β ^ k PLS $$ {\hat{\boldsymbol{\beta}}}_{k\mathrm{PLS}} $$ behaves under assumption H m $$ {H}_m $$ for m < p $$ m<p $$ : β = ∑ j = 1 p γ j d j $$ \boldsymbol{\beta} ={\sum}_{j=1}^p{\gamma}_j{\boldsymbol{d}}_j $$ with exactly m $$ m $$ nonzero terms. Some simple results hold for model selection estimators when the number of predictors p $$ p $$ is fixed. Several methods, including PLS, use p $$ p $$ linear combinations η 1 T x , … , η p T x $$ {\boldsymbol{\eta}}_1^T\boldsymbol{x},\dots, {\boldsymbol{\eta}}_p^T\boldsymbol{x} $$ . Performing the ordinary least squares (OLS) regression of Y $$ Y $$ on ( η ^ 1 T x , η ^ 2 T x , … , η ^ k T x ) $$ \left({\hat{\boldsymbol{\eta}}}_1^T\boldsymbol{x},{\hat{\boldsymbol{\eta}}}_2^T\boldsymbol{x},\dots, {\hat{\boldsymbol{\eta}}}_k^T\boldsymbol{x}\right) $$ and a constant gives the k $$ k $$ -component estimator. The PLS literature often assumes (a1): Y | x = α + x T β k PLS + e $$ Y\mid \boldsymbol{x}=\alpha +{\boldsymbol{x}}^T{\boldsymbol{\beta}}_{k\mathrm{PLS}}+e $$ for some k $$ k $$ . If Y | x = α + x T β + e $$ Y\mid \boldsymbol{x}=\alpha +{\boldsymbol{x}}^T\boldsymbol{\beta} +e $$ , then under mild regularity conditions, β = β OLS $$ \boldsymbol{\beta} ={\boldsymbol{\beta}}_{\mathrm{OLS}} $$ . Hence assumption (a1) forces β k PLS = β OLS $$ {\boldsymbol{\beta}}_{k\mathrm{PLS}}={\boldsymbol{\beta}}_{\mathrm{OLS}} $$ . For k = 1 $$ k=1 $$ , (a1) forces β OLS = β 1 PLS = $$ {\boldsymbol{\beta}}_{\mathrm{OLS}}={\boldsymbol{\beta}}_{1\mathrm{PLS}}= $$ an eigenvector of the covariance matrix C o v ( x ) = Σ x $$ Cov\left(\boldsymbol{x}\right)={\boldsymbol{\Sigma}}_{\boldsymbol{x}} $$ . Assume instead that the cases ( x i , Y i ) $$ \left({\boldsymbol{x}}_i,{Y}_i\right) $$ are iid with E ( Y ) = μ Y $$ E(Y)={\mu}_Y $$ and E ( x ) = μ x $$ E\left(\boldsymbol{x}\right)={\boldsymbol{\mu}}_{\boldsymbol{x}} $$ . Let C o v ( x , Y ) = Σ x Y $$ Cov\left(\boldsymbol{x},Y\right)={\boldsymbol{\Sigma}}_{\boldsymbol{x}Y} $$ . Then β = β OLS = Σ x − 1 Σ x Y $$ \boldsymbol{\beta} ={\boldsymbol{\beta}}_{\mathrm{OLS}}={\boldsymbol{\Sigma}}_{\boldsymbol{x}}^{-1}{\boldsymbol{\Sigma}}_{\boldsymbol{x}Y} $$ , β 1 PLS = θ Σ x Y $$ {\boldsymbol{\beta}}_{1\mathrm{PLS}}=\theta {\boldsymbol{\Sigma}}_{\boldsymbol{x}Y} $$ where θ $$ \theta $$ is a constant, and Σ x Y = Σ x β $$ {\boldsymbol{\Sigma}}_{\boldsymbol{x}Y}={\boldsymbol{\Sigma}}_{\boldsymbol{x}}\boldsymbol{\beta} $$ , even when heterogeneity is present. Since Σ x $$ {\boldsymbol{\Sigma}}_{\boldsymbol{x}} $$ is positive definite, β = 0 $$ \boldsymbol{\beta} =\mathbf{0} $$ iff Σ x Y = 0 . $$ {\boldsymbol{\Sigma}}_{\boldsymbol{x}Y}=\mathbf{0}. $$ This hypothesis can be tested by applying a one sample test to v i = ( x i − x ‾ ) ( Y i − Y ‾ ) $$ {\boldsymbol{v}}_i=\left({\boldsymbol{x}}_i-\overline{\boldsymbol{x}}\right)\left({Y}_i-\overline{Y}\right) $$ for i = 1 , … , n $$ i=1,\dots, n $$ . See Olive and Zhang (2025), Olive et al. (2025), and Abid et al. (2025). Let an OLS working model for β ^ k P L S $$ {\hat{\boldsymbol{\beta}}}_{kPLS} $$ be Y i = α k + θ k 1 W 1 i + ⋯ + θ k k W k i + e k i $$ {Y}_i={\alpha}_k+{\theta}_{k1}{W}_{1i}+\cdots +{\theta}_{kk}{W}_{ki}+{e}_{ki} $$ where W j i = x i T Σ ^ x j − 1 Σ ^ x Y $$ {W}_{ji}={\boldsymbol{x}}_i^T{\hat{\boldsymbol{\Sigma}}}_{\boldsymbol{x}}^{j-1}{\hat{\boldsymbol{\Sigma}}}_{\boldsymbol{x}Y} $$ with Σ ^ x 0 = Σ x 0 = I p $$ {\hat{\boldsymbol{\Sigma}}}_{\boldsymbol{x}}^0={\boldsymbol{\Sigma}}_{\boldsymbol{x}}^0={\boldsymbol{I}}_p $$ . Then β ^ k PLS = ( ∑ j = 1 k θ ^ k j Σ ^ x j − 1 ) Σ ^ x Y $$ {\hat{\boldsymbol{\beta}}}_{k\mathrm{PLS}}=\left({\sum}_{j=1}^k{\hat{\theta}}_{kj}{\hat{\boldsymbol{\Sigma}}}_{\boldsymbol{x}}^{j-1}\right){\hat{\boldsymbol{\Sigma}}}_{\boldsymbol{x}Y} $$ and β k PLS = ( ∑ j = 1 k θ k j Σ x j − 1 ) Σ x Y $$ {\boldsymbol{\beta}}_{k\mathrm{PLS}}=\left({\sum}_{j=1}^k{\theta}_{kj}{\boldsymbol{\Sigma}}_{\boldsymbol{x}}^{j-1}\right){\boldsymbol{\Sigma}}_{\boldsymbol{x}Y} $$ (under iid cases) using Y = α k PLS + x T β k PLS + e k $$ Y={\alpha}_{k\mathrm{PLS}}+{\boldsymbol{x}}^T{\boldsymbol{\beta}}_{k\mathrm{PLS}}+{e}_k $$ . This result suggests that the β k PLS $$ {\boldsymbol{\beta}}_{k\mathrm{PLS}} $$ are typically different for each k = 1 , … , p $$ k=1,\dots, p $$ , but β k PLS = β q PLS $$ {\boldsymbol{\beta}}_{k\mathrm{PLS}}={\boldsymbol{\beta}}_{q\mathrm{PLS}} $$ for k ≤ q ≤ p $$ k\le q\le p $$ if θ p j = 0 $$ {\theta}_{pj}=0 $$ for k + 1 ≤ j ≤ p $$ k+1\le j\le p $$ . The assumption H m $$ {H}_m $$ appears to be strong since β ∈ ℝ p $$ \boldsymbol{\beta} \in {\mathbb{R}}^p $$ is a much weaker assumption than β ∈ ℝ m $$ \boldsymbol{\beta} \in {\mathbb{R}}^m $$ where 1 ≤ m < p . $$ 1\le m<p. $$ The model selection result of Equation (1) implies that H m $$ {H}_m $$ is approximately true in that θ p j ≈ 0 $$ {\theta}_{pj}\approx 0 $$ for k ∗ + 1 ≤ j ≤ p $$ {k}^{\ast }+1\le j\le p $$ for some m = k ∗ < p $$ m={k}^{\ast }<p $$ . Hence the predictors W j $$ {W}_j $$ are “weak" or “almost immaterial” for m + 1 ≤ j ≤ p $$ m+1\le j\le p $$ .

Scandinavian Journal of StatisticsVol. 53(1)
Southern Illinois University Carbondale (US)
Openalex Percentile: Top 59%
Spectroscopy and Chemometric Analyses
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