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Regularised Canonical Correlation Analysis: graphical lasso, biplots and beyond

Lennie Wells, Kumar Thurimella, Sergio Bacallado

TL;DR

The paper addresses the challenge of regularising Canonical Correlation Analysis in high-dimensional settings by proposing Graphical CCA (gCCA), which leverages the Graphical Lasso to estimate a sparse precision matrix encoding conditional independencies between two data views. The authors provide a rigorous theoretical framework linking precision-matrix estimation to accurate canonical subspaces via Lipschitz plug-in arguments and perturbation theory, and they position gCCA relative to ridge and sparse CCA methods. A comprehensive evaluation framework combines oracle and empirical criteria for correlation capture and estimation accuracy, with cross-validation guiding parameter selection and a subspace- and biplot-centric interpretation toolkit. The real-data application on a microbiome dataset demonstrates the practical utility of the framework, revealing that many successive directions carry meaningful signal and that variates are more stable than weights, with biplots and overlap matrices providing intuitive visual diagnostics. Overall, the work offers a principled, interpretable approach to high-dimensional CCA, delivering both theoretical guarantees and practical tools to support exploratory data analysis and wider adoption in complex biological datasets.

Abstract

Recent developments in regularized Canonical Correlation Analysis (CCA) promise powerful methods for high-dimensional, multiview data analysis. However, justifying the structural assumptions behind many popular approaches remains a challenge, and features of realistic biological datasets pose practical difficulties that are seldom discussed. We propose a novel CCA estimator rooted in an assumption of conditional independencies and based on the Graphical Lasso. Our method has desirable theoretical guarantees and good empirical performance, demonstrated through extensive simulations and real-world biological datasets. Recognizing the difficulties of model selection in high dimensions and other practical challenges of applying CCA in real-world settings, we introduce a novel framework for evaluating and interpreting regularized CCA models in the context of Exploratory Data Analysis (EDA), which we hope will empower researchers and pave the way for wider adoption.

Regularised Canonical Correlation Analysis: graphical lasso, biplots and beyond

TL;DR

The paper addresses the challenge of regularising Canonical Correlation Analysis in high-dimensional settings by proposing Graphical CCA (gCCA), which leverages the Graphical Lasso to estimate a sparse precision matrix encoding conditional independencies between two data views. The authors provide a rigorous theoretical framework linking precision-matrix estimation to accurate canonical subspaces via Lipschitz plug-in arguments and perturbation theory, and they position gCCA relative to ridge and sparse CCA methods. A comprehensive evaluation framework combines oracle and empirical criteria for correlation capture and estimation accuracy, with cross-validation guiding parameter selection and a subspace- and biplot-centric interpretation toolkit. The real-data application on a microbiome dataset demonstrates the practical utility of the framework, revealing that many successive directions carry meaningful signal and that variates are more stable than weights, with biplots and overlap matrices providing intuitive visual diagnostics. Overall, the work offers a principled, interpretable approach to high-dimensional CCA, delivering both theoretical guarantees and practical tools to support exploratory data analysis and wider adoption in complex biological datasets.

Abstract

Recent developments in regularized Canonical Correlation Analysis (CCA) promise powerful methods for high-dimensional, multiview data analysis. However, justifying the structural assumptions behind many popular approaches remains a challenge, and features of realistic biological datasets pose practical difficulties that are seldom discussed. We propose a novel CCA estimator rooted in an assumption of conditional independencies and based on the Graphical Lasso. Our method has desirable theoretical guarantees and good empirical performance, demonstrated through extensive simulations and real-world biological datasets. Recognizing the difficulties of model selection in high dimensions and other practical challenges of applying CCA in real-world settings, we introduce a novel framework for evaluating and interpreting regularized CCA models in the context of Exploratory Data Analysis (EDA), which we hope will empower researchers and pave the way for wider adoption.
Paper Structure (121 sections, 42 theorems, 183 equations, 28 figures, 3 tables, 3 algorithms)

This paper contains 121 sections, 42 theorems, 183 equations, 28 figures, 3 tables, 3 algorithms.

Key Result

Lemma 1

Let $Z \in \mathbb{R}^{\bar{p}}$ be a Gaussian random vector with (invertible) precision matrix $\Omega$. Then $Z_i \perp Z_j \mid (Z_k)_{k\neq i,j} \iff \Omega_{ij} = 0$.

Figures (28)

  • Figure 1: Oracle metrics on the parametric-bootstrapped Microbiome dataset. Each row corresponds to a different (type of) metric, each column to a different algorithm, and the x-axis to the penalty parameter. See \ref{['tab:metric-summary-estimation', 'tab:metric-summary-correlation']} for a glossary of the legends.
  • Figure 2: Correlation and instability metrics over the regularisation path for the four methods on the parametric bootstrapped Microbiome dataset; error bars for the aggregated quantities; oracle values are dotted for comparison. Top row: sums of squared correlations, as defined by r2sk-cv and r2sk in \ref{['tab:metric-summary-correlation']} for $k=1,3,6$. Middle row: subspace instability in weight space, as defined by wt-Uk-cv and wt-Uk in \ref{['tab:metric-summary-estimation']} for $k=1,3$. Bottom row: subspace instability in variate space, as defined by vt-Uk-cvand vt-Uk in \ref{['tab:metric-summary-estimation']} for $k=1,3$.
  • Figure 3: Top: CV sums of correlations as function of regularisation path for the four methods on the Microbiome dataset; error bars for the aggregated quantities. Bottom: stability both in weight space and variate space along the same trajectories.
  • Figure 4: CV correlations (colours) and average values (black) for successive direction estimates using sCCA, gCCA, rCCA on microbiome dataset; in each case r2s5-cv optimal penalty parameters were used.
  • Figure 5: $\sin^2\Theta$ distances for top-3 variate subspace between pairs of full sample estimates; axes refer to three values of the penalty parameter for each of the three regularisation methods: sCCA, gCCA, and rCCA.
  • ...and 23 more figures

Theorems & Definitions (94)

  • Remark 1
  • Remark 2: Random variables to vectors of samples
  • Lemma 1
  • Proposition 1: Lipschitz plug-in
  • Proposition 1: Graphical CCA guarantee
  • Proposition 1: Sparse directions from sparse precision
  • Proposition 1: Valid aggregation functions
  • Definition 1
  • Definition 2: Overlap matrices
  • Definition 3: Population Correlation Biplot
  • ...and 84 more