Cheap and Powerful Tests for Supervised Subspaces: Per-Component Inference for PLS

arXiv:2609.36307v1 Announce Type: new Abstract: Partial Least Squares (PLS) regression extracts a few outcome-aligned directions in a high-dimensional X and is widely used across applied science, but inference on the resulting fit is either expensive, biased and discouraged, or absent. We reduce inference to held-out OLS refits of the supervised subspace, a primitive shared by PLS, supervised PCA, and linear probes, and supply two tests using held-out correlations: a Nadeau-Bengio corrected asymptotic t-test as a fast approximation, and a permutation test with comparable power, finite-sample valid under outcome-predictor independence and iid rows. Held-out predictions are unchanged under any orthogonal rebasing of the supervised span, so an interpretable basis such as varimax inherits the joint claim but not a per-axis p-value; per-component claims come from a fixed-sequence test on the PLS extraction order. We validate on synthetic geometries, two NIR chemometric datasets, and cross-lingual word-embedding regressions; the exact test also transfers to supervised PCA and a ridge probe. The proposed tests have more power than CV-permutation-Q^2, at a fraction of its cost. A pre-run check on n and the spectrum of X says when the approximation is safe. We release a Rust library with Python, R, and Julia bindings, plus a Python text pipeline.

Abstract:Partial Least Squares (PLS) regression extracts a few outcome-aligned directions in a high-dimensional X and is widely used across applied science, but inference on the resulting fit is either expensive, biased and discouraged, or absent. We reduce inference to held-out OLS refits of the supervised subspace, a primitive shared by PLS, supervised PCA, and linear probes, and supply two tests using held-out correlations: a Nadeau-Bengio corrected asymptotic t-test as a fast approximation, and a permutation test with comparable power, finite-sample valid under outcome-predictor independence and iid rows. Held-out predictions are unchanged under any orthogonal rebasing of the supervised span, so an interpretable basis such as varimax inherits the joint claim but not a per-axis p-value; per-component claims come from a fixed-sequence test on the PLS extraction order. We validate on synthetic geometries, two NIR chemometric datasets, and cross-lingual word-embedding regressions; the exact test also transfers to supervised PCA and a ridge probe. The proposed tests have more power than CV-permutation-Q^2, at a fraction of its cost. A pre-run check on n and the spectrum of X says when the approximation is safe. We release a Rust library with Python, R, and Julia bindings, plus a Python text pipeline.

41 pages, 5 figures, 28 tables. Accepted at NeurIPS 2026. Code and results: this https URL

Machine Learning (cs.LG); Machine Learning (stat.ML)

arXiv:2609.36307 [cs.LG]

(or arXiv:2609.36307v1 [cs.LG] for this version)

https://doi.org/10.48550/arXiv.2609.36307 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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Cheap and Powerful Tests for Supervised Subspaces: Per-Component Inference for PLS

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