Global bibliography

This page is generated by catalog/scripts/generate_bibliography.py. The historical method citations are lossless unstructured imports; the separate finetuning records are structured only because their tracked BibTeX source and per-entry digests are reviewed by the scientific gate.

Download BibTeX or the preserved software CFF.

Software citation

The CFF artifact is copied verbatim from the repository’s CITATION.cff; it is not reconstructed from inferred fields.

Source provenance

Baseline and donor material is pinned by content digest:

Method-linked historical citations

aom_pls — AOM-PLS (global adaptive operator selection)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Beurier, G., Reiter, R., Noûs, C., Rouan, L. & Cornet, D. (2026). *Reframing preprocessing selection as model-internal calibration in near-infrared spectroscopy: a large-scale benchmark of operator-adaptive PLS and Ridge models*. arXiv:2605.13587. https://arxiv.org/abs/2605.13587.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

aom_preprocess — AOM (Adaptive Operator Mixture) preprocessing bank

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Beurier, G., Reiter, R., Noûs, C., Rouan, L. & Cornet, D. (2026). *Reframing preprocessing selection as model-internal calibration in near-infrared spectroscopy: a large-scale benchmark of operator-adaptive PLS and Ridge models*. arXiv:2605.13587. https://arxiv.org/abs/2605.13587 — introduces operator-adaptive PLS (AOM-PLS / POP-PLS) and the bench against 50+ NIRS datasets that the git-pinned oracle `nirs4all.operators.models.sklearn.aom_pls` is calibrated against.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

approximate_press — Approximate PRESS (leave-one-out by hat-matrix)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Allen, D. M. (1974). *The relationship between variable selection and data augmentation and a method for prediction*. Technometrics 16(1), 125–127.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

bagging_pls — Bagging PLS

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Breiman, L. (1996). *Bagging predictors*. Machine Learning 24(2), 123–140. — adapted for PLS by various chemometric authors.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

bipls_select — biPLS — Backward Interval PLS

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Leardi, R. & Nørgaard, L. (2004). *Sequential application of backward interval partial least squares and genetic algorithms for the selection of relevant spectral regions*. Journal of Chemometrics 18(11), 486–497.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

boosting_pls — Boosting PLS

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Friedman, J. H. (2001). *Greedy function approximation: a gradient boosting machine*. Annals of Statistics 29(5), 1189–1232. — adapted for PLS as a base learner.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

bve_select — BVE — Backward Variable Elimination

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Forina, M., Casolino, M. C. & Pizarro Millán, C. (2004). *Iterative predictor weighting (IPW) PLS: a technique for the elimination of useless predictors in regression problems*. Journal of Chemometrics 18(2), 105–112 (§2).

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

cars_select — CARS — Competitive Adaptive Reweighted Sampling

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Li, H., Liang, Y., Xu, Q. & Cao, D. (2009). *Key wavelengths screening using competitive adaptive reweighted sampling method for multivariate calibration*. Analytica Chimica Acta 648(1), 77–84.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

continuum_regression — Continuum Regression (Stone & Brooks 1990)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Stone, M. & Brooks, R. J. (1990). *Continuum regression: cross-validated sequentially constructed prediction embracing ordinary least squares, partial least squares and principal components regression*. JRSS B 52(2), 237–269.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

cppls — Powered PLS (Indahl 2005)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Indahl, U. G. (2005). *A twist to partial least squares regression*. Journal of Chemometrics 19(1), 32–44.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

di_pls — Domain-Invariant PLS (di-PLS)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Nikzad-Langerodi, R., Zellinger, W., Saminger-Platz, S. & Moser, B. A. (2018). *Domain-invariant partial-least-squares regression*. Analytical Chemistry 90(11), 6693–6701.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

ds — Direct Standardisation

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Wang, Y., Veltkamp, D. J. & Kowalski, B. R. (1991). *Multivariate instrument standardisation*. Analytical Chemistry 63(23), 2750–2756.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

ecr — ECR — Elastic Component Regression

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Liu, Y., Zhang, B. & Hu, J. (2013). *Elastic Component Regression*. Chemometrics and Intelligent Laboratory Systems 124, 73–79. — adapted in pls4all as a continuum/elastic blend.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

emcuve_select — EMCUVE — Ensemble MC-UVE

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Han, Q.-J., Wu, H.-L., Cai, C.-B., Xu, L. & Yu, R.-Q. (2008). *An ensemble of Monte Carlo uninformative variable elimination for wavelength selection*. Analytica Chimica Acta 612(2), 121–125. https://doi.org/10.1016/j.aca.2008.02.032 — extends the MC-UVE procedure of Cai et al. (2008) (`stability_select`) by aggregating independent MC-UVE rounds through a vote rule.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

fused_sparse_pls — Fused-sparse PLS

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Tibshirani, R., Saunders, M., Rosset, S., Zhu, J. & Knight, K. (2005). *Sparsity and smoothness via the fused lasso*. JRSS B 67(1), 91–108. — generalised to PLS loadings.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

ga_select — GA-PLS — Genetic Algorithm variable selection

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Leardi, R. (2000). *Application of genetic algorithm–PLS for feature selection in spectral data sets*. Journal of Chemometrics 14(5–6), 643–655.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

gpr_pls — Gaussian Process on PLS scores

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Bishop, C. M. (2006). *Pattern Recognition and Machine Learning*, §6.4 (Gaussian Processes). — combined with a preliminary PLS dimensionality reduction for spectroscopy.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

group_sparse_pls — Group-sparse PLS (Liquet 2016)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Liquet, B., de Micheaux, P. L., Hejblum, B. P. & Thiébaut, R. (2016). *Group and sparse group partial least squares approaches applied in genomics context*. Bioinformatics 32(1), 35–42.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

interval_select — iPLS — Interval PLS (moving-window)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Nørgaard, L., Saudland, A., Wagner, J., Nielsen, J. P., Munck, L. & Engelsen, S. B. (2000). *Interval partial least-squares regression (iPLS): a comparative chemometric study with an example from near-infrared spectroscopy*. Applied Spectroscopy 54(3), 413–419.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

ipw_select — IPW — Iterative Predictor Weighting

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Forina, M., Casolino, C. & Pizarro Millán, C. (1999). *Iterative predictor weighting (IPW) PLS: a technique for the elimination of useless predictors in regression problems*. Journal of Chemometrics 13(2), 165–184. https://doi.org/10.1002/(SICI)1099-128X(199903/04)13:2<165::AID-CEM535>3.0.CO;2-Y

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

irf_select — IRF — Iterative Random Forest

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Basu, S., Kumbier, K., Brown, J. B. & Yu, B. (2018). *Iterative random forests to discover predictive and stable high-order interactions*. Proceedings of the National Academy of Sciences 115(8), 1943–1948.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

iriv_select — IRIV — Iteratively Retaining Informative Variables

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Yun, Y. H., Wang, W. T., Tan, M. L., Liang, Y. Z., Li, H. D., Cao, D. S., Lu, H. M. & Xu, Q. S. (2014). *A strategy that iteratively retains informative variables for selecting optimal variable subset in multivariate calibration*. Analytica Chimica Acta 807, 36–43.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

kernel_pls_rbf — Kernel PLS (Rosipal & Trejo 2001)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Rosipal, R. & Trejo, L. J. (2001). *Kernel partial least squares regression in reproducing kernel Hilbert space*. Journal of Machine Learning Research 2, 97–123.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

lw_pls — Locally-Weighted PLS (LW-PLS)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Centner, V. & Massart, D. L. (1998). *Optimisation in locally weighted regression*. Analytical Chemistry 70(19), 4206–4211.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

mb_pls — Multi-block PLS (Westerhuis 1998)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Westerhuis, J. A., Kourti, T. & MacGregor, J. F. (1998). *Analysis of multiblock and hierarchical PCA and PLS models*. Journal of Chemometrics 12(5), 301–321.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

mir_pls — MIR-PLS (Mid-InfraRed PLS, regularised)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Sjöblom, J., Svensson, O., Josefson, M., Kullberg, H. & Wold, S. (1998). *An evaluation of orthogonal signal correction applied to calibration transfer of near infrared spectra*. Chemometrics and Intelligent Laboratory Systems 44(1–2), 229–244. — adapted for MIR regularisation conventions.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

missing_aware_nipals — Missing-aware NIPALS

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Walczak, B. & Massart, D. L. (2001). *Dealing with missing data: part I & II*. Chemometrics and Intelligent Laboratory Systems 58(1), 15–27 & 29–42. — applied to the NIPALS PLS algorithm.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

n_pls — N-way PLS (Trilinear PLS, Bro 1996)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Bro, R. (1996). *Multiway calibration. Multilinear PLS*. Journal of Chemometrics 10(1), 47–61.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

o2pls — O2-PLS (two-way orthogonal)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Trygg, J. & Wold, S. (2003). *O2-PLS, a two-block (X–Y) latent variable regression method with an integral OSC filter*. Journal of Chemometrics 17(1), 53–64.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

on_pls — OnPLS (Orthogonal N-block PLS)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Löfstedt, T. & Trygg, J. (2011). *OnPLS — a novel multiblock method for the modelling of predictive and orthogonal variation*. Journal of Chemometrics 25(8), 441–455.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

one_se_rule — One-SE rule for component selection

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Hastie, T., Tibshirani, R. & Friedman, J. (2009). *The Elements of Statistical Learning*, 2nd ed., Springer, §7.10.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

opls — Orthogonal PLS (OPLS)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Trygg, J. & Wold, S. (2002). *Orthogonal projections to latent structures (O-PLS)*. Journal of Chemometrics 16(3), 119–128.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pcr — Principal Components Regression

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Massy, W. F. (1965). *Principal Components Regression in Exploratory Statistical Research*. JASA 60(309), 234–256.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pds — Piecewise Direct Standardisation

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Wang, Y., Veltkamp, D. J. & Kowalski, B. R. (1991). *Multivariate instrument standardization*. Analytical Chemistry 63(23), 2750–2756. https://doi.org/10.1021/ac00023a016 — same paper as `ds`; PDS is introduced in §3 (piecewise local regression with a sliding window of width 2w+1).

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pls — PLS regression (SIMPLS)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

de Jong, S. (1993). *SIMPLS: an alternative approach to partial least squares regression*. Chemometrics and Intelligent Laboratory Systems 18(3), 251–263.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pls_cox — PLS-Cox (survival regression)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Bastien, P., Bertrand, F., Meyer, N. & Maumy-Bertrand, M. (2015). *Deviance residuals-based sparse PLS and sparse kernel PLS regression for censored data*. Bioinformatics 31(3), 397–404.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pls_diagnostic_dmodx — DModX (distance to the model in X)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Eriksson, L., Byrne, T., Johansson, E., Trygg, J. & Vikström, C. (2013). *Multi- and Megavariate Data Analysis. Basic Principles and Applications*, 3rd ed., Umetrics Academy, §4.7.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pls_diagnostic_q — Q residual (squared prediction error)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Jackson, J. E. & Mudholkar, G. S. (1979). *Control procedures for residuals associated with principal component analysis*. Technometrics 21(3), 341–349.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pls_diagnostic_t2 — Hotelling T² score

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Hotelling, H. (1931). *The generalization of Student's ratio*. Annals of Mathematical Statistics 2(3), 360–378. — applied to PLS scores by MacGregor & Kourti 1995.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pls_glm — PLS-GLM (Generalised Linear Model PLS)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Marx, B. D. (1996). *Iteratively reweighted partial least squares estimation for generalized linear regression*. Technometrics 38(4), 374–381.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pls_lda — PLS-LDA

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Barker, M. & Rayens, W. (2003). *Partial least squares for discrimination*. Journal of Chemometrics 17(3), 166–173.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pls_logistic — PLS-logistic regression

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Bastien, P., Esposito Vinzi, V. & Tenenhaus, M. (2005). *PLS generalised linear regression*. Computational Statistics & Data Analysis 48(1), 17–46.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pls_monitoring — PLS monitoring (T² + Q with control limits)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Kourti, T. & MacGregor, J. F. (1996). *Multivariate SPC methods for process and product monitoring and control*. Journal of Quality Technology 28(4), 409–428.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pls_qda — PLS-QDA

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Pérez-Enciso, M. & Tenenhaus, M. (2003). *Prediction of clinical outcome with microarray data: a partial least squares discriminant analysis (PLS-DA) approach*. Human Genetics 112(5–6), 581–592.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pop_pls — POP-PLS (per-component operator selection)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Beurier, G., Reiter, R., Noûs, C., Rouan, L. & Cornet, D. (2026). *Reframing preprocessing selection as model-internal calibration in near-infrared spectroscopy: a large-scale benchmark of operator-adaptive PLS and Ridge models*. arXiv:2605.13587. https://arxiv.org/abs/2605.13587.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

pso_select — PSO-PLS — Particle Swarm Optimisation

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Kennedy, J. & Eberhart, R. (1995). *Particle swarm optimization*. IEEE ICNN 1995, vol. 4, 1942–1948. — binary PSO variant used for variable selection.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

random_frog_select — Random Frog

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Li, H., Xu, Q. & Liang, Y. (2012). *Random frog: an efficient reversible jump Markov chain Monte Carlo-like approach for variable selection*. Analytica Chimica Acta 740, 20–26.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

random_subspace_pls — Random-subspace PLS

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Ho, T. K. (1998). *The random subspace method for constructing decision forests*. IEEE TPAMI 20(8), 832–844. — adapted for PLS regressors.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

randomization_select — Randomisation test (Y-permutation)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Westad, F. & Martens, H. (2000). *Variable selection in near infrared spectroscopy based on significance testing in partial least squares regression*. JNIRS 8(2), 117–124.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

recursive_pls — Recursive (moving-window) PLS

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Helland, K., Berntsen, H. E., Borgen, O. S. & Martens, H. (1992). *Recursive algorithm for partial least squares regression*. Chemometrics and Intelligent Laboratory Systems 14(1–3), 129–137.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

rep_select — REP — Recursive Elimination of Predictors

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Mehmood, T., Liland, K. H., Snipen, L. & Sæbø, S. (2012). *A review of variable selection methods in partial least squares regression*. Chemometrics and Intelligent Laboratory Systems 118, 62–69. https://doi.org/10.1016/j.chemolab.2012.07.010 — same review as `shaving_select`; §3.3 *Recursive elimination* introduces the fixed-count variant implemented here.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

ridge_pls — Ridge-augmented PLS

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Hoerl, A. E. & Kennard, R. W. (1970). *Ridge regression: biased estimation for nonorthogonal problems*. Technometrics 12(1), 55–67. — combined with PLS via Tikhonov regularisation of the inner regression.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

robust_pls — Robust PLS (Partial Robust M-regression)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Serneels, S., Croux, C., Filzmoser, P. & Van Espen, P. J. (2005). *Partial Robust M-Regression*. Chemometrics and Intelligent Laboratory Systems 79(1–2), 55–64.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

rosa — ROSA (Response-Oriented Sequential Alternation)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Liland, K. H. & Næs, T. (2016). *Response-oriented sequential alternation: a fast multiblock regression algorithm*. Journal of Chemometrics 30(11), 651–662.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

scars_select — SCARS — Stability-CARS

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Zheng, K., Li, Q., Wang, J., Geng, J., Cao, P., Sui, T., Wang, X. & Du, Y. (2012). *Stability competitive adaptive reweighted sampling (SCARS) and its applications to multivariate calibration of NIR spectra*. Chemometrics and Intelligent Laboratory Systems 112, 48–54.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

shaving_select — Shaving (recursive elimination)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Mehmood, T., Liland, K. H., Snipen, L. & Sæbø, S. (2012). *A review of variable selection methods in partial least squares regression*. Chemometrics and Intelligent Laboratory Systems 118, 62–69 (§3.2 Shaving).

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

sipls_select — siPLS — Synergy Interval PLS

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Nørgaard, L., Saudland, A., Wagner, J., Nielsen, J. P., Munck, L. & Engelsen, S. B. (2000). *Interval partial least-squares regression (iPLS): a comparative chemometric study with an example from near-infrared spectroscopy*. Applied Spectroscopy 54(3), 413–419 — same paper as `interval_select`; siPLS is the synergy-combinations extension proposed in §3.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

so_pls — Sequential and Orthogonalised PLS (SO-PLS)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Næs, T., Tomic, O., Mevik, B.-H. & Martens, H. (2011). *Path modelling by sequential PLS regression*. Journal of Chemometrics 25(1), 28–40.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

spa_select — SPA — Successive Projections Algorithm

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Araújo, M. C. U., Saldanha, T. C. B., Galvão, R. K. H., Yoneyama, T., Chame, H. C. & Visani, V. (2001). *The successive projections algorithm for variable selection in spectroscopic multicomponent analysis*. Chemometrics and Intelligent Laboratory Systems 57(2), 65–73.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

sparse_pls_da — Sparse PLS-DA (Lê Cao 2008)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Lê Cao, K.-A., Rossouw, D., Robert-Granié, C. & Besse, P. (2008). *A sparse PLS for variable selection when integrating omics data*. Statistical Applications in Genetics and Molecular Biology 7(1).

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

sparse_simpls — Sparse SIMPLS (Chun & Keleş 2010)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Chun, H. & Keleş, S. (2010). *Sparse partial least squares regression for simultaneous dimension reduction and variable selection*. JRSS B 72(1), 3–25.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

st_select — ST-PLS — Score Threshold selection

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Mehmood, T., Liland, K. H., Snipen, L. & Sæbø, S. (2012). *A review of variable selection methods in partial least squares regression*. Chemometrics and Intelligent Laboratory Systems 118, 62–69. https://doi.org/10.1016/j.chemolab.2012.07.010 — same review as `shaving_select`; §3.4 *Score-threshold methods* covers the deterministic-threshold family implemented here.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

stability_select — MC-UVE (Monte-Carlo coefficient stability)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Cai, W., Li, Y. & Shao, X. (2008). *A variable selection method based on uninformative variable elimination for multivariate calibration of near-infrared spectra*. Chemometrics and Intelligent Laboratory Systems 90(2), 188–194.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

t2_select — Hotelling T² loading selection

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Mehmood, T. (2016). *Hotelling T² based variable selection in partial least squares regression*. Chemometrics and Intelligent Laboratory Systems 154, 23–28. https://doi.org/10.1016/j.chemolab.2016.03.020 — proposes T²-PLS, the loading-weights-level Hotelling T² selector. See also Wold, Sjöström & Eriksson (2001), Chemometrics and Intelligent Laboratory Systems 58(2), 109–130 §6.2 for the original T²-vs-VIP discussion in PLS.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

uve_select — UVE — Uninformative Variable Elimination

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Centner, V., Massart, D. L., de Noord, O. E., de Jong, S., Vandeginste, B. M. & Sterna, C. (1996). *Elimination of uninformative variables for multivariate calibration*. Analytical Chemistry 68(21), 3851–3858.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

variable_select_coef — Coefficient-magnitude selection

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Martens, H. & Næs, T. (1989). *Multivariate Calibration*, §5. — the simplest ranking baseline.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

variable_select_sr — Selectivity Ratio

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Rajalahti, T., Arneberg, R., Berven, F. S., Myhr, K.-M., Ulvik, R. J. & Kvalheim, O. M. (2009). *Biomarker discovery in mass spectral profiles by means of selectivity ratio plot*. Chemometrics and Intelligent Laboratory Systems 95(1), 35–48.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

variable_select_vip — VIP (Variable Importance in Projection)

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Wold, S., Sjöström, M. & Eriksson, L. (2001). *PLS-regression: a basic tool of chemometrics*. Chemometrics and Intelligent Laboratory Systems 58(2), 109–130.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

vip_spa_select — VIP-seeded SPA

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Hybrid heuristic combining VIP ranking and the Successive Projections Algorithm. See registry notes; no single canonical paper.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

vissa_select — VISSA — Variable Iterative Space-Shrinkage

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Deng, B. C., Yun, Y. H., Liang, Y. Z. & Yi, L. Z. (2014). *A new strategy to prevent over-fitting in partial least squares models based on model population analysis*. Analytica Chimica Acta 880, 32–41.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

weighted_pls — Sample-weighted PLS

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Martens, H. & Næs, T. (1989). *Multivariate Calibration*. Wiley. §4.5 'Weighted regression for non-i.i.d. errors'.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

wvc_select — WVC — Weighted Variable Contribution

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Andries, J. P. M. & Vander Heyden, Y. (2011). *Improved variable reduction in partial least squares modelling based on predictive-property-ranked variables and adaptation of partial least squares complexity*. Analytica Chimica Acta 705(1–2), 292–305.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

wvc_threshold_select — WVC-threshold selection

Historical citation (verbatim; links and DOI text remain literal here to avoid MyST auto-linkification):

Andries, J. P. M. & Vander Heyden, Y. (2011). *Improved variable reduction in partial least squares modelling based on predictive-property-ranked variables and adaptation of partial least squares complexity*. Analytica Chimica Acta 705(1–2), 292–305. https://doi.org/10.1016/j.aca.2011.06.037 — same paper as `wvc_select`; introduces both the top-$k$ ranking and the threshold / factor-of-mean rules used here.

Structured fields unavailable in the historical source: authors, title, year, journal, doi, url, bibtex.

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