Package: resemble 3.0.1

resemble: Similarity Retrieval and Local Learning for Spectral Chemometrics

Functions for dissimilarity analysis and machine learning in complex spectral data sets, including memory-based learning (MBL), optimal subset search and selection, and retrieval-based modelling with model libraries. Supports local learning, optimisation of spectral libraries, and ensemble prediction from precomputed models. Most of these functions are based on the methods presented in Ramirez-Lopez et al. (2013) <doi:10.1016/j.geoderma.2012.12.014>.

Authors:Leonardo Ramirez-Lopez [aut, cre], Antoine Stevens [aut, ctb], Claudio Orellano [ctb]

resemble_3.0.1.tar.gz
resemble_3.0.1.zip(r-4.7)resemble_3.0.1.zip(r-4.6)resemble_3.0.1.zip(r-4.5)
resemble_3.0.1.tgz(r-4.6-x86_64)resemble_3.0.1.tgz(r-4.6-arm64)resemble_3.0.1.tgz(r-4.5-x86_64)resemble_3.0.1.tgz(r-4.5-arm64)
resemble_3.0.1.tar.gz(r-4.7-arm64)resemble_3.0.1.tar.gz(r-4.7-x86_64)resemble_3.0.1.tar.gz(r-4.6-arm64)resemble_3.0.1.tar.gz(r-4.6-x86_64)
resemble_3.0.1.tgz(r-4.6-emscripten)
manual.pdf |manual.html
card.svg |card.png
resemble/json (API)
NEWS

# Install 'resemble' in R:
install.packages('resemble', repos = c('https://l-ramirez-lopez.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/l-ramirez-lopez/resemble/issues

Pkgdown/docs site:https://l-ramirez-lopez.github.io

Uses libs:
  • openblas– Optimized BLAS
  • c++– GNU Standard C++ Library v3
  • openmp– GCC OpenMP (GOMP) support library

On CRAN:

Conda:

cheminformaticschemometricsevolutionary-algorithmevolutionary-searchinfrared-spectroscopylazy-learninglocal-regressionmachine-learningmemory-based-learningnirpedometricssoil-spectroscopyspectral-dataspectral-libraryspectroscopyquartoopenblascppopenmp

7.88 score 25 stars 47 scripts 690 downloads 30 exports 10 dependencies

Last updated from:d98c1c0c5a. Checks:13 OK. Indexed: yes.

TargetResultTimeFilesSyslog
linux-devel-arm64OK173
linux-devel-x86_64OK177
source / vignettesOK393
linux-release-arm64OK179
linux-release-x86_64OK171
macos-release-arm64OK263
macos-release-x86_64OK238
macos-oldrel-arm64OK154
macos-oldrel-x86_64OK357
windows-develOK196
windows-releaseOK222
windows-oldrelOK249
wasm-releaseOK125

Exports:diss_correlationdiss_cosinediss_euclideandiss_evaluatediss_mahalanobisdiss_pcadiss_plsdissimilarityfit_gprfit_plsfit_waplsgesearchgesearch_controlget_predictionsliblexliblex_controlmblmbl_controlmodelmodel_controlncomp_by_cumvarncomp_by_opcncomp_by_varncomp_fixedneighbors_dissneighbors_kortho_projectionsearch_neighborssidsim_eval

Dependencies:clicodetoolsforeachiteratorslifecyclemathjaxrRcppRcppArmadilloRhpcBLASctlrlang

1 Essential concepts and setup

Rendered fromaa-intro.qmdusingquarto::htmlon May 21 2026.

Last update: 2026-04-21
Started: 2026-04-21

2 Dimensionality reduction of spectral data

Rendered fromab-dimensionality-reduction.qmdusingquarto::htmlon May 21 2026.

Last update: 2026-04-21
Started: 2026-04-21

3 Estimating dissimilarity between spectra

Rendered fromac-estimating-dissimilarity-between-spectra.qmdusingquarto::htmlon May 21 2026.

Last update: 2026-04-21
Started: 2026-04-21

4 Nearest-neighbor search

Rendered fromad-nearest-neighbor-search.qmdusingquarto::htmlon May 21 2026.

Last update: 2026-04-21
Started: 2026-04-21

5 Simple global models

Rendered fromae-simple-global-models.qmdusingquarto::htmlon May 21 2026.

Last update: 2026-04-21
Started: 2026-04-21

6 Classical memory-based learning (local modelling)

Rendered fromaf-classical-mbl.qmdusingquarto::htmlon May 21 2026.

Last update: 2026-04-21
Started: 2026-04-21

7 Evolutionary subset search using gesearch

Rendered fromag-evolutionary-subset-search.qmdusingquarto::htmlon May 21 2026.

Last update: 2026-04-21
Started: 2026-04-21

8 Building a library of models with liblex

Rendered fromah-building-a-library-of-models-with-liblex.qmdusingquarto::htmlon May 21 2026.

Last update: 2026-04-21
Started: 2026-04-21

Readme and manuals

Help Manual

Help pageTopics
Overview of the functions in the resemble packageresemble-package resemble
Correlation dissimilarity method constructordiss_correlation
Cosine dissimilarity method constructordiss_cosine
Euclidean dissimilarity method constructordiss_euclidean
Evaluate dissimilarity matricesdiss_evaluate sim_eval
Mahalanobis dissimilarity method constructordiss_mahalanobis
PCA dissimilarity method constructordiss_pca
PLS dissimilarity method constructordiss_pls
Compute dissimilarity matricesdissimilarity
Local fitting method constructorsfit_gpr fit_methods fit_pls fit_wapls
Evolutionary sample search for context-specific calibrationsgesearch gesearch.default gesearch.formula plot.gesearch predict.gesearch
Control parameters for gesearchgesearch_control
Build a precomputed library of localised experts using memory-based learningliblex plot.liblex predict.liblex
Control parameters for liblexliblex_control
Memory-based learning (mbl)get_predictions mbl plot.mbl
Control parameters for memory-based learningmbl_control
Global spectral calibration modelmodel predict.resemble_model
Control parameters for global model fittingmodel_control
Component selection methodsncomp_by_cumvar ncomp_by_opc ncomp_by_var ncomp_fixed ncomp_selection
Neighbor selection methodsneighbors neighbors_diss neighbors_k
Orthogonal projectionsortho_projection plot.ortho_projection predict.ortho_projection
Search neighbors in a reference setsearch_neighbors
A function for computing the spectral information divergence between spectra (sid)sid