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Record W2033583474 · doi:10.1364/josaa.31.001445

Outlier modeling for spectral data reduction

2014· article· en· W2033583474 on OpenAlexaff
Farnaz Agahian, Brian Funt

Bibliographic record

VenueJournal of the Optical Society of America A · 2014
Typearticle
Languageen
FieldChemistry
TopicSpectroscopy and Chemometric Analyses
Canadian institutionsSimon Fraser University
Fundersnot available
KeywordsMahalanobis distanceOutlierPrincipal component analysisPattern recognition (psychology)Anomaly detectionEstimatorCovarianceComputer scienceArtificial intelligenceMathematicsBasis (linear algebra)AlgorithmStatistics

Abstract

fetched live from OpenAlex

The spectra in spectral reflectance datasets tend to be quite correlated and therefore they can be represented more compactly using standard techniques such as principal components analysis (PCA) as part of a lossy compression strategy. However, the presence of outlier spectra can often increase the overall error of the reconstructed spectra. This paper introduces a new outlier modeling (OM) method that detects, clusters, and separately models outliers with their own set of basis vectors. Outliers are defined in terms of the robust Mahalanobis distance using the fast minimum covariance determinant algorithm as a robust estimator of the multivariate mean and covariance from which it is computed. After removing the outliers from the main dataset, the performance of PCA on the remaining data improves significantly; however, since outlier spectra are a part of the image, they cannot simply be ignored. The solution is to cluster the outliers into a small number of clusters and then model each cluster separately using its own cluster-specific PCA-derived bases. Tests show that OM leads to lower spectral reconstruction errors of reflectance spectra in terms of both normalized RMS and goodness of fit.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.003
metaresearch head score (Gemma)0.009
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.003
Threshold uncertainty score0.013

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0030.009
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.002
Bibliometrics0.0020.003
Science and technology studies0.0010.001
Scholarly communication0.0010.002
Open science0.0020.002
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0010.001

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.039
GPT teacher head0.307
Teacher spread0.268 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations4
Published2014
Admission routes1
Has abstractyes

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Same venueJournal of the Optical Society of America ASame topicSpectroscopy and Chemometric AnalysesFrench-language works237,207