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Record W4388294481 · doi:10.1002/jrs.6611

Machine learning methods applied to combined Raman and LIBS spectra: Implications for mineral discrimination in planetary missions

2023· article· en· W4388294481 on OpenAlexaff
Sofía Julve‐Gonzalez, J. A. Manrique, Marco Veneranda, Elena Pascual‐Sánchez, Aurelio Sanz‐Arranz, Menelaos Konstantinidis, E.A. Lalla, María E. Charro, Eduardo Rodríguez Gutiez, José M. Lopez‐Rodríguez, J. F. Sanz‐Requena, Jaime Delgado Iglesias, Manuel Ángel González, F. Rull, G. López-Reyes

Bibliographic record

VenueJournal of Raman Spectroscopy · 2023
Typearticle
Languageen
FieldEngineering
TopicLaser-induced spectroscopy and plasma
Canadian institutionsYork University
FundersAgencia Estatal de InvestigaciónMinisterio de Economía y CompetitividadEuropean Commission
KeywordsRaman spectroscopyMars Exploration ProgramLaser-induced breakdown spectroscopySupport vector machineArtificial intelligenceCharacterization (materials science)CalciteMineralMachine learningAnalytical Chemistry (journal)Artificial neural networkMaterials scienceSpectroscopyPattern recognition (psychology)Computer scienceBiological systemMineralogyChemistryNanotechnologyOpticsPhysicsEnvironmental chemistryAstrobiology

Abstract

fetched live from OpenAlex

Abstract The combined analysis of geological targets by complementary spectroscopic techniques could enhance the characterization of the mineral phases found on Mars. This is indeed the case with the SuperCam instrument onboard the Perseverance rover. In this framework, the present study seeks to evaluate and compare multiple machine learning techniques for the characterization of carbonate minerals based on Raman‐LIBS (Laser‐Induced Breakdown Spectroscopy) spectroscopic data. To do so, a Ca‐Mg prediction curve was created by mixing hydromagnesite and calcite at different concentration ratios. After their characterization by Raman and LIBS spectroscopy, different multivariable machine learning (Gaussian process regression, support vector machines, ensembles of trees, and artificial neural networks) were used to predict the concentration ratio of each sample from their respective datasets. The results obtained by separately analyzing Raman and LIBS data were then compared to those obtained by combining them. By comparing their performance, this work demonstrates that mineral discrimination based on Gaussian and ensemble methods optimized the combine of Raman‐LIBS dataset outperformed those ensured by Raman and LIBS data alone. This demonstrated that the fusion of data combination and machine learning is a promising approach to optimize the analysis of spectroscopic data returned from Mars.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.447
Threshold uncertainty score0.854

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0000.000

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 head0.022
GPT teacher head0.314
Teacher spread0.292 · 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 teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
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

Citations18
Published2023
Admission routes1
Has abstractyes

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