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Raman Spectroscopy Integrated with Machine Learning as a Tool for Maturity Assessment of Organic Matter: A Case Study in Santos Basin, Brazil

2025· article· en· W4412918920 on OpenAlexaff
Dalva Alves de Lima Almeida, Flávia C. Marques, Rafael de Oliveira, Gabriel de Alemar Barberes, Linus Pauling F. Peixoto, Lenize F. Maia, Thiago Feital, Maurício Melo Câmara, José Carlos Pinto, Antônio Carlos Sant’Ana, Celly M. S. Izumi, Gustavo F. S. Andrade, Delano M. Ibanez, Dorval C. Dias Filho, T.R. Menezes, Luiz Fernando Cappa de Oliveira

Bibliographic record

VenueACS Earth and Space Chemistry · 2025
Typearticle
Languageen
FieldComputer Science
TopicGeochemistry and Geologic Mapping
Canadian institutionsOptech (Canada)
FundersFundação de Amparo à Pesquisa do Estado de Minas GeraisPetrobrasConselho Nacional de Desenvolvimento Científico e TecnológicoFinanciadora de Estudos e ProjetosCoordenação de Aperfeiçoamento de Pessoal de Nível Superior
KeywordsMaturity (psychological)Organic matterRaman spectroscopyStructural basinArtificial intelligenceComputer scienceAnalytical Chemistry (journal)Environmental scienceChemistryEnvironmental chemistryPsychologyGeologyPhysicsGeomorphologyOpticsOrganic chemistryDevelopmental psychology

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide The thermal maturation assessment of organic matter (OM) is crucial for understanding the hydrocarbon generation and expulsion processes in oil-bearing rocks. Vitrinite, a maceral found in coal samples, has its reflectance (%Ro) measurement widely used as a paleotemperature indicator in organic-rich sedimentary rocks. However, alternative methods are necessary to determine paleotemperature in sedimentary basins where vitrinite is scarce or absent, such as in presalt formations. This work used Raman spectroscopy to determine the reflectance equivalent in OM present in carbonate rocks from a presalt petroleum system (Santos Basin, Brazil). Vitrinite fragments present in palynofacies sections from a well of the Potiguar Basin, Rio Grande do Norte, Brazil, collected in different depths, with %Ro obtained in the range from 0.46 to 2.72%, were used as reference material to model calibration using their Raman spectral parameters, assisted by the Machine Learning Least Absolute Shrinkage and Selection Operator (LASSO) algorithm. The strategy was employed to analyze 30 samples of presalt carbonate rocks containing solid bitumen, whose Raman spectral parameters were used to determine their equivalent reflectance values (% R Raman ). Calibration with vitrinite samples was done using excitation radiation with wavelengths at 532 and 632.8 nm. The % R Raman values were determined for all rock-containing bitumen samples using the exciting radiations. The methodology has proven to be an effective way to determine the OM thermal maturity.

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)0.000
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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.713
Threshold uncertainty score0.621

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
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 head0.005
GPT teacher head0.253
Teacher spread0.248 · 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

Citations2
Published2025
Admission routes1
Has abstractyes

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