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Record W2805186797 · doi:10.1002/mats.201800016

Model Discrimination between RAFT Polymerization Models Using Sequential Bayesian Methodology

2018· article· en· W2805186797 on OpenAlexafffund
Samira Masoumi, Thomas A. Duever, Alexander Penlidis, Reza Azimi, Porfirio López‐Domínguez, Eduardo Vivaldo‐Lima

Bibliographic record

VenueMacromolecular Theory and Simulations · 2018
Typearticle
Languageen
FieldChemistry
TopicAdvanced Polymer Synthesis and Characterization
Canadian institutionsUniversity of AlbertaToronto Metropolitan UniversityUniversity of Waterloo
FundersDirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de MéxicoNatural Sciences and Engineering Research Council of CanadaConsejo Nacional de Ciencia y TecnologíaFacultad de Química, Universidad Autonoma de Yucatan
KeywordsRaftBayesian probabilityComputer scienceSensitivity (control systems)Chain transferMarkov chain Monte CarloBayesian inferenceMonte Carlo methodPolymerizationMathematicsArtificial intelligenceStatisticsMaterials scienceRadical polymerizationPolymerEngineering

Abstract

fetched live from OpenAlex

Abstract The use of sequential Bayesian methodology for model discrimination purposes in reversible addition‐fragmentation transfer (RAFT) polymerization is analyzed and discussed from a mathematical model discrimination point of view. The RAFT models are detailed nonlinear mechanistic models from the literature, where the debate is still ongoing about their validity. A sensitivity analysis is performed first on the simulated models in order to identify the most informative process (measured) outputs from the candidate models with respect to model discrimination. Next, sequential Bayesian Monte Carlo model discrimination (SBMCMD) methodology is applied to discriminate between the two rival models. The effectiveness of the SBMCMD procedure in discriminating between the two proposed models (both describing basic RAFT polymerization kinetic trends successfully) is explored further. Most informative experiments are designed and suggested based on the design of experiments step of the SBMCMD methodology. The methodology is capable of selecting the “real” model.

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: none
Teacher disagreement score0.608
Threshold uncertainty score0.766

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 head0.080
GPT teacher head0.334
Teacher spread0.254 · 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

Citations12
Published2018
Admission routes2
Has abstractyes

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