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Record W2153006161 · doi:10.1002/aic.14439

Demystifying the estimation of reactivity ratios for terpolymerization systems

2014· article· en· W2153006161 on OpenAlexaff
Niousha Kazemi, Thomas A. Duever, Alexander Penlidis

Bibliographic record

VenueAIChE Journal · 2014
Typearticle
Languageen
FieldMaterials Science
TopicMachine Learning in Materials Science
Canadian institutionsUniversity of Waterloo
Fundersnot available
KeywordsReactivity (psychology)Ternary operationChemistryMonomerEstimationReliability (semiconductor)Binary numberThermodynamicsComputer scienceMathematicsOrganic chemistryEngineeringArithmeticPhysics

Abstract

fetched live from OpenAlex

In typical practice for terpolymerizations so far, binary reactivity ratios have been used directly in the instantaneous Alfrey and Goldfinger (AG) model, effectively ignoring the presence of the third monomer. In addition, the use of the AG model leads to severe estimation problems, if one would like to estimate reactivity ratios from experimental data. Due to the above reasons, the AG model was recast and was subsequently used with terpolymerization data directly to estimate ternary reactivity ratios under the error‐in‐variables‐model framework, based both on instantaneous (low conversion) and cumulative composition data (medium and high conversions). Several examples and counter examples highlight such important issues as the choice of the correct number of responses, accounting for the appropriate error structure, and incorporating the right information content, all with diagnostic checks whose target is the eventual reliability of the reactivity ratio estimates. © 2014 American Institute of Chemical Engineers AIChE J, 60: 1752–1766, 2014

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)0.004
metaresearch head score (Gemma)0.012
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: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.004
Threshold uncertainty score0.020

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0040.012
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0000.001
Scholarly communication0.0010.002
Open science0.0010.001
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0020.001

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 head0.015
GPT teacher head0.279
Teacher spread0.264 · 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

Citations23
Published2014
Admission routes1
Has abstractyes

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