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Record W2322744709 · doi:10.1021/ie302408b

Development of a Model Selection Criterion for Accurate Model Predictions at Desired Operating Conditions

2012· article· en· W2322744709 on OpenAlexafffund
Zahra Eghtesadi, Shaohua Wu, Kimberley B. McAuley

Bibliographic record

VenueIndustrial & Engineering Chemistry Research · 2012
Typearticle
Languageen
FieldChemistry
TopicSpectroscopy and Chemometric Analyses
Canadian institutionsHoneywell (Canada)Queen's University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsOverfittingVariance (accounting)Model selectionMonte Carlo methodComputer scienceNonlinear systemComputationSelection (genetic algorithm)Mean squared errorEstimation theoryLinear modelMathematical optimizationAlgorithmMathematicsStatisticsMachine learning

Abstract

fetched live from OpenAlex

A methodology is proposed for selecting parameters to estimate when data are too limited to estimate all kinetic, thermodynamic, and mass-transfer parameters in complex models of chemical processes. When data are sparse, noisy, or correlated, it is often better to obtain predictions from a simplified model (SM) where a few parameters have been removed via simplifying assumptions or some parameters are fixed at nominal values based on prior knowledge. Reducing the number of estimated parameters leads to bias in model predictions, but also lowers prediction variance. Trade-off between bias and variance is assessed using the mean squared error (MSE) of the model predictions. The proposed model selection criterion is an advance over previous criteria in the literature because arbitrary tuning parameters are not required, computations are relatively simple, and the user can specify key operating conditions where accurate predictions are desired. Important benefits are that overfitting of noisy data is prevented and standard least-squares parameter estimation can be used without numerical difficulties. Monte Carlo simulations are used to assess the effectiveness of the proposed methodology for parameter selection in linear and nonlinear models. This approach will be valuable for industrial modelers who want to make accurate predictions about new product specifications or grades.

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)0.001
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 score0.280
Threshold uncertainty score0.881

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
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 head0.273
GPT teacher head0.416
Teacher spread0.143 · 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

Citations11
Published2012
Admission routes2
Has abstractyes

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