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Record W3048504327 · doi:10.1002/aic.17021

Using prior parameter knowledge in <scp>model‐based</scp> design of experiments for pharmaceutical production

2020· article· en· W3048504327 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueAIChE Journal · 2020
Typearticle
Languageen
FieldDecision Sciences
TopicOptimal Experimental Design Methods
Canadian institutionsQueen's University
FundersEli Lilly and Company
KeywordsFisher informationComputationComputer scienceBayesian probabilitySelection (genetic algorithm)Bayesian information criterionInvertible matrixPrior informationSequential analysisDesign of experimentsAlgorithmProcess (computing)Mathematical optimizationModel selectionMatrix (chemical analysis)MathematicsMachine learningArtificial intelligenceStatistics

Abstract

fetched live from OpenAlex

Abstract Sequential model‐based design of experiments (MBDoE) uses information from previous experiments to select new experimental conditions. Computation of MBDoE objective functions can be impossible due to a noninvertible Fisher information matrix ( FIM ). Previously, we evaluated a leave‐out (LO) approach that designed experiments by removing problematic model parameters from the design process. Unfortunately, the LO approach can be computationally expensive due to its iterative nature. In this study, we propose a simplified Bayesian approach that makes the FIM invertible by accounting for prior parameter information. We compare the proposed simplified Bayesian approach to the LO approach for sequential A‐optimal design. Results from a pharmaceutical case study show that the proposed approach is superior, on average, for design of experiments. We suggest that simplified Bayesian MBDoE should be combined with a subset‐selection‐based approach for parameter estimation. This combined methodology gave the best results on average for the case study.

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.

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)0.005
metaresearch head score (Gemma)0.009
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.401
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0050.009
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0010.000
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 head0.640
GPT teacher head0.559
Teacher spread0.081 · 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