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Record W4401154934 · doi:10.1002/cjce.25431

Robust optimization of cascaded <scp>MSMPR</scp> crystallization unit using unsupervised machine learning

2024· article· en· W4401154934 on OpenAlex
Ravi Kiran Inapakurthi, Kishalay Mitra

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.

venuePublished in a venue whose home country is Canada.
no affNo Canadian affiliation: this work is invisible to an affiliation-only frame.
No Canadian affiliation. An affiliation-only frame, the usual design, would never have seen this work. It is one of the works that make the case for inverting the frame.

Bibliographic record

VenueThe Canadian Journal of Chemical Engineering · 2024
Typearticle
Languageen
FieldMaterials Science
TopicCrystallization and Solubility Studies
Canadian institutionsnot available
Fundersnot available
KeywordsCluster analysisComputer scienceProcess (computing)Robust optimizationMathematical optimizationSet (abstract data type)Product (mathematics)Sampling (signal processing)Data miningMachine learningMathematics

Abstract

fetched live from OpenAlex

Abstract The use of mixed suspension mixed product removal (MSMPR) system in the pharmaceutical industry to produce active pharmaceutical ingredients is well known. In industrial settings, the MSMPR system is subject to lot of process uncertainty which, if ignored, might result in poor product quality. In this work, the process uncertainty involved in MSMPR is targeted during the process optimization stage to find robust optimal operating conditions. The temperature and the residence time inside each cascaded MSMPR unit, altogether six, are considered as uncertain parameters. A sampled set of uncertain data points for such six different uncertain parameters are clustered using a novel support vector clustering (SVC) based algorithm. The uniqueness of this algorithm lies in its ability to fine‐tune the hyper‐parameters of SVC while intelligently clustering the uncertain data points into optimal number of clusters. Such identified clusters are helpful to generate more samples from the intended regions rather than generating them randomly to avoid proposing conservative solutions. Both best‐case and worst‐case scenarios for robust oOptimization (RO) are considered with , and samples. As the model has to be evaluated for a large number of samples and the MSMPR models are time‐consuming to evaluate, a surrogate model of the MSMPR process is developed to perform optimization under uncertainty. Performance metrics are used to quantitatively establish the superiority of the SVC based RO over the box‐sampling based RO.

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)0.000
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: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.229
Threshold uncertainty score0.369

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
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 head0.032
GPT teacher head0.222
Teacher spread0.190 · 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