On the Robustness of Forward and Inverse Artificial Neural Networks for the Simulation of Ethylene/1‐Butene Copolymerization
Bibliographic record
Abstract
Abstract Forward and inverse artificial neural network (ANN) models are used to describe ethylene/1‐butene copolymerization with a model catalyst having two site types. The forward ANN predicts number and weight average molecular weights, average comonomer content, and polymer yield as a function of a set of polymerization conditions, while the inverse model estimates polymerization conditions needed to produce copolymers with desired microstructures. The forward model is found to be robust and resilient to random noise introduced into the datasets. The inverse model, however, leads to multiple solutions (several polymerization conditions can produce polymers with similar microstructures) and is sensitive to random noise in the data. Although the polymerization conditions estimated from inverse ANN are different from the model data, the estimated polymerization conditions are found to provide similar microstructures even with the random noise.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.002 | 0.010 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".