Application of Convolutional Neural Networks for Prediction of 1 Disinfection By-Products
Bibliographic record
Abstract
Abstract Fluorescence spectroscopy can provide high-level chemical characterization and quantification that is suitable for use in online process monitoring and control. However, the high-dimensionality of excitation-emission matrices and superposition of underlying signals is a major challenge to implementation. Herein the use of Convolutional Neural Networks (CNNs) is investigated to interpret fluorescence spectra and predict the formation of disinfection by-products during drinking water treatment. Using deep CNNs, mean absolute prediction error on a test set of data for total trihalomethanes, total haloacetic acids, and the major individual species were all < 6 µg/L and represent a significant difference improved by 39% - 62% compared to dense neural networks. Heat maps that identify spectral areas of importance for prediction showed unique humic-like and protein-like regions for individual disinfection by-product species that can be used to validate models and provide insight into precursor characteristics. The use of fluorescence spectroscopy coupled with deep CNNs shows promise to be used for rapid estimation of DBP formation potentials without the need for extensive data pre-processing or dimensionality reduction. Knowledge of DBP formation potentials in near real-time can enable tighter treatment controls and management efforts to minimize the exposure of the public to DBPs.
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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 | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.000 | 0.000 |
| 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".