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dc.contributor.authorPeleato, Nicolas M.
dc.contributor.authorLegge, Raymond L.
dc.contributor.authorAndrews, Robert C. 17:08:17 (GMT) 17:08:17 (GMT)
dc.descriptionThe final publication is available at Elsevier via © 2018. This manuscript version is made available under the CC-BY-NC-ND 4.0 license
dc.description.abstractThe use of fluorescence data coupled with neural networks for improved predictability of drinking water disinfection by-products (DBPs) was investigated. Novel application of autoencoders to process high-dimensional fluorescence data was related to common dimensionality reduction techniques of parallel factors analysis (PARAFAC) and principal component analysis (PCA). The proposed method was assessed based on component interpretability as well as for prediction of organic matter reactivity to formation of DBPs. Optimal prediction accuracies on a validation dataset were observed with an autoencoder-neural network approach or by utilizing the full spectrum without pre-processing. Latent representation by an autoencoder appeared to mitigate overfitting when compared to other methods. Although DBP prediction error was minimized by other pre-processing techniques, PARAFAC yielded interpretable components which resemble fluorescence expected from individual organic fluorophores. Through analysis of the network weights, fluorescence regions associated with DBP formation can be identified, representing a potential method to distinguish reactivity between fluorophore groupings. However, distinct results due to the applied dimensionality reduction approaches were observed, dictating a need for considering the role of data pre-processing in the interpretability of the results. In comparison to common organic measures currently used for DBP formation prediction, fluorescence was shown to improve prediction accuracies, with improvements to DBP prediction best realized when appropriate pre-processing and regression techniques were applied. The results of this study show promise for the potential application of neural networks to best utilize fluorescence EEM data for prediction of organic matter reactivity.en
dc.description.sponsorshipCanadian Water Networken
dc.description.sponsorshipNatural Sciences and Engineering Research Council of Canada (NSERC) Chair in Drinking Water Research at the University of Torontoen
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International*
dc.subjectDimensionality reductionen
dc.subjectDisinfection by-productsen
dc.subjectFluorescence spectroscopyen
dc.subjectNeural networksen
dc.subjectWater treatmenten
dc.titleNeural networks for dimensionality reduction of fluorescence spectra and prediction of drinking water disinfection by-productsen
dcterms.bibliographicCitationPeleato, N. M., Legge, R. L., & Andrews, R. C. (2018). Neural networks for dimensionality reduction of fluorescence spectra and prediction of drinking water disinfection by-products. Water Research, 136, 84–94.
uws.contributor.affiliation1Faculty of Engineeringen
uws.contributor.affiliation2Chemical Engineeringen

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