Abstract

Three dimensional fluorescence spectroscopy has become increasingly useful in the detection of organic pollutants. However, this approach is limited by decreased accuracy in identifying low concentration pollutants. In this research, a new identification method for organic pollutants in drinking water is accordingly proposed using three-dimensional fluorescence spectroscopy data and a deep learning algorithm. A novel application of a convolutional autoencoder was designed to process high-dimensional fluorescence data and extract multi-scale features from the spectrum of drinking water samples containing organic pollutants. Extreme Gradient Boosting (XGBoost), an implementation of gradient-boosted decision trees, was used to identify the organic pollutants based on the obtained features. Method identification performance was validated on three typical organic pollutants in different concentrations for the scenario of accidental pollution. Results showed that the proposed method achieved increasing accuracy, in the case of both high-(>10 μg/L) and low-(≤10 μg/L) concentration pollutant samples. Compared to traditional spectrum processing techniques, the convolutional autoencoder-based approach enabled obtaining features of enhanced detail from fluorescence spectral data. Moreover, evidence indicated that the proposed method maintained the detection ability in conditions whereby the background water changes. It can effectively reduce the rate of misjudgments associated with the fluctuation of drinking water quality. This study demonstrates the possibility of using deep learning algorithms for spectral processing and contamination detection in drinking water.

Highlights

  • Drinking water is a critical resource that affects all aspects of our life

  • In the detection of organic pollutants in drinking water, the change of background drinking water and the low intensity of fluorescence peaks associated with the presence of low-concentration analytes lead to the failure of linear features extracted by Principal component analysis (PCA) and parallel factor analysis (PARAFAC) according to our experiments

  • The present study aims to introduce a novel method for the detection of organic pollutants in drinking water based on three-dimensional fluorescence spectra, which is applicable to the case of weak spectral signals from low-concentration analytes, in the context of background fluctuations of water quality

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Summary

Introduction

Drinking water is a critical resource that affects all aspects of our life. The safety and security of drinking water have been global concerns as well as key priorities for many countries for quite a while [1,2,3]. PARAFAC is an effective method to process fluorescence spectroscopy data and determine the concentration of organic compounds in drinking water [22]. In the detection of organic pollutants in drinking water, the change of background drinking water and the low intensity of fluorescence peaks associated with the presence of low-concentration analytes lead to the failure of linear features extracted by PCA and PARAFAC according to our experiments. The present study aims to introduce a novel method for the detection of organic pollutants in drinking water based on three-dimensional fluorescence spectra, which is applicable to the case of weak spectral signals from low-concentration analytes, in the context of background fluctuations of water quality.

Architecture of Model
Spectral Pretreatment
Convolutional Autoencoder
XGBoost Classifier
Fluorescence and Sample Description
Spectral Feature Extraction Based on CAE
Qualitative Identification Results Based on XGBoost
Detection of High-Concentration Organic Pollutants in Drinking Water
Method
Detection of Low-Concentration Organic Pollutants in Drinking Water
Influence of Background Fluctuations in Drinking Water Quality
Conclusions
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