A spectral learning path for simultaneous multi-parameter detection of water quality.

Water quality parameters (WQP) are the most intuitive indicators of the environmental quality of water body. Due to the complexity and variability of the chemical environment of water body, simple and rapid detection of multiple parameters of water quality becomes a difficult task. In this paper, spectral images (named SPIs) and deep learning (DL) techniques were combined to construct an intelligent method for WQP detection. A novel spectroscopic instrument was used to obtain SPIs, which were converted into feature images of water chemistry and then combined with deep convolutional neural networks (CNNs) to train models and predict WQP. The results showed that the method of combining SPIs and DL has high accuracy and stability, and good prediction results with average relative error of each parameter (anions and cations, TOC, TP, TN, NO3--N, NH3-N) at 1.3%, coefficient of determination (R2) of 0.996, root mean square error (RMSE) of 0.1, residual prediction deviation (RPD) of 16.2, and mean absolute error (MAE) of 0.067. The method can achieve rapid and accurate detection of high-dimensional water quality multi-parameters, and has the advantages of simple pre-processing and low cost. It can be applied not only to the intelligent detection of environmental waters, but also has the potential to be applied in chemical, biological and medical fields.

Image learning to accurately identify complex mixture components.

The study of complex mixtures is very important for exploring the evolution of natural phenomena, but the complexity of the mixtures greatly increases the difficulty of material information extraction. Image perception-based machine-learning techniques have the ability to cope with this problem in a data-driven way. Herein, we report a 2D-spectral imaging method to collect matter information from mixture components, and the obtained feature images can be easily provided to deep convolutional neural networks (CNNs) for establishing a spectral network. The results demonstrated that a single CNN trained end-to-end from the proposed images can directly accomplish synchronous measurement of multi-component samples using only raw pixels as inputs. Our strategy has some innate advantages, such as fast data acquisition, low cost, and simple chemical treatment, suggesting that it can be extensively applied in many fields, including environmental science, biology, medicine, and chemistry.

Machine learning based on holographic scattering spectrum for mixed pollutants analysis.

Determination of complex pollutants often involves many high-cost and laborious operations. Today's pop machine-learning (ML) technology has exhibited their amazing successes in image recognition, drug designing, disease detection, natural language understanding, etc. ML-driven samples testing will inevitably promote the development of related subjects and fields, but the biggest challenge ahead for this process is how to provide some intelligible and sufficient data for various algorithms. In this work, we present a full strategy for rapid detecting mixed pollutants through the synergistic application of holographic spectrum and convolutional neural network (CNN). The results have shown that a well-trained CNN model could realize quantitative analysis of the mixed pollutants by extracting spectral information of matters, suggesting the strategy's value in facilitating the study of complex chemical systems.

Machine learning for total organic carbon analysis of environmental water samples using high-throughput colorimetric sensors.

Due to the complexity of nonlinear reactions, the analysis of environmental samples often relies on expensive equipment as well as tedious and time-consuming experimental procedures. Currently, the efficient machine learning (ML) strategy based on big data offers some new insights for the analysis of complex components in the environmental field. In this study, ML was applied for the analysis of total organic carbon (TOC). We prepared a special colorimetric sensor (c-sensor) by inkjet printing. The sensor reacted with water samples in a high-throughput process, producing characteristic patterns to map TOC information in water samples. To quickly acquire TOC information on c-sensors, a ML model was proposed to describe the relationship between the c-sensor and TOC value. According to this study, the c-sensor and ML can be effectively applied to TOC information analysis of environmental water samples, which provides convenience for environmental research. It is foreseeable that ML has a broad prospect of application in environmental research.

A color-spectral machine learning path for analysis of five mixed amino acids.

A machine learning (ML) strategy based on color-spectral images for mixed amino acid (AA) analysis is presented. The results showed that a well-trained ML model could accurately predict multiple AAs at the same time, suggesting its value for facilitating quantitative analysis of mixed AA systems.