The prediction of algal chlorophyll-a and water clarity in lentic ecosystems is a hot issue due to rapid deteriorations of drinking water quality and eutrophication processes. Our key objectives of the study were to predict long-term algal chlorophyll-a and transparency (water clarity), measured as Secchi depth, in spatially heterogeneous and temporally dynamic reservoirs largely influenced by the Asian monsoon during 2000-2017 and then determine the reservoir trophic state using a multiple linear regression (MLR), support vector machine (SVM) and artificial neural network (ANN). We tested the models to analyze the spatial patterns of the riverine zone (Rz), transitional zone (Tz) and lacustrine zone (Lz) and temporal variations of premonsoon, monsoon and postmonsoon. Monthly physicochemical parameters and precipitation data (2000)(2001)(2002)(2003)(2004)(2005)(2006)(2007)(2008)(2009)(2010)(2011)(2012)(2013)(2014)(2015)(2016)(2017) were used to build up the models of MLR, SVM and ANN and then were confirmed by cross-validation processes. The model of SVM showed better predictive performance than the models of MLR and ANN, in both before validation and after validation. Values of root mean square error (RMSE) and mean absolute error (MAE) were lower in the SVM model, compared to the models of MLR and ANN, indicating that the SVM model has better performance than the MLR and ANN models. The coefficient of determination was higher in the SVM model, compared to the MLR and ANN models. The mean and maximum total suspended solids (TSS), nutrients (total nitrogen (TN) and total phosphorus (TP)), water temperature (WT), conductivity and algal chlorophyll (CHL-a) were in higher concentrations in the riverine zone compared to transitional and lacustrine zone due to surface run-off from the watershed. During the premonsoon and postmonsoon, the average annual rainfall was 59.50 mm and 54.73 mm whereas it was 236.66 mm during the monsoon period. From 2013 to 2017, the trophic state of the reservoir on the basis of CHL-a and SD was from mesotrophic to oligotrophic. Analysis of the importance of input variables indicated that WT, TP, TSS, TN, NP ratios and the rainfall influenced the chlorophyll-a and transparency directly in the reservoir. These findings of the algal chlorophyll-a predictions and Secchi depth may provide key clues for better management strategy in the reservoir.Water 2020, 12, 30 2 of 20 state of the reservoirs and to manage them efficiently, some techniques have to be developed for monitoring and modeling.Mechanistic modeling of the eutrophication is a difficult task due to insufficient observations and the complex behavior of the reservoir ecosystem [5]. One promising action could be the chlorophyll-a and transparency (Secchi depth) prediction by incorporating key environmental variables like as precipitation, water temperature, nutrients, biological oxygen demand and total suspended solids. The reason for using CHL-a and transparency is their wide application as indicators of the eutrophication and turbidit...

In kernel methods, choosing a suitable kernel is indispensable for favorable results. No well-founded methods, however, have been established in general for unsupervised learning. We focus on kernel Principal Component Analysis (kernel PCA), which is a nonlinear extension of principal component analysis and has been used electively for extracting nonlinear features and reducing dimensionality. As a kernel method, kernel PCA also suffers from the problem of kernel choice. Although cross-validation is a popular method for choosing hyperparameters, it is not applicable straightforwardly to choose a kernel in kernel PCA because of the incomparable norms given by different kernels. It is important, thus, to develop a wellfounded method for choosing a kernel in kernel PCA. This study proposes a method for choosing hyperparameters in kernel PCA (kernel and the number of components) based on cross-validation for the comparable reconstruction errors of pre-images in the original space. The experimental results on synthesized and real-world datasets demonstrate that the proposed method successfully selects an appropriate kernel and the number of components in kernel PCA in terms of visualization and classification errors on the principal components. The results imply that the proposed method enables automatic design of hyperparameters in kernel PCA.

Neuropeptides (NPs) are the most versatile neurotransmitters in the immune systems that regulate various central anxious hormones. An efficient and effective bioinformatics tool for rapid and accurate large-scale identification of NPs is critical in immunoinformatics, which is indispensable for basic research and drug development. Although a few NP prediction tools have been developed, it is mandatory to improve their NPs’ prediction performances. In this study, we have developed a machine learning-based meta-predictor called NeuroPred-FRL by employing the feature representation learning approach. First, we generated 66 optimal baseline models by employing 11 different encodings, six different classifiers and a two-step feature selection approach. The predicted probability scores of NPs based on the 66 baseline models were combined to be deemed as the input feature vector. Second, in order to enhance the feature representation ability, we applied the two-step feature selection approach to optimize the 66-D probability feature vector and then inputted the optimal one into a random forest classifier for the final meta-model (NeuroPred-FRL) construction. Benchmarking experiments based on both cross-validation and independent tests indicate that the NeuroPred-FRL achieves a superior prediction performance of NPs compared with the other state-of-the-art predictors. We believe that the proposed NeuroPred-FRL can serve as a powerful tool for large-scale identification of NPs, facilitating the characterization of their functional mechanisms and expediting their applications in clinical therapy. Moreover, we interpreted some model mechanisms of NeuroPred-FRL by leveraging the robust SHapley Additive exPlanation algorithm.

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With strong evidence (p-value ≤0.000001), the triplet (MAGI2, CRBLCrus1.L, FBXO28) is a significant biomarker for schizophrenia patients. This novel method can be applicable to the study of other disease processes, where multimodal data analysis is a common task.