Genomic selection (GS) has the potential to revolutionize predictive plant breeding. A reference population is phenotyped and genotyped to train a statistical model that is used to perform genome-enabled predictions of new individuals that were only genotyped. In this vein, deep neural networks, are a type of machine learning model and have been widely adopted for use in GS studies, as they are not parametric methods, making them more adept at capturing nonlinear patterns. However, the training process for deep neural networks is very challenging due to the numerous hyper-parameters that need to be tuned, especially when imperfect tuning can result in biased predictions. In this paper we propose a simple method for calibrating (adjusting) the prediction of continuous response variables resulting from deep learning applications. We evaluated the proposed deep learning calibration method (DL_M2) using four crop breeding data sets and its performance was compared with the standard deep learning method (DL_M1), as well as the standard genomic Best Linear Unbiased Predictor (GBLUP). While the GBLUP was the most accurate model overall, the proposed deep learning calibration method (DL_M2) helped increase the genome-enabled prediction performance in all data sets when compared with the traditional DL method (DL_M1). Taken together, we provide evidence for extending the use of the proposed calibration method to evaluate its potential and consistency for predicting performance in the context of GS applied to plant breeding.

In genomic selection choosing the statistical machine learning model is of paramount importance. In this paper, we present an application of a zero altered random forest model with two versions (ZAP_RF and ZAPC_RF) to deal with excess zeros in count response variables. The proposed model was compared with the conventional random forest (RF) model and with the conventional Generalized Poisson Ridge regression (GPR) using two real datasets, and we found that, in terms of prediction performance, the proposed zero inflated random forest model outperformed the conventional RF and GPR models.

The genomic selection (GS) methodology proposed over 20 years ago by Meuwissen et al. (Genetics, 2001) has revolutionized plant breeding. A predictive methodology that trains statistical machine learning algorithms with phenotypic and genotypic data of a reference population and makes predictions for genotyped candidate lines, GS saves significant resources in the selection of candidate individuals. However, its practical implementation is still challenging when the plant breeder is interested in the prediction of future seasons or new locations and/or environments, which is called the “leave one environment out” issue. Furthermore, because the distributions of the training and testing set do not match, most statistical machine learning methods struggle to produce moderate or reasonable prediction accuracies. For this reason, the main objective of this study was to explore the use of the multi-trait partial least square (MT-PLS) regression methodology for this specific task, benchmarking its performance with the Bayesian Multi-trait Genomic Best Linear Unbiased Predictor (MT-GBLUP) method. The benchmarking process was performed with five actual data sets. We found that in all data sets the MT-PLS method outperformed the popular MT-GBLUP method by 349.8% (under predictor E + G), 484.4% (under predictor E + G + GE; where E denotes environments, G genotypes and GE the genotype by environment interaction) and 15.9% (under predictor G + GE) across traits. Our results provide empirical evidence of the power of the MT-PLS methodology for the prediction of future seasons or new environments. Furthermore, the comparison between single univariate-trait (UT) versus MT for GBLUP and PLS gave an increase in prediction accuracy of MT-GBLUP versus UT-GBLUP, but not for MT-PLS versus UT-PLS.

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The adoption of machine learning frameworks in areas beyond computer science have been facilitated by the development of user-friendly software tools that do not require an advanced understanding of computer programming. In this paper, we present a new package (sparse kernel methods, SKM) software developed in R language for implementing six (generalized boosted machines, generalized linear models, support vector machines, random forest, Bayesian regression models and deep neural networks) of the most popular supervised machine learning algorithms with the optional use of sparse kernels. The SKM focuses on user simplicity, as it does not try to include all the available machine learning algorithms, but rather the most important aspects of these six algorithms in an easy-to-understand format. Another relevant contribution of this package is a function for the computation of seven different kernels. These are Linear, Polynomial, Sigmoid, Gaussian, Exponential, Arc-Cosine 1 and Arc-Cosine L (with L = 2, 3, … ) and their sparse versions, which allow users to create kernel machines without modifying the statistical machine learning algorithm. It is important to point out that the main contribution of our package resides in the functionality for the computation of the sparse version of seven basic kernels, which is indispensable for reducing computational resources to implement kernel machine learning methods without a significant loss in prediction performance. Performance of the SKM is evaluated in a genome-based prediction framework using both a maize and wheat data set. As such, the use of this package is not restricted to genome prediction problems, and can be used in many different applications.