Fifth-generation (5G) mobile communication networks have recently emerged in various fields, including highspeed trains. However, the dense deployment of 5G millimeter wave (mmWave) base stations (BSs) and the high speed of moving trains lead to frequent handovers (HOs), which can adversely affect the Quality-of-Service (QoS) of mobile users. As a result, HO optimization and resource allocation are essential considerations for managing mobility in high-speed train systems. In this paper, we model system performance of a high-speed train system with a novel machine learning (ML) approach that is nested cross validation scheme that prevents information leakage from model evaluation into the model parameter tuning, thereby avoiding overfitting and resulting in better generalization error. To this end, we employ ML methods for the high-speed train system scenario. Handover Margin (HOM) and Time-to-Trigger (TTT) values are used as features, and several KPIs are used as outputs, and several ML methods including Gradient Boosting Regression (GBR), Adaptive Boosting (AdaBoost), CatBoost Regression (CBR), Artificial Neural Network (ANN), Kernel Ridge Regression (KRR), Support Vector Regression (SVR), and k-Nearest Neighbor Regression (KNNR) are employed for the problem. Finally, performance comparisons of the cross validation schemes with the methods are made in terms of mean absolute error (MAE) and mean square error (MSE) metrics are made. As per obtained results, boosting methods, ABR, CBR, GBR, with nested cross validation scheme superiorly outperforms conventional cross validation scheme results with the same methods. On the other hand, SVR, KNRR, KRR, ANN with the nested scheme produce promising results for prediction of some KPIs with respect to their conventional scheme employment.
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