In this study, we present our findings from investigating the use of a machine learning (ML) technique to improve the performance of Quasi-Yagi–Uda antennas operating in the n78 band for 5G applications. This research study investigates several techniques, such as simulation, measurement, and an RLC equivalent circuit model, to evaluate the performance of an antenna. In this investigation, the CST modelling tools are used to develop a high-gain, low-return-loss Yagi–Uda antenna for the 5G communication system. When considering the antenna’s operating frequency, its dimensions are 0.642λ0×0.583λ0$0.642�0\times 0.583�0$. The antenna has an operating frequency of 3.5 GHz, a return loss of −43.45$-43.45$ dB, a bandwidth of 520 MHz, a maximum gain of 6.57 dB, and an efficiency of almost 97%. The impedance analysis tools in CST Studio’s simulation and circuit design tools in Agilent ADS software are used to derive the antenna’s equivalent circuit (RLC). We use supervised regression ML method to create an accurate prediction of the frequency and gain of the antenna. Machine learning models can be evaluated using a variety of measures, including variance score, R square, mean square error, mean absolute error, root mean square error, and mean squared logarithmic error. Among the nine ML models, the prediction result of Linear Regression is superior to other ML models for resonant frequency prediction, and Gaussian Process Regression shows an extraordinary performance for gain prediction. R-square and var score represents the accuracy of the prediction, which is close to 99% for both frequency and gain prediction. Considering these factors, the antenna can be deemed an excellent choice for the n78 band of a 5G communication system.