A method for predicting air quality with the aid of machine learning models includes: (A) providing air pollution data to perform an eXtreme Gradient Boosting (XGBoost) regression algorithm for obtaining a XGBoost prediction value; (B) providing the air pollution data to perform a Long Short-Term Memory (LSTM) algorithm for obtaining an LSTM prediction value; (C) combining the air pollution data, the XGBoost prediction value and the LSTM prediction value to generate air pollution combination data; (D) performing an XGBoost classification algorithm to obtain a suggestion for whether to issue an air pollution alert; and (E) performing the XGBoost regression algorithm on the air pollution combination data to obtain an air pollution prediction value. Two layers of machine learning models are built, and a situation where prediction results are too conservative when a single model does not have enough data can be improved.