This study explores the diurnal variations and influencing factors of PM2.5, NO2, and ozone concentrations in educational buildings. Utilizing an integrated system of indoor and outdoor sensors, building automation control networks, and walk-through inspections, air quality data along with relevant characteristics were collected from ten educational buildings in Central Florida. Advanced Neural Network models (RNNs and CNNs), including the Long Short-Term Memory (LSTM) and the Attention Temporal Convolutional Network (ATCN) algorithms based on the Least Absolute Shrinkage and Selection Operator (LASSO), were developed to accurately identify diurnal patterns in indoor air quality (IAQ) and the differences in influencing factors. The findings indicate greater variability in diurnal differences and factors influencing indoor NO2 and ozone concentrations compared to PM2.5. Although the factors influencing day and night PM2.5 levels were similar, there were significant differences in the contribution weights of these factors. Optimized RNNs and CNNs significantly outperformed standard Artificial Neural Network (ANN) models in dynamically simulating and predicting target pollutants. Comparative analysis of the root-mean-square error (RMSE) demonstrated that LASSO-LSTM models comprehensively outperformed LASSO-ATCN models by averaging 13.4% (p < 0.05). These results can be referenced in studies concerning Indoor Air Quality (IAQ) control conducted in similar environmental settings.