As VOCs pose a threat to human health, it is important to accurately capture changes in VOCs concentrations and sense VOCs concentrations in relevant areas. Therefore, it is necessary to improve the accuracy of VOCs concentration prediction and realise the VOCs aggregation situation sensing. Firstly, on the basis of regional grid division, the inverse distance spatial interpolation method is used for spatial interpolation to collect regional VOCs data information. Secondly, extreme gradient boosting (XGBoost) is used for spatio-temporal feature selection, combined with graph convolutional neural network (GCN) to construct regional spatial relationships of VOCs, and multiple linear regression (MLR) to process VOCs time series data and predict the VOCs concentration in the grid. Finally, the aggregation potential values of VOCs are calculated based on the prediction results, and the potential perception results are visualised. A VOCs aggregation perception method based on concentration prediction is proposed, using the XGBoost-GCN-MLR method with a scenario-aware approach for VOCs to perceive the VOCs aggregation in the relevant region. VOCs concentration prediction and VOCs aggregation trend perception were carried out in Xi’an, Baoji, Tongchuan, Weinan and Xianyang. The results show that compared with the GCN model, XGBoost model, MLR model and GCN-MLR model, the XGBoost-GCN-MLR model reduces the input variables, achieves the optimisation of the input parameters of the VOCs concentration prediction model, reduces the complexity of the prediction model and improves the prediction accuracy. Intelligent sensing of VOCs aggregation can visualise the regional VOCs. The intelligent sensing of VOCs aggregation can visualise the development trend and status of regional VOCs aggregation and convey more information, which has practical value.