Accurate prediction and further dissection of neonicotinoid elimination in the water treatment by CTS@AgBC using multihead attention-based convolutional neural network combined with the time-dependent Cox regression model.

Abstract Imidacloprid (IMI), as the most widely used neonicotinoid insecticide, poses a serious threat to the water ecosystem due to the inefficient elimination in the traditional water treatment. Chitosan (CTS)-stabilized biochar (BC)-supported Ag nanoparticles (CTS@AgBC) are applied to eliminate the IMI in the water treatment effectively. Batch experiments depict that the modification of BC by CTS and Ag nanoparticles remarkably improve its adsorption performance. The pseudo-second-order and Elovich models have good performance in simulating the adsorption processes of CTS@AgBC and BC. This indicates that the chemical adsorption on real surfaces plays the dominant role in the adsorption of IMI by CTS@AgBC and BC. In addition, the multihead attention (MHA)-based convolutional neural network (CNN) combined with the time-dependent Cox regression model are initially applied to predict and dissect the adsorption elimination processes of IMI by CTS@AgBC. The proposed MHA–CNN model achieves more accurate concentration prediction of IMI than traditional models. According to influence weights by MHA module, biochar category, pH, and treatment temperature are considered the three dominant environmental variables to determine the IMI elimination processes. This study provides insights into roles of environmental variables in the elimination of IMI by CTS@AgBC and the accurate prediction of IMI concentration.