Arsenic (As) contamination in drinking water has been highlighted for its environmental significance and potential health implications. Iron-based filters are cost-effective and sustainable solutions for As removal from contaminated water. Applying Machine Learning (ML) models to investigate and optimize As removal using iron-based filters is limited. The present study developed Deep Learning Neural Network (DLNN) models for predicting the removal of As and other contaminants by iron-based filters from groundwater. A small Original Dataset (ODS) consisting of 20 data points and 13 groundwater parameters was obtained from the field performances of 20 individual iron-amended ceramic filters. Cubic-spline interpolation (CSI) expanded the ODS, generating 1600 interpolated data points (IDPs) without duplication. The Bayesian optimization algorithm tuned the model hyper-parameters and IDPs in a Stratified fivefold Cross-Validation (CV) setup trained all the models. The models demonstrated reliable performances with the coefficient of determination (R2) 0.990–0.999 for As, 0.774–0.976 for Iron (Fe), 0.934–0.954 for Phosphorus (P), and 0.878–0.998 for predicting manganese (Mn) in the effluent. Sobol sensitivity analysis revealed that As (total order index (ST) = 0.563), P (ST = 0.441), Eh (ST = 0.712), and Temp (ST = 0.371) are the most sensitive parameters for the removal of As, Fe, P, and Mn. The comprehensive approach, from data expansion through DLNN model development, provides a valuable tool for estimating optimal As removal conditions from groundwater.
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