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Trace element (TE) pollution in groundwater resources is one of the major concerns in both developing and developed countries as it can directly affect human health. Arsenic (As), Barium (Ba), and Rubidium (Rb) can be considered as TEs naturally present in groundwater due to water-rock interactions in Campania Plain (CP) aquifers, in South Italy. Their concentration could be predicted via some readily available input variables using an algorithm like the iterative classifier optimizer (ICO) for regression, and novel hybrid algorithms with additive regression (AR-ICO), attribute selected classifier (ASC-ICO) and bagging (BA-ICO). In this regard, 244 groundwater samples were collected from water wells within the CP and analyzed with respect to the electrical conductivity, pH, major ions and selected TEs. To develop the models, the available dataset was divided randomly into two subsets for model training (70% of the dataset) and evaluation (30% of the dataset), respectively. Based on the correlation coefficient (r), different input variables combinations were constructed to find the most effective one. Each model's performance was evaluated using common statistical and visual metrics. Results indicated that the prediction of As and Ba concentrations strongly depends on HCO 3 −, while Na+ is the most effective variable on Rb prediction. Also, the findings showed that the most powerful predictive models were those that used all the available input variables. According to models' performance evaluation metrics, the hybrid ASC-ICO outperformed other hybrid (BA- and AR-ICO) and standalone (ICO) algorithms to predict As and Ba concentrations, while both hybrid ASC- and BA-ICO models had higher accuracy and lower error than other algorithms for Rb prediction. [Display omitted] • Groundwater trace elements concentration has been predicted using novel machine learning algorithms. • The ensemble ASC-ICO algorithm has proven to give the most reliable results in predicting As, Ba and Rb concentrations. • All the ensemble algorithm showed enhanced performance than canonical machine learning algorithm. • The high concentrations of As, Rb and Ba stated the importance of the volcanic (tuff) water-rock interaction in the area. [ABSTRACT FROM AUTHOR]