The design of cementitious mixtures incorporating mine tailings as fine aggregates is a multi-objective optimization (MOO) problem, in which both the uniaxial compressive strength (UCS) and cost of the mixtures need to be considered simultaneously. Given that data-driven methods have shown promising results when solving similar MOO problems, this study developed an extreme gradient boosting regressor (XGBR) model on a dataset extracted from the literature to predict the UCS. Among the efforts taken to improve the models, a genetic algorithm (GA)-based XGBR model demonstrated the optimal prediction performance, with an R2 of 0.959. Next, the GA-XGBR model and a cost equation were used as objective functions in the MOO problem. The non-dominated sorting genetic algorithm with elite strategy (NSGA-II) was selected to solve the optimization problem. A case study was conducted, generating mixture designs that offered improved trade-offs between cost and UCS compared to experimental designs. Finally, a graphical user interface was developed to provide access to the prediction model and optimization method. Overall, this work can be used as a guide for optimal mixture designs as it facilitates informed decision-making before the actual applications.