Systems and methods for optimizing the formulation of materials are provided. The systems and methods employ a data-driven, iterative approach to derivate optimal material formulations. One portion of the system includes a sample automation system that outputs the material samples to be tested, and a second portion of the system includes an optimization engine that analyzes data extracted from the material samples and generates additional formulations for materials to be printed and tested. This process continues so that optimal material formulations can be determined based on desired mechanical properties of the material to be optimized. The optimization engine can further be capable of predicting results of formulation that have not yet been tested and using those predictions to further drive the next suggested materials to be tested.