The last frame from each MLIP-MD trajectory is evaluated by a chosen selector to determine whether the structure will be added to the training set or not. If the frame is not selected, the index n is increased, and the MD simulation continues to ensure gradual and continuous exploration of the PES. The automated process iterates until the MD simulation reaches the maximum time (1 ps by default) or the maximum number of AL iterations with a default value of 50. The resulting MLIP is then considered final, and its performance is validated on testing data sets generated independently. The bias from the previous iteration (highlighted in pink) is used as the initial bias in this iteration, while the bias for the next AL iteration is the averaged bias across the parallel runs in this iteration.