Im sure there are several reasons for the aliens head being the way it is. We saw it chambers a large brain in AvP, it is a general assumption that the large brain is for some sort of esp communication (which there is evidence to support from the films, primarily A:R or AvP). The xenos have also demonstrated an ability to learn and process information quickly. The head is elongated probably to create better balance for the creature, especially when running on all fours.