“…A typical use of the Transformer architecture in NLP is to encode the meaning of a word given the surrounding words, sentences, and paragraphs. Beyond NLP, other example uses of the Transformer architecture are found in music generation 43 , image generation 44 , image and video restoration [45][46][47][48][49] , game playing agents 50,51 , and drug discovery 52,53 . In this work, we explore how our attention-based architecture, CrabNet, performs in predicting materials properties relative to the common modeling techniques Roost, ElemNet, and random forest (RF) for regression-type problems.…”