公开(公告)号：US20220101276A1

公开(公告)日：2022-03-31

申请号：US16948767

申请日：2020-09-30

Applicant: X Development LLC

Inventor： Diosdado Rey Banatao ,  Gearoid Murphy ,  Anarbek Iskaliyev

IPC: G06Q10/00 ,  G06F40/42 ,  G06N3/04 ,  G01N21/01

Abstract: A method for generating spectroscopic data includes inputting, by a computing device, a text string comprising a structural representation of a material to an encoder of a natural language processing (NLP) model implemented with a deep neural network. The method includes generating, using the encoder of the NLP model, an encoded representation of the text string. The text string may include latent chemical bond information of the material. The method includes mapping, by the computing device, the encoded representation including the latent chemical bond information to a spectrum array, the spectrum array including predicted spectroscopic data of the material. The method also includes outputting, by the computing device, the spectrum array.