公开(公告)号：EP3800586A1

公开(公告)日：2021-04-07

申请号：EP20179214.0

申请日：2020-06-10

申请人： Samsung Electronics Co., Ltd.

发明人： HEGDE, Ganesh ,  SIMKA, Harsono S.

IPC分类号： G06N3/04 ,  G06N3/08 ,  G16C20/50

摘要： A method and a system for material design utilizing machine learning are provided, where the underlying joint distribution p(S,P) of structure (S) - property (P) relationships is explicitly learned simultaneously and is utilized to directly generate samples (S,P) in a single step utilizing generative techniques, without any additional processing steps. The subspace of structures that meet or exceed the target for property P is then identified utilizing conditional generation of the distribution (e.g., p(P)), or through randomly generating a large number of samples (S,P) and filtering (e.g., selecting) those that meet target property criteria.