公开(公告)号：US20240111998A1

公开(公告)日：2024-04-04

申请号：US18534252

申请日：2023-12-08

Applicant: Preferred Networks, Inc.

Inventor： Daisuke MOTOKI ,  Chikashi SHINAGAWA ,  So TAKAMOTO ,  Hiroki IRIGUCHI

IPC: G06N3/045 ,  G06N3/084

CPC classification number: G06N3/045 ,  G06N3/084

Abstract: An inferring device includes one or more memories; and one or more processors. The one or more processors are configured to input information on each atom in an atomic system into a second model to infer a difference between energy based on a first-principles calculation corresponding to the atomic system and energy of an interatomic potential function corresponding to the atomic system.

公开(公告)号：US20250005374A1

公开(公告)日：2025-01-02

申请号：US18884988

申请日：2024-09-13

Applicant: Preferred Networks, Inc. ,  ENEOS Corporation

Inventor： So TAKAMOTO ,  Chikashi SHINAGAWA ,  Takafumi ISHII

IPC: G06N3/096 ,  G06N3/04

Abstract: An information processing device includes one or more memories and one or more processors. The one or more processors are configured to input information regarding an atom of a substance to a first model; and obtain information regarding the substance from the first model. The first model is a model which includes: layers from an input layer up to a predetermined layer of a second model to which information regarding atoms is input and which outputs at least one of a value of an energy or a value of a force; and another layer, and which is trained to output the information regarding the substance.

公开(公告)号：US20240127121A1

公开(公告)日：2024-04-18

申请号：US18534130

申请日：2023-12-08

Applicant: Preferred Networks, Inc.

Inventor： Chikashi SHINAGAWA ,  So TAKAMOTO ,  Iori KURATA

IPC: G06N20/00 ,  G06N5/04

CPC classification number: G06N20/00 ,  G06N5/04

Abstract: A training device includes processor. The processor inputs a first atomic structure including a surface and an adsorbed molecule close to the surface into a model to obtain an energy outputted from the model in response to the input, and obtains a first error based on the outputted energy of the first atomic structure and a ground truth value of the energy of the first atomic structure, input a fourth atomic structure including a cluster and an adsorbed molecule close to the cluster into the model to obtain an energy outputted from the model in response to the input, and obtains a fourth error based on the outputted energy of the fourth atomic structure and a ground truth value of the energy of the fourth atomic structure, and update a parameter of the model by the first and the fourth error. The surface and the cluster include the same atom.

公开(公告)号：US20240105288A1

公开(公告)日：2024-03-28

申请号：US18533481

申请日：2023-12-08

Applicant: Preferred Networks, Inc.

Inventor： So TAKAMOTO ,  Chikashi SHINAGAWA

IPC: G16C20/70 ,  G06N3/045

CPC classification number: G16C20/70 ,  G06N3/045

Abstract: An inferring device includes one or more processors. The one or more processors are configured to acquire an output from a neural network model based on information related to an atomic structure and label information related to an atomic simulation, wherein the neural network model is trained to infer a simulation result with respect to the atomic structure generated by the atomic simulation corresponding to the label information.