公开(公告)号：US20250036713A1

公开(公告)日：2025-01-30

申请号：US18783815

申请日：2024-07-25

Applicant: Preferred Networks, Inc.

Inventor： Iori KURATA

IPC: G06F17/11

Abstract: An inference apparatus according to an embodiment includes at least one memory and at least one processor. The at least one processor calculates a Hamiltonian as an initial value regarding a substance based on a neural network algorithm, and calculates a non-equilibrium Green's function regarding the substance based on the Hamiltonian as the initial value.

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.