JP7392203B2 - 訓練装置、訓練方法、プログラム及び推論装置 - Google Patents

訓練装置、訓練方法、プログラム及び推論装置 Download PDF

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JP7392203B2
JP7392203B2 JP2023524992A JP2023524992A JP7392203B2 JP 7392203 B2 JP7392203 B2 JP 7392203B2 JP 2023524992 A JP2023524992 A JP 2023524992A JP 2023524992 A JP2023524992 A JP 2023524992A JP 7392203 B2 JP7392203 B2 JP 7392203B2
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atomic structure
training
energy
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training target
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JPWO2022260179A1 (https=
JPWO2022260179A5 (https=
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幾 品川
聡 高本
伊織 倉田
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Preferred Networks Inc
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    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00—Computing arrangements based on biological models
    • G06N3/02—Neural networks
    • G06N3/04—Architecture, e.g. interconnection topology
    • G06N3/042—Knowledge-based neural networks; Logical representations of neural networks
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N20/00—Machine learning
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00—Computing arrangements based on biological models
    • G06N3/02—Neural networks
    • G06N3/04—Architecture, e.g. interconnection topology
    • G06N3/0464—Convolutional networks [CNN, ConvNet]
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00—Computing arrangements based on biological models
    • G06N3/02—Neural networks
    • G06N3/08—Learning methods
    • G06N3/084—Backpropagation, e.g. using gradient descent
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N5/00—Computing arrangements using knowledge-based models
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    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C60/00—Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00—Computing arrangements based on biological models
    • G06N3/02—Neural networks
    • G06N3/08—Learning methods
    • G06N3/09—Supervised learning
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C10/00—Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/70—Machine learning, data mining or chemometrics

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JP2023524992A 2021-06-11 2022-06-10 訓練装置、訓練方法、プログラム及び推論装置 Active JP7392203B2 (ja)

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JP2021098304 2021-06-11
JP2021098304 2021-06-11
PCT/JP2022/023523 WO2022260179A1 (ja) 2021-06-11 2022-06-10 訓練装置、訓練方法、プログラム及び推論装置

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JP7392203B2 true JP7392203B2 (ja) 2023-12-05

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CN118974837A (zh) * 2022-03-31 2024-11-15 松下知识产权经营株式会社 信息处理方法、信息处理系统以及程序
US12587274B2 (en) 2023-03-28 2026-03-24 Quantum Generative Materials Llc Satellite optimization management system based on natural language input and artificial intelligence
US12368503B2 (en) 2023-12-27 2025-07-22 Quantum Generative Materials Llc Intent-based satellite transmit management based on preexisting historical location and machine learning
US12603701B2 (en) 2023-12-27 2026-04-14 Quantum Generative Materials Llc Distributed satellite constellation management and control system

Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2003303313A (ja) 1996-12-19 2003-10-24 Fujitsu Ltd 粒子シミュレーションシステムおよび記憶媒体
WO2021054402A1 (ja) 2019-09-20 2021-03-25 株式会社 Ｐｒｅｆｅｒｒｅｄ Ｎｅｔｗｏｒｋｓ 推定装置、訓練装置、推定方法及び訓練方法

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Publication number Priority date Publication date Assignee Title
JPH0589074A (ja) * 1991-09-30 1993-04-09 Fujitsu Ltd 二次構造予測装置

Patent Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2003303313A (ja) 1996-12-19 2003-10-24 Fujitsu Ltd 粒子シミュレーションシステムおよび記憶媒体
WO2021054402A1 (ja) 2019-09-20 2021-03-25 株式会社 Ｐｒｅｆｅｒｒｅｄ Ｎｅｔｗｏｒｋｓ 推定装置、訓練装置、推定方法及び訓練方法

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