ESTIMATE DEVICE, TRAINING DEVICE, ESTIMATE METHOD, AND TRAINING METHOD

ESTIMATE DEVICE, TRAINING DEVICE, ESTIMATE METHOD, AND TRAINING METHOD

To construct an energy prediction model of a material system.SOLUTION: An estimate device comprises one or more memories, and one or more processors. The one or more processors input a vector about an atom, to a first network which extracts an atomic feature in a latent space from a vector about an...

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Bibliographische Detailangaben
1. Verfasser: MOTOKI DAISUKE
Format: Patent
Sprache:eng ; jpn
Schlagworte:
CALCULATING
COMPUTER SYSTEMS BASED ON SPECIFIC COMPUTATIONAL MODELS
COMPUTING
COUNTING
ELECTRIC DIGITAL DATA PROCESSING
PHYSICS
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Beschreibung
Zusammenfassung:To construct an energy prediction model of a material system.SOLUTION: An estimate device comprises one or more memories, and one or more processors. The one or more processors input a vector about an atom, to a first network which extracts an atomic feature in a latent space from a vector about an atom, and estimate the feature of the atom in the latent space, via the first network.SELECTED DRAWING: Figure 1 【課題】物質系のエネルギー予測モデルを構築する。【解決手段】推定装置は、１又は複数のメモリと、１又は複数のプロセッサと、を備える。前記１又は複数のプロセッサは、原子に関するベクトルから潜在空間における原子の特徴を抽出する第１ネットワークに、前記原子に関するベクトルを入力し、前記第１ネットワークを介して、潜在空間における原子の特徴を推定する。【選択図】図１