著者

野田 恭平 高橋 久尚 津田 宏治 廣島 雅人

出版者

一般社団法人 人工知能学会

雑誌

人工知能学会論文誌 (ISSN:13460714)

巻号頁・発行日

vol.38, no.2, pp.E-M93_1-11, 2023-03-01 (Released:2023-03-01)

参考文献数

18

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Due to the increase in material databases in recent years, there has been a lot of research regarding deep learning models which use large sizes of datasets and are aimed at the prediction of the material properties of inorganic compounds. Particularly, prediction models with Self-Attention structures, such as Roost and CrabNet, have garnered attention because of two reasons: (1) input variables are confined to the chemical composition of each formula and (2) Self-Attention enables models to learn individual element representations based on their chemical environment. However, the existing Self- Attention model yields low prediction accuracy when predicting structure-dependent material properties, such as the magnetic moment, for lack of structural information of compounds as input. In this research, based on the existing Self- Attention model, we set both elemental and structural information, especially the space group number and lattice constant, as input information and successfully construct a prediction model that is more versatile than existing methods. Furthermore, we visualized lists of promising materials by adopting Bayesian optimization. As a result, we have developed a system to propose desired materials for materials researchers.

著者

日比野 英彦 海野 麻未 高島 瑞夫 西川 徹 野田 恭平 高橋 清久

出版者

Japan Oil Chemists' Society

雑誌

油化学 (ISSN:18842003)

巻号頁・発行日

vol.41, no.4, pp.341-346, 1992-04-20 (Released:2009-10-16)

参考文献数

26

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Although clinical attempts have been made to treat patients with senile dementia using phosphatidylcholine (PC) or acetylcholine (Ach) esterase inhibitors to restore central cholinergic transmission by increasing Ach contents in the brain, definite positive results have yet to be obtained. To investigate further the influence of the systemic administration of PC on brain Ach, we measured choline (Cho) and Ach contents in discrete brain regions of rat by HPLC with an electrochemical detector, following an acute administration of PC. Cho contents increased in the frontal cortex, striatum and substantia innomimata after acute intraperitoneal administration of soybean PC in liposome form. Cho contents were not affected in any region after acute injection of egg PC. Ach contents were not affected significantly in any brain region after acute administration of each PC substance. It thus follows that Cho contents increase by the systemic administration of highly purified PC, and PC may possibly pass the blood brain barrier. However, PC administration is not capable of accelerating Ach synthesis in the brain.