INFORMATION PROCESSING METHOD, INFORMATION PROCESSING SYSTEM, AND NON-TRANSITORY COMPUTER-READABLE RECORDING MEDIUM

    公开(公告)号:US20250029683A1

    公开(公告)日:2025-01-23

    申请号:US18906211

    申请日:2024-10-04

    Abstract: An information processing method is an information processing method to be executed by a computer. The information processing method includes acquiring experimental spectrum information indicating an experimental spectrum obtained by actually measuring a material to be searched for; acquiring material information regarding a composition of the material; generating, based on the material information, pieces of candidate structure information regarding candidate structures that are candidates for a crystal structure of the material, and acquiring computational spectrum information indicating computational spectra each corresponding to a corresponding one of the candidate structures; generating structure information regarding the crystal structure, based on a correlation between the experimental spectrum information and the computational spectrum information; and outputting the generated structure information.

    PROPERTY DISPLAY DEVICE, PROPERTY DISPLAY METHOD, AND NON-TRANSITORY COMPUTER-READABLE MEDIUM

    公开(公告)号:US20230034028A1

    公开(公告)日:2023-02-02

    申请号:US17938530

    申请日:2022-10-06

    Abstract: A property display device includes: a search content acquirer that acquires search variables and search data; a property value acquirer that acquires property values of a compound corresponding to the search data; a priority setter that sets a priority of the search variables; a display format determiner that determines a display format of the property of the compound by assigning search variables of high priority to coordinate axes A1 and A2 of color maps Ma and assigning search variables of lower priority than the search variables of high priority to array direction axes A3 and A4 of a first array map Mb1; and an image processor that generates at least one first array map Mb1 as a single image on the basis of the search data, the property values, and the display format.

    ELECTRON DENSITY ESTIMATION METHOD, ELECTRON DENSITY ESTIMATION APPARATUS, AND RECORDING MEDIUM

    公开(公告)号:US20210110307A1

    公开(公告)日:2021-04-15

    申请号:US17128298

    申请日:2020-12-21

    Abstract: An electron density estimation method includes calculating a first electron density by inputting first input data to an electron density estimator, performing a numerical simulation using the first input data and the first electron density to calculate a second electron density, the numerical simulation being processing in which the first input data and the first electron density are set as initial values and in which electron density update processing using a density functional method is performed one or more times, the second electron density being not a convergence value obtained by the density functional method, performing learning for the estimator by calculating a parameter for the estimator, the parameter minimizing a difference between the first and second electron densities, obtaining, from a database, and inputting second input data to the estimator, in which the parameter is set, to estimate a third electron density, and outputting the third electron density.

    ANOMALY DETECTION METHOD AND RECORDING MEDIUM

    公开(公告)号:US20190098034A1

    公开(公告)日:2019-03-28

    申请号:US16135520

    申请日:2018-09-19

    Abstract: An anomaly detection method includes generating second data by adding normal noise to first data; generating third data by adding abnormal noise to the first data; inputting the first data, the second data, and the third data to a neural network; calculating a first normal score, a second normal score, and a third normal score; calculating a third difference based on a first difference and a second difference, the first difference being based on a difference between the first normal score and the second normal score, the second difference being based on a difference between the first normal score and the third normal score; changing the neural network so that the third difference becomes smallest; inputting, to the changed neural network, fourth data that is unknown in terms of whether the fourth data is normal or abnormal; and determining whether the fourth data is normal or abnormal.

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