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Optimization device, optimization system, optimization method, and recording medium

A device and optimal value technology, applied in chemical statistics, chemical property prediction, design optimization/simulation, etc., can solve problems such as search results deviate from the optimal solution, and it is difficult to accurately search for the optimal solution

Pending Publication Date: 2020-11-17
FUJITSU LTD
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

However, when the prior distribution is set with limited input data and Bayesian inference is performed, the search result (solution) may deviate from the optimal solution
Therefore, it is difficult to accurately search for the optimal solution

Method used

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  • Optimization device, optimization system, optimization method, and recording medium
  • Optimization device, optimization system, optimization method, and recording medium
  • Optimization device, optimization system, optimization method, and recording medium

Examples

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no. 1 approach

[0025] figure 1 An example of the optimization system according to the first embodiment is shown.

[0026] An optimization system 10 according to the first embodiment includes an optimization device 11 and a simulation device 12 .

[0027] The optimization device 11 includes a control unit 11a and a storage unit 11b.

[0028] The control unit 11a generates a Bayesian model based on the input data by constructing the problem of searching for a combination of values ​​of a plurality of parameters (optimum solution) that gives an optimal value with respect to the characteristic value of the target substance. obtained from the model.

[0029] The input data are simulation results, experimental results, and the like of characteristic values ​​obtained when using several combinations of values ​​of a plurality of parameters. Various values ​​such as electrical conductivity and permittivity of the target substance can be applied as characteristic values ​​with respect to the targe...

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Abstract

The invention provides an optimization device, an optimization system, an optimization method, and a recording medium. The optimization apparatus includes: a control unit configured to generate, on the basis of input data, a Bayesian model obtained by modeling a problem of searching for a combination of values of a plurality of parameters which gives an optimum value of a characteristic value regarding a target substance, generate, on the basis of one or several input values of parameters among the plurality of parameters, a search space that is included in an entire search space obtained fromall combinations of the values of the plurality of parameters and is narrower than the entire search space, and execute a search for the combination using the Bayesian model in the search space.

Description

technical field [0001] Embodiments discussed herein relate to an optimization device, an optimization system, an optimization method, and a recording medium recording an optimization program. Background technique [0002] In recent years, a field called materials informatics has attracted attention for improving the quality and efficiency of material design / manufacturing by adding information processing technology using artificial intelligence (AI) or the like to the material design / manufacturing process. Materials informatics uses data obtained from experiments or theoretical calculations to search for characteristic factors and the like of new materials based on statistical learning. [0003] As an example of materials informatics, Bayesian inference is combined with first-principles calculations, one of the materials simulation methods to determine the optimal composition of high-performance materials. [0004] Bayesian inference is a method of inferring optimal events f...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16C20/10G16C20/70G06N7/00
CPCG16C20/10G16C20/70G06N7/01G06F30/23G06F30/27G16C60/00G16C20/30H01M10/052H01M10/056Y02E60/10G06F17/10G06F18/217
Inventor 刘宇
Owner FUJITSU LTD