Title:
ARTIFICIAL INTELLIGENCE-BASED DEVICE, METHOD, AND PROGRAM FOR PREDICTING PHYSICAL PROPERTY OF MIXTURE
Document Type and Number:
WIPO Patent Application WO/2024/085616
Kind Code:
A1
Abstract:
A device for predicting the physical properties of a mixture including a plurality of materials is disclosed. The device may comprise: a memory in which a first AI model trained to output first feature data of material information, and a second AI model trained to output physical property prediction information of the first feature data are stored; and a processor for executing the first AI model and the second AI model, wherein the processor may input, into the first AI model, material information of each of the plurality of materials to acquire first feature data of each of the plurality of materials, and input the first feature data into the second AI model to acquire physical property prediction information of the mixture.
Inventors:
PARK CHANGYOUNG (KR)
YANG HONGJUN (KR)
LEE JAEWAN (KR)
HAN SEHUI (KR)
JEON HYELIM (KR)
LEE BORAM (KR)
LEE CHANGHOON (KR)
YANG HONGJUN (KR)
LEE JAEWAN (KR)
HAN SEHUI (KR)
JEON HYELIM (KR)
LEE BORAM (KR)
LEE CHANGHOON (KR)
Application Number:
PCT/KR2023/016080
Publication Date:
April 25, 2024
Filing Date:
October 17, 2023
Export Citation:
Assignee:
LG MAN DEVELOPMENT INSTITUTE CO LTD (KR)
LG ENERGY SOLUTION LTD (KR)
LG ENERGY SOLUTION LTD (KR)
International Classes:
G16C20/30; G16C20/20; G16C20/70
Foreign References:
| KR20200023164A | 2020-03-04 | |||
| KR20210116139A | 2021-09-27 | |||
| CN114512203A | 2022-05-17 |
Other References:
ANTHONY YU-TUNG WANG, STEVEN K. KAUWE, RYAN J. MURDOCK, TAYLOR D. SPARKS: "Compositionally restricted attention-based network for materials property predictions", MESOSCALE AND NANOSCALE PHYSICS, vol. 7, no. 1, XP093162766, ISSN: 2057-3960, DOI: 10.1038/s41524-021-00545-1
R. E. SKYNER, J. L. MCDONAGH, C. R. GROOM, T. VAN MOURIK, J. B. O. MITCHELL: "A review of methods for the calculation of solution free energies and the modelling of systems in solution", PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ROYAL SOCIETY OF CHEMISTRY, vol. 17, no. 9, 1 January 2015 (2015-01-01), pages 6174 - 6191, XP055478642, ISSN: 1463-9076, DOI: 10.1039/C5CP00288E
TANG BOWEN, KRAMER SKYLER T., FANG MEIJUAN, QIU YINGKUN, WU ZHEN, XU DONG: "A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility", JOURNAL OF CHEMINFORMATICS, vol. 12, no. 1, 1 December 2020 (2020-12-01), XP055809099, DOI: 10.1186/s13321-020-0414-z
R. E. SKYNER, J. L. MCDONAGH, C. R. GROOM, T. VAN MOURIK, J. B. O. MITCHELL: "A review of methods for the calculation of solution free energies and the modelling of systems in solution", PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ROYAL SOCIETY OF CHEMISTRY, vol. 17, no. 9, 1 January 2015 (2015-01-01), pages 6174 - 6191, XP055478642, ISSN: 1463-9076, DOI: 10.1039/C5CP00288E
TANG BOWEN, KRAMER SKYLER T., FANG MEIJUAN, QIU YINGKUN, WU ZHEN, XU DONG: "A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility", JOURNAL OF CHEMINFORMATICS, vol. 12, no. 1, 1 December 2020 (2020-12-01), XP055809099, DOI: 10.1186/s13321-020-0414-z
Attorney, Agent or Firm:
KIM, Myung Hoon (KR)
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