WO2025142956A1 - 情報処理装置、情報処理システム、プログラム、及びイジングモデル作成支援方法 - Google Patents

情報処理装置、情報処理システム、プログラム、及びイジングモデル作成支援方法 Download PDF

Info

Publication number
WO2025142956A1
WO2025142956A1 PCT/JP2024/045754 JP2024045754W WO2025142956A1 WO 2025142956 A1 WO2025142956 A1 WO 2025142956A1 JP 2024045754 W JP2024045754 W JP 2024045754W WO 2025142956 A1 WO2025142956 A1 WO 2025142956A1
Authority
WO
WIPO (PCT)
Prior art keywords
substance
composite material
constraint condition
information processing
constraint
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Pending
Application number
PCT/JP2024/045754
Other languages
English (en)
French (fr)
Japanese (ja)
Inventor
皓亮 角田
俊 坂口
好成 奥野
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Resonac Corp
Original Assignee
Resonac Corp
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Resonac Corp filed Critical Resonac Corp
Priority to CN202480036170.7A priority Critical patent/CN121219782A/zh
Priority to JP2025567144A priority patent/JP7845593B2/ja
Publication of WO2025142956A1 publication Critical patent/WO2025142956A1/ja
Pending legal-status Critical Current
Anticipated expiration legal-status Critical

Links

Images

Classifications

    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N99/00—Subject matter not provided for in other groups of this subclass
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C60/00—Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation

Definitions

  • the present disclosure aims to provide an information processing device, information processing system, program, and Ising model creation support method that can support the creation of an Ising model for allowing an annealing-type optimization machine to solve the problem of searching for an optimal solution for a composite material that has composition constraints.
  • This disclosure has the following configuration:
  • An information processing device that supports the creation of an Ising model for allowing an annealing type optimization machine to solve an optimal solution search problem for a composite material having a composition constraint condition, comprising: an input receiving unit configured to receive input of an objective function that formulates the characteristics of the composite material according to the blend and a constraint condition for the blend; A data creation unit configured to create an Ising model for allowing the annealing type optimization machine to find an optimal solution for the blend that satisfies a constraint condition formula that formulates the constraint conditions for the blend and optimizes the characteristics; having For the substances to be mixed into the composite material, the amount r i of substance i is represented by a bit, and whether or not the substance i is included in the composite material is represented by a bit,
  • the constraint condition formula includes a condition that satisfies the following formula (1) and formula (2):
  • the q A0 is an auxiliary variable that is "0" when the substance A is contained in the composite material and is “1” when the substance A is not contained in the composite material;
  • the qB0 is an auxiliary variable that is “0” when substance B is contained in the composite material and is “1” when substance B is not contained in the composite material;
  • m B is the number of bits required to express the amount r B of substance B mixed in the composite material,
  • the q Bj is a binary number, "0" or "1", representing the composition of the substance B;
  • the constraint equation further includes the conditions that satisfy the following equations (3) and (4):
  • the q A0 is an auxiliary variable that is "0" when the substance A is contained in the composite material and is “1” when the substance A is not contained in the composite material;
  • the qB0 is an auxiliary variable that is "0” when substance B is contained in the composite material and is “1” when substance B is not contained in the composite material;
  • the m A is the number of bits required to express the amount r A of the substance A mixed into the composite material,
  • the q Aj is a binary number "0" or "1” representing the composition of the substance A;
  • the information processing device according to [1], characterized in that the constraint condition equation is formulated such that if at least one of equations (3) and (4) is not satisfied, the mixture is not calculated as an optimal solution.
  • the q ij is a number "0" or "1" representing the binary representation of the composition of substance i; C j is the coefficient of the binary representation of the composition of material i, C1 is the minimum unit amount of the substance to be mixed,
  • m i is a maximum natural number that satisfies C m ⁇ M i,MAX , and M i,MAX is a maximum amount ri of the substance i.
  • An information processing system having an annealing type optimization machine and an information processing device that supports the creation of an Ising model for causing the annealing type optimization machine to solve an optimal solution search problem for a composite material having a combination constraint condition, an input receiving unit configured to receive input of an objective function that formulates the characteristics of the composite material according to the blend and a constraint condition for the blend;
  • a data creation unit configured to create an Ising model for allowing the annealing type optimization machine to find an optimal solution for the blend that satisfies a constraint condition formula that formulates the constraint conditions for the blend and optimizes the characteristics; having For the substances to be mixed into the composite material, the amount r i of substance i is represented by a bit, and whether or not the substance i is included in the composite material is represented by a bit,
  • the constraint condition formula includes a condition that satisfies the following formula (1) and formula (2):
  • the q A0 is an auxiliary variable that is "0" when the substance A is contained in the composite material and is “1” when the substance A is not contained in the composite material;
  • the qB0 is an auxiliary variable that is “0” when substance B is contained in the composite material and is “1” when substance B is not contained in the composite material;
  • m B is the number of bits required to express the amount r B of substance B mixed in the composite material,
  • the q Bj is a binary number, "0" or "1", representing the composition of the substance B;
  • An information processing device that supports the creation of an Ising model for allowing an annealing type optimization machine to solve an optimal solution search problem for a composite material having a combination constraint condition, a step of receiving an input of an objective function that formulates the properties of the composite material according to the blend, and a constraint condition for the blend;
  • a step of creating an Ising model for making the annealing type optimization machine solve an optimal solution of the composition that satisfies a constraint condition equation that formulates the constraint conditions of the composition and optimizes the characteristics;
  • Run the command For the substances to be mixed into the composite material, the amount r i of substance i is represented by a bit, and whether or not the substance i is included in the composite material is represented by a bit,
  • the constraint condition formula includes a condition that satisfies the following formula (1) and formula (2):
  • the q A0 is an auxiliary variable that is "0" when the substance A is contained in the composite material and is “1” when the substance A is not contained in the composite material;
  • the qB0 is an auxiliary variable that is “0” when substance B is contained in the composite material and is “1” when substance B is not contained in the composite material;
  • m B is the number of bits required to express the amount r B of substance B mixed in the composite material,
  • the q Bj is a binary number, "0" or "1", representing the composition of the substance B;
  • the program is characterized in that the constraint condition equation is formulated such that if at least one of equation (1) and equation (2) is not satisfied, the mixture is not calculated as an optimal solution.
  • An Ising model creation support method for an information processing device that supports the creation of an Ising model for causing an annealing type optimization machine to solve an optimal solution search problem for a composite material having a composition constraint condition comprising: Accepting input of an objective function that formulates the properties of the composite material according to the blend and a constraint condition for the blend; creating an Ising model for allowing the annealing type optimization machine to solve an optimal solution for the blend that satisfies a constraint condition equation that formulates the constraint conditions for the blend and optimizes the characteristics;
  • the amount r i of substance i is represented by a bit, and whether or not the substance i is included in the composite material is represented by a bit,
  • the constraint condition formula includes a condition that satisfies the following formula (1) and formula (2):
  • An information processing device that supports the creation of an Ising model for allowing an annealing type optimization machine to solve an optimal solution search problem for a composite material having a composition constraint condition, comprising: an input receiving unit configured to receive input of an objective function that formulates the characteristics of the composite material according to the blend and a constraint condition for the blend; A data creation unit configured to create an Ising model for allowing the annealing type optimization machine to find an optimal solution for the blend that satisfies a constraint condition formula that formulates the constraint conditions for the blend and optimizes the characteristics; having For the substances to be mixed into the composite material, the amount r i of substance i is represented by a bit, and whether or not the substance i is included in the composite material is represented by a bit,
  • the constraint condition formula includes conditions that satisfy the following formulas (6), (7), and (8):
  • the q i0 is an auxiliary variable that is “0” when the substance i is included in the composite material and is “1” when the substance i is not included in the composite material;
  • the m i is the number of bits required to express the amount r i of the substance i to be mixed into the composite material,
  • the q ij is a number "0" or "1" representing the binary representation of the composition of substance i;
  • N is the number of materials i for which constraints are imposed according to equation (8);
  • An information processing device characterized in that the constraint condition equations are formulated such that if at least one of equations (6), (7), and (8) is not satisfied, the equation is not calculated as an optimal solution for the formulation.
  • the present disclosure provides an information processing device, an information processing system, a program, and an Ising model creation support method that can support the creation of an Ising model for allowing an annealing-type optimization machine to solve the problem of searching for an optimal solution for a composite material that has composition constraints.
  • FIG. 1 is a configuration diagram of an example of an information processing system according to an embodiment of the present invention.
  • FIG. 2 is a diagram illustrating an example of a hardware configuration of a computer according to the present embodiment.
  • FIG. 13 is an explanatory diagram of an example of a combination constraint condition.
  • FIG. 13 is an explanatory diagram of an example of a combination constraint condition.
  • 1 is a configuration diagram of an example of an information processing system according to an embodiment of the present invention.
  • FIG. 13 is a diagram illustrating an example of bit notation of a substance.
  • FIG. 13 is a diagram illustrating a specific example of bit representation of “substance 1.”
  • FIG. 13 is a diagram illustrating a specific example of bit representation of “substance 1.”
  • FIG. 13 is a diagram illustrating a specific example of bit representation of “substance 1.”
  • FIG. 13 is a diagram illustrating a specific example of bit representation of “substance 1.”
  • FIG. 13 is a diagram illustrating an example of bit notation of a substance.
  • FIG. 1 is a diagram illustrating an example of bit representation of a composition of a composite material.
  • FIG. 11 is an explanatory diagram of an example of constraint conditions shown in equations (12) and (13).
  • FIG. 11 is an explanatory diagram of an example of constraint conditions shown in equations (12) and (13).
  • FIG. 11 is an explanatory diagram of an example of the constraint conditions shown in equations (14) and (15).
  • FIG. 11 is an explanatory diagram of an example of the constraint conditions shown in equations (14) and (15).
  • FIG. 11 is an explanatory diagram of an example of the constraint conditions shown in equations (14) and (15).
  • FIG. 13 is a diagram for explaining an example of using the constraint conditions shown in equations (14) and (15).
  • FIG. 13 is a diagram for explaining an example of using the constraint conditions shown in equations (14) and (15).
  • FIG. 13 is a diagram for explaining an example of using the constraint conditions shown in equations (14) and (15).
  • FIG. 13 is a diagram for explaining an example of using the constraint conditions shown in equations (14) and (15).
  • FIG. 13 is a diagram for explaining an example of using the constraint conditions shown in equations (14), (15), (16), and (17).
  • FIG. 13 is a diagram for explaining an example of using the constraint conditions shown in equations (14), (15), (16), and (17).
  • 1 is a flowchart showing an example of a processing procedure of an information processing system according to the present embodiment.
  • FIG. 13 is a diagram for explaining an example of using the constraint condition shown in equation (18).
  • FIG. 13 is a diagram for explaining an example of using the constraint condition shown in equation (18).
  • Fig. 1 is a configuration diagram of an example of an information processing system according to this embodiment.
  • the information processing system 1 shown in Fig. 1 has an annealing-type optimization machine 10 and an information processing device 12.
  • the annealing-type optimization machine 10 and the information processing device 12 are connected to each other so as to be able to communicate data with each other via a communication network 18 such as a local area network (LAN) or the Internet.
  • a communication network 18 such as a local area network (LAN) or the Internet.
  • the annealing optimization machine 10 is an example of a device that uses an Ising model to solve an optimal solution search problem (optimization problem).
  • An optimization problem is a problem of finding a solution that minimizes or maximizes an objective function among solutions that satisfy constraint conditions.
  • the solution to be found is expressed using decision variables.
  • the objective function is a function in which the value to be minimized or maximized is expressed using decision variables.
  • Constraint conditions are relational expressions in which requirements that must be satisfied are expressed using decision variables.
  • a combinatorial optimization problem is an optimization problem with a combinatorial structure.
  • a combinatorial optimization problem is a problem of finding a combination of decision variables that minimizes or maximizes an objective function among combinations of decision variables that satisfy constraints.
  • the annealing type optimization machine 10 may be realized by a quantum computer using a quantum annealing method, or may be realized by an Ising machine (annealing machine) in which the quantum annealing method is realized by digital circuits such as an FPGA (Field Programmable Gate Array) or a GPU (Graphics Processing Unit).
  • the annealing type optimization machine 10 may be realized by, for example, a Digital Annealer (registered trademark), which is an example of an Ising machine.
  • the annealing optimization machine 10 solves the optimization problem reduced to an Ising model by the convergence operation of the Ising model.
  • the Ising model can also be expressed using QUBO.
  • the energy function of the Ising model and the cost function of QUBO are equivalent due to variable transformation.
  • the Ising model is a statistical mechanics model that represents the behavior of magnetic materials.
  • the Ising model has the property that the spin state is updated so that the energy (Hamiltonian) is minimized due to the interaction between the spins of the magnetic material, and the energy is ultimately minimized.
  • the annealing-type optimization machine 10 reduces the optimization problem to the Ising model, finds the state in which the energy is minimized, and solves that state as the optimal solution for the optimization problem.
  • 10A and 10B are explanatory diagrams of an example of the constraint conditions shown in formulas (12) and (13).
  • 10A and 10B show an example of calculation of formulas (12) and (13) for "substance 1".
  • m i is "7".
  • m b included in formulas (14) and (15) is the maximum natural number for which C m ⁇ M i,MAX .
  • m B included in formulas (14) and (15) is the number of discrete numbers indicating the amount r i of substance B. Therefore, m B +1 indicates the number of bits reserved for substance B plus the auxiliary bit indicating the auxiliary variable q B0 .
  • m a included in formulas (16) and (17) is the maximum natural number for which C m ⁇ M i,MAX .
  • m A included in formulas (16) and (17) is the number of discrete numbers indicating the amount r i of substance A. Therefore, m A +1 indicates the number of bits reserved for substance A plus the auxiliary bit indicating the auxiliary variable q A0 .
  • the inequality-type constraint in equation (16) is a constraint condition for determining that the second term on the left side is “0 to m A ” when the auxiliary variable q B0 on the left side is “1 ” , and for determining that the second term on the left side is “0” when the auxiliary variable q B0 on the left side is “0”.
  • Figures 12A to 12D are diagrams for explaining an example of using the constraint conditions shown in formulas (14) and (15).
  • Figures 12A to 12D show an example of material B where m B is "7".
  • Figures 12A to 12D show an example where constraints are imposed on material B. To make the opposite happen, we will explain an example where a similar constraint is imposed on material A.
  • FIG. 13A and 13B are diagrams for explaining examples of using the constraint conditions shown in formulas (14), (15), (16), and (17). Note that in Fig. 13A and 13B, an example is shown in which m A and m B are "7".
  • constraints can be imposed on each combination of substances to be avoided so that the incompatible combinations are not selected as optimal combinations. For example, if there are combinations of substances that will not mix due to incompatibility, such as miscibility, and such combinations are known in advance, it is possible to avoid unnecessary searches by imposing constraints as described above.
  • N included in formula (18) is the number of substances i to which a constraint condition is imposed by formula (18).
  • the left side is the number of substances i that are not used among the substances i to which a constraint condition is imposed.
  • the inequality-type constraint in formula (18) is a constraint condition for determining whether the number of unused substances i is equal to or greater than "N-1".
  • Figure 15 is a diagram explaining an example of using the constraint condition shown in formula (18). Note that Figure 15 shows an example in which the number of substances i to which the constraint condition is imposed is "2".
  • the annealing-type optimization machine 10 transmits information representing the calculated optimal solution to the information processing device 12.
  • the information processing device 12 converts the information (bit information) representing the optimal solution received from the annealing-type optimization machine 10 into user-friendly information such as the composition of substances in the composite material, and outputs it.
  • the information processing device 12 displays the composition (substance names) of the composite material that is the optimal solution, and the amounts of those substances.

Landscapes

  • Engineering & Computer Science (AREA)
  • Theoretical Computer Science (AREA)
  • Computing Systems (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Physics & Mathematics (AREA)
  • General Engineering & Computer Science (AREA)
  • General Physics & Mathematics (AREA)
  • Mathematical Physics (AREA)
  • Software Systems (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
PCT/JP2024/045754 2023-12-28 2024-12-24 情報処理装置、情報処理システム、プログラム、及びイジングモデル作成支援方法 Pending WO2025142956A1 (ja)

Priority Applications (2)

Application Number Priority Date Filing Date Title
CN202480036170.7A CN121219782A (zh) 2023-12-28 2024-12-24 信息处理装置、信息处理系统、程序、以及伊辛模型制作支援方法
JP2025567144A JP7845593B2 (ja) 2023-12-28 2024-12-24 情報処理装置、情報処理システム、プログラム、及びイジングモデル作成支援方法

Applications Claiming Priority (4)

Application Number Priority Date Filing Date Title
JP2023222639 2023-12-28
JP2023-222639 2023-12-28
JP2024033063 2024-03-05
JP2024-033063 2024-03-05

Publications (1)

Publication Number Publication Date
WO2025142956A1 true WO2025142956A1 (ja) 2025-07-03

Family

ID=96219130

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/JP2024/045754 Pending WO2025142956A1 (ja) 2023-12-28 2024-12-24 情報処理装置、情報処理システム、プログラム、及びイジングモデル作成支援方法

Country Status (3)

Country Link
JP (1) JP7845593B2 (https=)
CN (1) CN121219782A (https=)
WO (1) WO2025142956A1 (https=)

Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2022082064A (ja) * 2020-11-20 2022-06-01 富士通株式会社 混合物物性特定方法、混合物物性特定装置、及び混合物物性特定プログラム
WO2023167107A1 (ja) * 2022-03-01 2023-09-07 株式会社レゾナック 情報処理装置、情報処理システム、プログラム、及び材料組成探索方法

Patent Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2022082064A (ja) * 2020-11-20 2022-06-01 富士通株式会社 混合物物性特定方法、混合物物性特定装置、及び混合物物性特定プログラム
WO2023167107A1 (ja) * 2022-03-01 2023-09-07 株式会社レゾナック 情報処理装置、情報処理システム、プログラム、及び材料組成探索方法

Also Published As

Publication number Publication date
CN121219782A (zh) 2025-12-26
JPWO2025142956A1 (https=) 2025-07-03
JP7845593B2 (ja) 2026-04-14

Similar Documents

Publication Publication Date Title
US10198425B2 (en) Methods and apparatus for reusing report design components and templates
US8171390B1 (en) Method and system for viewing and transferring data between documents
US6862601B2 (en) Method, system, and program for transforming files from a source file format to a destination file format
CN101128816A (zh) 用于显示分页内容并与之交互的方法和系统
JP7414194B1 (ja) 情報処理装置、情報処理システム、プログラム、及びイジングモデル作成支援方法
US20090248740A1 (en) Database form and report creation and reuse
JP2025028938A (ja) 材料組成探索方法を用いる混合材料の生成方法
WO2025142956A1 (ja) 情報処理装置、情報処理システム、プログラム、及びイジングモデル作成支援方法
JP7468812B1 (ja) 情報処理装置、情報処理システム、プログラム、及びイジングモデル作成支援方法
JP2007532997A (ja) オブジェクトおよびエンティティの表示を構築するための方法および装置
US8082528B2 (en) Process-independent schema library
US9710443B2 (en) Simplifying access to documents accessed recently in a remote system
CN112417832A (zh) 一种电子表格文档的格式转换方法、装置及电子设备
WO2022260029A1 (ja) 情報処理システム、材料組成探索方法、材料組成探索装置、及びプログラム
WO2025044758A1 (zh) 信息处理方法、装置、电子设备和存储介质
CN109683883A (zh) 一种流程图设计方法及装置
US20240370135A1 (en) Information processing apparatus, program, and input support method
JP2012141687A (ja) 画像形成装置用表示属性ファイル生成装置
Lunney Policy lessons from the 1%
CN116108820A (zh) 表单生成方法、装置、电子设备及存储介质
Schoenen et al. Arthur Suite V. 3.0 Symyx Technologies, Inc., 3100 Central Expressway, Santa Clara, CA 95051. www. symyx. com. See Web site for pricing information.
WO2023028832A1 (zh) 数据显示方法、装置、存储介质及电子设备
CN102567298B (zh) 一种新建文档的实现方法及装置
CN118819835A (zh) 开放数据管理平台的构建方法及交互方法
CN112347435A (zh) 基于数据权限的计算机辅助资源投放管理方法及平台

Legal Events

Date Code Title Description
121 Ep: the epo has been informed by wipo that ep was designated in this application

Ref document number: 24912842

Country of ref document: EP

Kind code of ref document: A1

ENP Entry into the national phase

Ref document number: 2025567144

Country of ref document: JP

Kind code of ref document: A

WWE Wipo information: entry into national phase

Ref document number: CN2024800361707

Country of ref document: CN