Topology optimization of analog circuit design via global optimization using factorization machines with digital annealer

HIDA, Masaharu; IKEDA, Hiroshi; MARUO, Akito; SATO, Masaru; YAMAZAKI, Takashi

doi:10.1299/jamdsm.2024jamdsm0076

JAMDSM

2024

DOI: 10.1299/jamdsm.2024jamdsm0076

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Topology optimization of analog circuit design via global optimization using factorization machines with digital annealer

Masaharu HIDA,

Hiroshi IKEDA,

Akito MARUO

et al.

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2024

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Characteristics maximization through halogenation in hexa-peri-hexabenzocoronene utilizing quantum inspired technology

Hashiguchi,

Maruo,

Soeda

et al. 2024

Bulletin of the Chemical Society of Japan

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This article demonstrates a high-speed search for polycyclic aromatic hydrocarbons with desirable properties, combining Fujitsu's Quantum-inspired Computing Digital Annealer (DA) with density functional theory (DFT) calculations. The target compound is a nanographene based on hexa-peri-hexabenzocoronene (HBC), known for its wide π-conjugated plane, enabling high electron conductivity and molecular alignment. We optimized halogen substituents (F, Cl) in HBC to maximize dipole moment and minimize lowest unoccupied molecular orbital (LUMO), calculated by DFT. A bit representation was used for 18 hydrogen atom substitutions. Factorization Machines (FM) were employed for formulation, and optimization was performed using DA (FM-DA). However, its dependence on initial data led to the development of FM-DA&GA, incorporating Genetic Algorithm (GA) for parallel recommendations. FM-DA&GA effectively searched through 236 (approximately 68.7 billion) bit combinations, finding the optimal solution. These bit combinations correspond to 318 (approximately 387 million) chemical structures, if chemical symmetry is disregarded. The combined approach of DA's fast search on the FM model and GA's global search prevented local solution traps, enabling a more efficient and comprehensive exploration of the solution space. This synergistic effect represents a powerful tool for efficient material discovery, particularly in overcoming the limitations of traditional optimization methods.

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Characteristics maximization through halogenation in hexa-peri-hexabenzocoronene utilizing quantum inspired technology

Hashiguchi,

Maruo,

Soeda

et al. 2024

Bulletin of the Chemical Society of Japan

View full text Add to dashboard Cite

show abstract

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Topology optimization of analog circuit design via global optimization using factorization machines with digital annealer

Cited by 1 publication

References 20 publications

Characteristics maximization through halogenation in hexa-peri-hexabenzocoronene utilizing quantum inspired technology

Characteristics maximization through halogenation in hexa-peri-hexabenzocoronene utilizing quantum inspired technology

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