電子状態計算のためのハイブリッドテンソルネットワークを用いた量子計算量子モンテカルロ

• Item type: SIG Technical Reports(1)
• 公開日: 2024-03-21
• タイトル: 電子状態計算のためのハイブリッドテンソルネットワークを用いた量子計算量子モンテカルロ
• タイトル / 言語: en
• タイトル: Quantum computing quantum Monte Carlo with hybrid tensor network for electronic structure calculations
• 言語: eng
• 資源タイプ / 資源タイプ識別子: http://purl.org/coar/resource_type/c_18gh
• 資源タイプ: technical report
• 著者所属: 三菱ケミカルScience & Innovation Center／慶應義塾大学量子コンピューティングセンター
• 著者所属(英): en
• 著者所属(英): Science & Innovation Center, Mitsubishi Chemical Corporation / Quantum Computing Center, Keio University
• 著者名: 菅野, 志優
• 論文抄録 / 内容記述タイプ: Other
• 論文抄録 / 内容記述: Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit. We propose an algorithm combining QC-QMC with a hybrid tensor network to extend the applicability of QC-QMC beyond a single quantum device size. In a two-layer quantum-quantum tree tensor, our algorithm for the larger trial wave function can be executed than preparable wave function in a device. Our algorithm is evaluated on the Heisenberg chain model, graphite-based Hubbard model, hydrogen plane model, and MonoArylBiImidazole using full configuration interaction QMC. In certain conditions, our algorithm can achieve energy accuracy (specifically, variance) several orders of magnitude higher than QMC, and the hybrid tensor version of QMC gives the same energy accuracy as QC-QMC when the system is appropriately decomposed. Moreover, we develop a pseudo-Hadamard test technique that enables efficient overlap calculations between a trial wave function and an orthonormal basis state. In a real device experiment by using the technique, we obtained almost the same accuracy as the statevector simulator, indicating the noise robustness of our algorithm. This work is based on the collaborative research [1].
• 論文抄録(英) / 内容記述タイプ: Other
• 論文抄録(英) / 内容記述: Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit. We propose an algorithm combining QC-QMC with a hybrid tensor network to extend the applicability of QC-QMC beyond a single quantum device size. In a two-layer quantum-quantum tree tensor, our algorithm for the larger trial wave function can be executed than preparable wave function in a device. Our algorithm is evaluated on the Heisenberg chain model, graphite-based Hubbard model, hydrogen plane model, and MonoArylBiImidazole using full configuration interaction QMC. In certain conditions, our algorithm can achieve energy accuracy (specifically, variance) several orders of magnitude higher than QMC, and the hybrid tensor version of QMC gives the same energy accuracy as QC-QMC when the system is appropriately decomposed. Moreover, we develop a pseudo-Hadamard test technique that enables efficient overlap calculations between a trial wave function and an orthonormal basis state. In a real device experiment by using the technique, we obtained almost the same accuracy as the statevector simulator, indicating the noise robustness of our algorithm. This work is based on the collaborative research [1].
• 書誌レコードID / 収録物識別子タイプ: NCID
• 書誌レコードID / 収録物識別子: AA12894105
• 書誌情報: 研究報告量子ソフトウェア（QS）; 巻 2024-QS-11, 号 26, p. 1-10, 発行日 2024-03-21
• ISSN / 収録物識別子タイプ: ISSN
• ISSN / 収録物識別子: 2435-6492
• Notice: SIG Technical Reports are nonrefereed and hence may later appear in any journals, conferences, symposia, etc.
• 出版者 / 言語: ja
• 出版者: 情報処理学会