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Improved machine learning algorithm for predicting ground state properties
DOI:10.1038/s41467-024-45014-7.png)
摘要
En 中文
Finding the ground state of a quantum many-body system is a fundamental problem in quantum physics. In this work, we give a classical machine learning (ML) algorithm for predicting ground state properties with an inductive bias encoding geometric locality. The proposed ML model can efficiently predict ground state properties of an n-qubit gapped local Hamiltonian after learning from only O(log(n))\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${{{{{{{\mathcal{O}}}}}}}}(\log (n))$$\end{document} data about other Hamiltonians in the same quantum phase of matter. This improves substantially upon previous results that require O(nc)\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${{{{{{{\mathcal{O}}}}}}}}({n}<^>{c})$$\end{document} data for a large constant c. Furthermore, the training and prediction time of the proposed ML model scale as O(nlogn)\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${{{{{{{\mathcal{O}}}}}}}}(n\log n)$$\end{document} in the number of qubits n. Numerical experiments on physical systems with up to 45 qubits confirm the favorable scaling in predicting ground state properties using a small training dataset. Recent work proposed a machine learning algorithm for predicting ground state properties of quantum many-body systems that outperforms any non-learning classical algorithm but requires extensive training data. Lewis et al. present an improved algorithm with exponentially reduced training data requirements.
Keyword:
QUANTUM
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期刊
IF:
15.7
论文数:
9.4W
被引数:
91.2W
机构
引用论文
OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital featuresOrbNet: 使用对称适应的原子轨道特征进行量子化学的深度学习

