论文标题

用于压缩和预测量子状态的贝叶斯推理框架

A Bayesian Inference Framework for Compression and Prediction of Quantum States

论文作者

Rath, Yannic, Glielmo, Aldo, Booth, George H.

论文摘要

最近引入的高斯工艺状态(GPS)根据机器学习方法的动物园的思想,提供了量子多体状态的高度灵活,紧凑且物理上洞察力的表示。在这项工作中,我们全面描述了如何从给定未知目标状态的给定样本中学到这样的状态,并显示基于贝叶斯推论的回归方法如何用于将目标状态压缩为高度紧凑且准确的GPS表示。通过基于相关矢量计算机(RVM)的II型最大似然方法的应用,我们能够从基础希尔伯特空间中提取多体配置,这些配置与目标状态的描述特别相关,作为定义GPS的支持点。以及针对表征建模相关特征加权的模型的超参数的引入优化方案,这使得可以轻松提取状态的物理特征,例如特定相关属性的相对重要性。我们将贝叶斯学习方案应用于对小费米 - 哈伯德链的基接地状态进行建模问题,并表明发现的解决方案代表了模型的稀疏性和准确性之间的系统上改进的权衡。此外,我们展示了博学的超参数和提取的相关配置如何表征波函数的相关性,取决于哈伯德模型的相互作用强度以及表示形式的目标准确性。

The recently introduced Gaussian Process State (GPS) provides a highly flexible, compact and physically insightful representation of quantum many-body states based on ideas from the zoo of machine learning approaches. In this work, we give a comprehensive description how such a state can be learned from given samples of a potentially unknown target state and show how regression approaches based on Bayesian inference can be used to compress a target state into a highly compact and accurate GPS representation. By application of a type II maximum likelihood method based on Relevance Vector Machines (RVM), we are able to extract many-body configurations from the underlying Hilbert space which are particularly relevant for the description of the target state, as support points to define the GPS. Together with an introduced optimization scheme for the hyperparameters of the model characterizing the weighting of modelled correlation features, this makes it possible to easily extract physical characteristics of the state such as the relative importance of particular correlation properties. We apply the Bayesian learning scheme to the problem of modelling ground states of small Fermi-Hubbard chains and show that the found solutions represent a systematically improvable trade-off between sparsity and accuracy of the model. Moreover, we show how the learned hyperparameters and the extracted relevant configurations, characterizing the correlation of the wavefunction, depend on the interaction strength of the Hubbard model as well as the target accuracy of the representation.

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