arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1902.04057cond-mat.dis-nncond-mat.str-elcs.LG
收藏

多体量子系统有效变分模拟的深度自回归模型

Deep autoregressive models for the efficient variational simulation of many-body quantum systems

The Hebrew University of Jerusalem(耶路撒冷希伯来大学);Flatiron Institute(弗莱提荣研究所)

Or Sharir, Yoav Levine, Noam Wies, Giuseppe Carleo, Amnon Shashua

摘要:

人工神经网络最近被证明是一种有效的表示高度纠缠的多体量子态。在实际应用中,神经网络状态继承了变分蒙特卡罗中使用的数值方案,最值得注意的是使用马尔可夫链蒙特卡罗(MCMC)采样来估计量子期望。MCMC中的局部随机采样以两种方式限制了神经网络的潜在优势:(i)其固有的计算成本对网络的宽度和深度设置了严格的实际限制,因此限制了它们的表达能力;(ii)其难以生成精确和不相关的样本可能导致对观测值的估计与其真实值相差甚远。受机器学习中使用的最先进的生成模型的启发,我们提出了一种专门的神经网络架构,支持高效和精确的采样,完全避免了对马尔可夫链采样的需求。我们展示了二维相互作用自旋模型的方法,展示了在比目前神经网络量子态可访问的系统尺寸更大的系统尺寸上获得准确结果的能力。

英文摘要:

Artificial Neural Networks were recently shown to be an efficient representation of highly-entangled many-body quantum states. In practical applications, neural-network states inherit numerical schemes used in Variational Monte Carlo, most notably the use of Markov-Chain Monte-Carlo (MCMC) sampling to estimate quantum expectations. The local stochastic sampling in MCMC caps the potential advantages of neural networks in two ways: (i) Its intrinsic computational cost sets stringent practical limits on the width and depth of the networks, and therefore limits their expressive capacity; (ii) Its difficulty in generating precise and uncorrelated samples can result in estimations of observables that are very far from their true value. Inspired by the state-of-the-art generative models used in machine learning, we propose a specialized Neural Network architecture that supports efficient and exact sampling, completely circumventing the need for Markov Chain sampling. We demonstrate our approach for two-dimensional interacting spin models, showcasing the ability to obtain accurate results on larger system sizes than those currently accessible to neural-network quantum states.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑