论文标题

具有神经网络的量子系统的数据驱动时间传播

Data-Driven Time Propagation of Quantum Systems with Neural Networks

论文作者

Nelson, James, Coopmans, Luuk, Kells, Graham, Sanvito, Stefano

论文摘要

我们研究了监督机器学习的潜力,以及时传播量子系统。尽管可以轻松地学习马尔可夫动力学,但鉴于足够的数据,非马克维亚系统是非平凡的,其描述需要对过去状态的记忆知识。在这里,我们通过将简单的1D海森贝格模型作为多体汉密尔顿人来分析这种记忆的特征,并通过在单粒子还原的密度矩阵上代表系统来构建非马克维亚描述。发现该表示需要重现时间依赖性动力学所需的过去状态数量,其自旋数和系统频谱的密度呈指数增长。最重要的是,我们证明神经网络可以在将来的任何时候作为时间传播器起作用,并且可以在形成自动降低的及时加入它们。这种神经网络自动锻炼可用于产生长期和任意的密集时间轨迹。最后,我们研究表示系统内存所需的时间分辨率。我们找到了两个机制:对于精细的内存采样,所需的内存保持恒定,而粗略采样需要更长的内存,尽管总时间步数保持恒定。这两个制度之间的边界是由对应于系统频谱最高频率的周期设置的,这表明神经网络可以克服Shannon-Nyquist采样定理设定的限制。

We investigate the potential of supervised machine learning to propagate a quantum system in time. While Markovian dynamics can be learned easily, given a sufficient amount of data, non-Markovian systems are non-trivial and their description requires the memory knowledge of past states. Here we analyse the feature of such memory by taking a simple 1D Heisenberg model as many-body Hamiltonian, and construct a non-Markovian description by representing the system over the single-particle reduced density matrix. The number of past states required for this representation to reproduce the time-dependent dynamics is found to grow exponentially with the number of spins and with the density of the system spectrum. Most importantly, we demonstrate that neural networks can work as time propagators at any time in the future and that they can be concatenated in time forming an autoregression. Such neural-network autoregression can be used to generate long-time and arbitrary dense time trajectories. Finally, we investigate the time resolution needed to represent the system memory. We find two regimes: for fine memory samplings the memory needed remains constant, while longer memories are required for coarse samplings, although the total number of time steps remains constant. The boundary between these two regimes is set by the period corresponding to the highest frequency in the system spectrum, demonstrating that neural network can overcome the limitation set by the Shannon-Nyquist sampling theorem.

扫码加入交流群

加入微信交流群

微信交流群二维码

扫码加入学术交流群,获取更多资源