论文标题

在非平衡dyson方程的数值解中低等级压缩

Low rank compression in the numerical solution of the nonequilibrium Dyson equation

论文作者

Kaye, Jason, Golež, Denis

论文摘要

我们提出了一种改善Keldysh形式主义中非平衡dyson方程的数值求解器的计算和记忆效率的方法。它基于经验观察,即在许多物理感兴趣的问题中引起的非平衡绿色功能和自我能量,被离散为矩阵,具有较低的级别偏高块,因此可以使用层次低等级数据结构来压缩。我们描述了一种有效的算法,可以在随着时间的流逝过程中即时构建这种压缩表示形式,并使用表示形式降低计算历史记录积分的成本,这是主要的计算瓶颈。对于具有层次低等级属性的系统,我们的方法降低了从立方到近二次求解非平衡dyson方程的计算复杂性,以及从二次到近线性的内存复杂性。我们展示了Falicov-kimball模型的完整求解器,该模型暴露于系统参数的快速坡道和浮动驱动器,并能够大大增加可行的传播时间。我们介绍了使用262144个时间步骤的示例,使用直接时间步进方法需要大约五个月的计算时间和2.2 tb的内存,但可以在一天中使用我们的方法在少于4 GB的笔记本电脑上完成,使用我们的方法完成。我们还确认了GW近似中弱耦合方案以及在动态均值场理论中的强耦合方案中,在弱耦合方案中确认了驱动哈伯德模型的层次低等级属性。

We propose a method to improve the computational and memory efficiency of numerical solvers for the nonequilibrium Dyson equation in the Keldysh formalism. It is based on the empirical observation that the nonequilibrium Green's functions and self energies arising in many problems of physical interest, discretized as matrices, have low rank off-diagonal blocks, and can therefore be compressed using a hierarchical low rank data structure. We describe an efficient algorithm to build this compressed representation on the fly during the course of time stepping, and use the representation to reduce the cost of computing history integrals, which is the main computational bottleneck. For systems with the hierarchical low rank property, our method reduces the computational complexity of solving the nonequilibrium Dyson equation from cubic to near quadratic, and the memory complexity from quadratic to near linear. We demonstrate the full solver for the Falicov-Kimball model exposed to a rapid ramp and Floquet driving of system parameters, and are able to increase feasible propagation times substantially. We present examples with 262144 time steps, which would require approximately five months of computing time and 2.2 TB of memory using the direct time stepping method, but can be completed in just over a day on a laptop with less than 4 GB of memory using our method. We also confirm the hierarchical low rank property for the driven Hubbard model in the weak coupling regime within the GW approximation, and in the strong coupling regime within dynamical mean-field theory.

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