Bridging the Gap between Deep Learning and Frustrated Quantum Spin System for Extreme-Scale Simulations on New Generation of Sunway Supercomputer

• Published in: IEEE transactions on parallel and distributed systems 2022-11, Vol.33 (11), p.2846-2859
• Main Authors: Li, Mingfan, Chen, Junshi, Xiao, Qian, Wang, Fei, Jiang, Qingcai, Zhao, Xuncheng, Lin, Rongfen, An, Hong, Liang, Xiao, He, Lixin
• Format: Article
• Language: English
• Subjects: Artificial neural networks; Convolutional neural networks; Deep learning; Heisenberg theory; Lattices; Monte Carlo methods; new generation sunway supercomputer; Numerical methods; Quantum system; Quantum theory; Simulation; spin-1/2 J1 – J2 Heisenberg model; Stationary state; Statistical models; Supercomputers; Wave functions
• ISSN: 1045-9219; 1558-2183
• DOI: 10.1109/TPDS.2022.3145163

Efficient numerical methods are promising tools for delivering unique insights into the fascinating properties of physics, such as the highly frustrated quantum many-body systems. However, the computational complexity of obtaining the wave functions for accurately describing the quantum states increases exponentially with respect to particle number. Here we present a novel convolutional neural network (CNN) for simulating the two-dimensional highly frustrated spin-1/2 1 / 2 J_1-J_2 J 1 - J 2 Heisenberg model, meanwhile the simulation is performed at an extreme scale system with low cost and high scalability. By ingenious employment of transfer learning and CNN's translational invariance, we successfully investigate the quantum system with the lattice size up to 24\times 24 24 × 24 , within 30 million cores of the new generation of sunway supercomputer. The final achievement demonstrates the effectiveness of CNN-based representation of quantum-state and brings the state-of-the-art record up to a brand-new level from both aspects of remarkable accuracy and unprecedented scales.