A comparative study of different machine learning methods for dissipative quantum dynamics

被引:19
|
作者
Rodriguez, Luis E. Herrera [1 ,2 ]
Ullah, Arif [3 ,4 ]
Rueda Espinosa, Kennet J. [1 ,2 ]
Dral, Pavlo O. [3 ,4 ]
Kananenka, Alexei A. [1 ]
机构
[1] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA
[2] Univ Nacl Colombia, Dept Fis, Bogota, DC, Colombia
[3] Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Fujian Prov Key Lab Theoret & Computat Chem, Dept Chem, Xiamen 361005, Peoples R China
[4] Xiamen Univ, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China
来源
基金
中国国家自然科学基金;
关键词
machine learning; open quantum systems; kernel ridge regression; spin-boson; recurrent neural networks; LSTM; GRU; CNN; MULTILAYER FEEDFORWARD NETWORKS; NONADIABATIC MOLECULAR-DYNAMICS; EXCITATION-ENERGY TRANSFER; KERNEL RIDGE-REGRESSION; NEURAL-NETWORKS; CONTINUAL PREDICTION; CONDENSED-PHASE; MASTER EQUATION; LSTM; BACKPROPAGATION;
D O I
10.1088/2632-2153/ac9a9d
中图分类号
TP18 [人工智能理论];
学科分类号
081104 ; 0812 ; 0835 ; 1405 ;
摘要
It has been recently shown that supervised machine learning (ML) algorithms can accurately and efficiently predict long-time population dynamics of dissipative quantum systems given only short-time population dynamics. In the present article we benchmarked 22 ML models on their ability to predict long-time dynamics of a two-level quantum system linearly coupled to harmonic bath. The models include uni- and bidirectional recurrent, convolutional, and fully-connected feedforward artificial neural networks (ANNs) and kernel ridge regression (KRR) with linear and most commonly used nonlinear kernels. Our results suggest that KRR with nonlinear kernels can serve as inexpensive yet accurate way to simulate long-time dynamics in cases where the constant length of input trajectories is appropriate. Convolutional gated recurrent unit model is found to be the most efficient ANN model.
引用
收藏
页数:25
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