A comparative study of different machine learning methods for dissipative quantum dynamics. Issue 4 (1st December 2022)

• Record Type: Journal Article
• Authors: Rodríguez, Luis E Herrera; Ullah, Arif; Espinosa, Kennet J Rueda; Dral, Pavlo O; Kananenka, Alexei A
• Is Part Of: Machine learning: science and technology. Volume 3:Issue 4(2022)
• Publication Date: 2022-12-01
• Subjects: machine learning -- open quantum systems -- kernel ridge regression -- spin-boson -- recurrent neural networks -- LSTM -- GRU -- CNN; 006.31
• DOI: 10.1088/2632-2153/ac9a9d
• Languages: English
• ISSNs: 2632-2153

Abstract

Abstract: 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.