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Time Series Prediction of Open Quantum System Dynamics by Transformer Neural Networks

Z. M. Wang, Lianao Wu, Zhao-Ming Wang

Published Jan 23, 2026• 0 citations
Publisher

Abstract

The dynamics of open quantum systems play a crucial role in quantum information science. However, obtaining numerically exact solutions for the Lindblad master equation is often computationally expensive. Recently, machine learning techniques have gained considerable attention for simulating open quantum system dynamics. In this paper, we propose a deep learning model based on time series prediction (TSP) to forecast the dynamical evolution of open quantum systems. We employ the positive operator-valued measure (POVM) approach to convert the density matrix of the system into a probability distribution and construct a TSP model based on Transformer neural networks. This model effectively captures the historical evolution patterns of the system and accurately predicts its future behavior. Our results show that the model achieves high-fidelity predictions of the system's evolution trajectory in both short- and long-term scenarios, and exhibits robust generalization under varying initial states and coupling strengths. Moreover, we successfully predicted the steady-state behavior of the system, further proving the practicality and scalability of the method.

DOI
10.3390/e28020133

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The dynamics of open quantum systems play a crucial role in quantum information science. However, obtaining numerically exact solutions for the Lindblad master equation is often computationally expensive. Recently, machine learning techniques have gained considerable attention for simulating open quantum system dynamics. In this paper, we propose a deep learning model based on time series prediction (TSP) to forecast the dynamical evolution of open quantum systems. We employ the positive operator-valued measure (POVM) approach to convert the density matrix of the system into a probability distribution and construct a TSP model based on Transformer neural networks. This model effectively captures the historical evolution patterns of the system and accurately predicts its future behavior. Our results show that the model achieves high-fidelity predictions of the system's evolution trajectory in both short- and long-term scenarios, and exhibits robust generalization under varying initial states and coupling strengths. Moreover, we successfully predicted the steady-state behavior of the system, further proving the practicality and scalability of the method.
Time series prediction (TSP) has been widely used in various fields, such as life sciences and finance, to forecast future trends based on historical data. However, to date, there has been relatively little research conducted on the TSP for quantum physics. In this paper, we explore the potential application of TSP in forecasting the dynamical evolution of open quantum systems. We employ deep learning techniques to train a TSP model and evaluate its performance by comparison with exact solution. We use the ratio of the prediction step length and the sequence length to define short and long-term forecasting. Our results show that the trained model has the ability to effectively capture the inherent characteristics of time series for both short-term and long-term forecasting. Accurate predictions for different coupling intensities and initial states are obtained. Furthermore, we use our method to train another model and find that it can successfully predict the steady state of the system. These findings suggests that TSP is a valuable tool for the prediction of the dynamics in open quantum systems.
Understanding dissipation in open quantum systems is crucial for the development of robust quantum technologies. In this work, we introduce a transformer-based machine learning framework to infer time-dependent dissipation rates in systems governed by the Lindblad master equation. Our method requires only time series of observable quantities, such as 〈 σ x ( t ) 〉 , 〈 σ y ( t ) 〉 , and 〈 σ z ( t ) 〉 , and does not require prior knowledge of the initial quantum state or the system Hamiltonian during inference. We demonstrate the effectiveness of our approach across a hierarchy of open quantum models, including single-qubit systems with time-independent and time-dependent jump rates, two-qubit interacting systems (e.g., Heisenberg and transverse Ising models), and the Jaynes-Cummings model with cavity loss and time-dependent decay. Our method accurately reconstructs both fixed and time-varying dissipation profiles from observable trajectories. We further show that under reasonable assumptions, the jump rates in these models are uniquely determined by a small set of measurable observables. The results suggest that transformer-based learning provides a scalable and data-driven route for identifying environmental effects in open quantum systems.
Machine learning (ML) architectures such as convolutional neural networks (CNNs) have garnered considerable recent attention in the study of quantum many-body systems. However, advanced ML approaches such as gated recurrent neural networks (RNNs) have seldom been applied to such contexts. Here we demonstrate that a special class of RNNs known as long short-term memory (LSTM) networks is capable of learning and accurately predicting the time evolution of one-dimensional (1D) Ising model with simultaneous transverse and parallel magnetic fields, as quantitatively corroborated by relative entropy measurements and magnetization between the predicted and exact state distributions. In this unsupervised learning task, the many-body state evolution was predicted in an autoregressive way from an initial state, without any guidance or knowledge of any Hamiltonian. Our work paves the way for future applications of advanced ML methods in quantum many-body dynamics without relying on the explicit form of the Hamiltonian.
The Lindblad master equation is the standard framework for describing the non-unitary evolution of open quantum systems, where environmental interactions induce dissipation and decoherence. When both the system Hamiltonian and the dissipation rates are partially unknown or explicitly time-dependent, traditional analytical inversion and system-identification techniques become intractable. Recent works have demonstrated that Transformer-based models can infer unknown dissipation rates from observable time series, yet these approaches typically rely on hand-crafted statistical features under idealized and highly restricted conditions. Here we advance the paradigm by introducing a raw time-series Transformer that directly ingests the full trajectories of Pauli expectation values ⟨σx(t)⟩\langleσ_x(t)\rangle⟨σx​(t)⟩, ⟨σy(t)⟩\langleσ_y(t)\rangle⟨σy​(t)⟩, and ⟨σz(t)⟩\langleσ_z(t)\rangle⟨σz​(t)⟩, thereby fully exploiting the self-attention mechanism for temporal modeling. The architecture is further extended to jointly learn unknown Hamiltonian parameters, handle multiple dissipation channels, and operate robustly under realistic measurement noise. Across all tested scenarios the model achieves consistently high reconstruction accuracy while eliminating manual feature engineering. This provides a scalable, robust, and versatile framework for quantum environment sensing in realistic open quantum systems.
In this Communication, we demonstrate that a deep artificial neural network based on a transformer architecture with self-attention layers can predict the long-time population dynamics of a quantum system coupled to a dissipative environment provided that the short-time population dynamics of the system is known. The transformer neural network model developed in this work predicts the long-time dynamics of spin-boson model efficiently and very accurately across different regimes, from weak system-bath coupling to strong coupling non-Markovian regimes. Our model is more accurate than classical forecasting models, such as recurrent neural networks, and is comparable to the state-of-the-art models for simulating the dynamics of quantum dissipative systems based on kernel ridge regression.
The recurrent neural network with the long short-term memory cell (LSTM-NN) is employed to simulate the long-time dynamics of open quantum systems. The bootstrap method is applied in the LSTM-NN construction and prediction, which provides a Monte Carlo estimation of a forecasting confidence interval. Within this approach, a large number of LSTM-NNs are constructed by resampling time-series sequences that were obtained from the early stage quantum evolution given by numerically exact multilayer multiconfigurational time-dependent Hartree method. The built LSTM-NN ensemble is used for the reliable propagation of the long-time quantum dynamics, and the simulated result is highly consistent with the exact evolution. The forecasting uncertainty that partially reflects the reliability of the LSTM-NN prediction is also given. This demonstrates the bootstrap-based LSTM-NN approach is a practical and powerful tool to propagate the long-time quantum dynamics of open systems with high accuracy and low computational cost.