Recurrent neural networks (RNNs) have recently been extensively applied to model the time evolution in fluid dynamics, weather predictions, and even chaotic systems due to their ability to capture temporal dependencies and sequential patterns in data. Here we present an RNN model based on convolutional neural networks for modeling the nonlinear nonadiabatic dynamics of hybrid quantum-classical systems. The dynamical evolution of the hybrid systems is governed by equations of motion for classical degrees of freedom and von Neumann equation for electrons. The Physics-Aware Recurrent Convolution (PARC) neural network structure incorporates a differentiator-integrator architecture that inductively models the spatiotemporal dynamics of generic physical systems. We apply our RNN approach to learn the space-time evolution of a one-dimensional semiclassical Holstein model after an interaction quench. For shallow quenches (small changes in electron-lattice coupling), the deterministic dynamics can be accurately captured using a single-CNN-based recurrent network. In contrast, deep quenches induce chaotic evolution, making long-term trajectory prediction significantly more challenging. Nonetheless, we demonstrate that the PARC-CNN architecture can effectively learn the statistical climate of the Holstein model under deep-quench conditions.
Recurrent neural networks (RNNs) have recently been extensively applied to model the time evolution in fluid dynamics, weather predictions, and even chaotic systems due to their ability to capture temporal dependencies and sequential patterns in data. Here we present an RNN model based on convolutional neural networks for modeling the nonlinear nonadiabatic dynamics of hybrid quantum-classical systems. The dynamical evolution of the hybrid systems is governed by equations of motion for classical degrees of freedom and von Neumann equation for electrons. The Physics-Aware Recurrent Convolution (PARC) neural network structure incorporates a differentiator-integrator architecture that inductively models the spatiotemporal dynamics of generic physical systems. We apply our RNN approach to learn the space-time evolution of a one-dimensional semiclassical Holstein model after an interaction quench. For shallow quenches (small changes in electron-lattice coupling), the deterministic dynamics can be accurately captured using a single-CNN-based recurrent network. In contrast, deep quenches induce chaotic evolution, making long-term trajectory prediction significantly more challenging. Nonetheless, we demonstrate that the PARC-CNN architecture can effectively learn the statistical climate of the Holstein model under deep-quench conditions.
Abstract Modeling temporal dependencies within quantum systems remains a key challenge for quantum machine learning. Current quantum neural networks largely depend on classical recurrent modules, which introduce optimization bottlenecks and coherence loss during sequence processing. To address this, we propose a fully quantum-native recurrent neural network (QRNN) for end-to-end sequential learning. Our architecture captures temporal dynamics through coherent unitary operations, avoiding external classical recurrence and mid-circuit state collapse. The proposed model was benchmarked against a classical recurrent neural network (RNN), quantum tensor networks, and state-of-the-art hybrid QRNN using the Origin Quantum superconducting platform. Experimental evaluations on nonlinear functions, complex dynamical systems, and meteorological datasets demonstrate that our quantum-native QRNN achieves improved prediction accuracy and exhibits enhanced capability in forecasting complex temporal features. For instance, on the relative humidity forecasting task, the proposed QRNN achieves a 73.5% reduction in Root mean square error compared to the hybrid VQRNN. This work establishes a robust framework for preserving coherence in pure quantum sequential processing, offering a scalable path for time-series forecasting on near-term quantum hardware.
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.
Simulating non-Markovian quantum dissipative dynamics remains a major challenge in theoretical and computational chemistry. While traditional numerical methods such as hierarchical equations of motion are numerically exact, they suffer from prohibitive computational costs when modeling systems with complex environmental couplings or strong non-Markovian effects. To address this limitation, we propose a deep learning framework based on two-dimensional convolutional neural networks (2D-CNN) for efficiently predicting long-time quantum dissipative dynamics using only short-time trajectory data. Our approach incorporates a 1D-to-2D feature reconstruction strategy, which transforms 1D time-series data into 2D images, and a multi-timescale fusion network to resolve complex dynamical features. We validate the framework on two paradigmatic cases — dissipative relaxation in a two-level system and Rabi oscillations in a dissipative spin system — achieving prediction mean absolute errors of 10−3 and 10−2, respectively. The results highlight the effectiveness of our 2D-CNN approach in capturing long-time temporal correlations, providing a computationally efficient pathway for simulating quantum dynamics in realistic open systems.
Deep learning has achieved significant success in pattern recognition, with convolutional neural networks (CNNs) serving as a foundational architecture for extracting spatial features from images. Quantum computing provides an alternative computational framework, a hybrid quantum-classical convolutional neural networks (QCCNNs) leverage high-dimensional Hilbert spaces and entanglement to surpass classical CNNs in image classification accuracy under comparable architectures. Despite performance improvements, QCCNNs typically use fixed quantum layers without incorporating trainable quantum parameters. This limits their ability to capture non-linear quantum representations and separates the model from the potential advantages of expressive quantum learning. In this work, we present a hybrid quantum-classical-quantum convolutional neural network (QCQ-CNN) that incorporates a quantum convolutional filter, a shallow classical CNN, and a trainable variational quantum classifier. This architecture aims to enhance the expressivity of decision boundaries in image classification tasks by introducing tunable quantum parameters into the end-to-end learning process. Through a series of small-sample experiments on MNIST, F-MNIST, and MRI tumor datasets, QCQ-CNN demonstrates competitive accuracy and convergence behavior compared to classical and hybrid baselines. We further analyze the effect of ansatz depth and find that moderate-depth quantum circuits can improve learning stability without introducing excessive complexity. Additionally, simulations incorporating depolarizing noise and finite sampling shots suggest that QCQ-CNN maintains a certain degree of robustness under realistic quantum noise conditions. While our results are currently limited to simulations with small-scale quantum circuits, the proposed approach offers a potentially promising direction for hybrid quantum learning in near-term applications.
Nonadiabatic dynamics is key for understanding solar energy conversion and photochemical processes in condensed phases. This often involves the non-Markovian dynamics of the reduced density matrix in open quantum systems, where knowledge of the system's prior states is necessary to predict its future behavior. In this study, we explore time-series machine learning methods for predicting long-time nonadiabatic dynamics based on short-time input data, comparing these methods with the physics-based transfer tensor method (TTM). To understand the impact of memory time on these approaches, we demonstrate that non-Markovian dynamics can be represented as a linear map within the Nakajima-Zwanzig generalized quantum master equation framework. We further propose a practical method to estimate the effective memory time, within a given tolerance, for reduced density matrix propagation. Our predictive models are applied to various physical systems, including spin-boson models, multistate harmonic (MSH) models with Ohmic spectral densities and for a realistic organic photovoltaic system composed of a carotenoid-porphyrin-fullerene triad dissolved in tetrahydrofuran. Results indicate that the simple linear-mapping fully connected neural network (FCN) outperforms the more complicated nonlinear-mapping networks including the gated recurrent unit (GRU) and the convolutional neural network/long short-term memory (CNN-LSTM) in systems with short memory times, such as spin-boson and MSH models. Conversely, the nonlinear CNN-LSTM and GRU models yield higher accuracy in the triad MSH systems characterized by long memory times. These findings offer valuable insights into the role of effective memory time in non-Markovian quantum dynamics, providing practical guidance for the application of time-series machine learning models to complex chemical systems.
Nonlinear time-dependent partial differential equations are essential in modeling complex phenomena across diverse fields, yet they pose significant challenges due to their computational complexity, especially in higher dimensions. This study explores Quantum Recurrent Neural Networks within an encoder-decoder framework, integrating Variational Quantum Circuits into Gated Recurrent Units and Long Short-Term Memory networks. Using this architecture, the model efficiently compresses high-dimensional spatiotemporal data into a compact latent space, facilitating more efficient temporal evolution. We evaluate the algorithms on the Hamilton-Jacobi-Bellman equation, Burgers' equation, the Gray-Scott reaction-diffusion system, and the three dimensional Michaelis-Menten reaction-diffusion equation. The results demonstrate the superior performance of the quantum-based algorithms in capturing nonlinear dynamics, handling high-dimensional spaces, and providing stable solutions, highlighting their potential as an innovative tool in solving challenging and complex systems.