Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:2607.12567

Forked Physics-Informed Neural Networks for Non-Markovian Open Quantum Dynamics and Control

Zhao-Wei Wang, Kai-Yu Yuan, Feng-Hua Ren, Zhao-Ming Wang

quant-phSubmitted Jul 14, 2026• Announced Jul 15, 2026• 0 citations
arXivHTMLPDF

Abstract

Physics-informed neural networks (PINNs) provide a pathway to reunify the simulation and control of quantum systems, in which these two tasks are typically decoupled in traditional strategies. However, most work remains confined to Markovian environments. When applied to non-Markovian systems, standard PINN architectures fail to converge reliably due to multi-objective optimization conflicts arising from the coupled differential equations. To address this fundamental limitation, we extend our previously proposed forked PINN (FPINN) by incorporating a dedicated control branch. By decoupling the optimization objectives at the gradient level via selective gradient flow, our method turns a previously intractable multi-task optimization into a well-conditioned one, allowing simulation and control to be optimized jointly without compromise. Numerical simulations on a two-qubit Heisenberg XXX model confirm that our framework faithfully reproduces the features of non-Markovian dynamics, including decoherence and information backflow. Taking a state-preparation task on the same model as an example, our FPINN achieves higher fidelity than gradient ascent pulse engineering, chopped random basis, and standard PINNs, with the advantage becoming more pronounced as the environment becomes more dissipative and more Markovian. The generated pulses are also noticeably smoother, which is advantageous for experimental implementation. Our framework thus provides a unified, end-to-end differentiable paradigm for simulation and control of open quantum systems, with potential implications for quantum computing, simulation, and control.

Related papers

Forked Physics Informed Neural Networks for Coupled Systems of Differential equations

Zhao-Wei Wang, Zhao-Ming Wang

Solving coupled systems of differential equations (DEs) is a central problem across scientific computing. While Physics Informed Neural Networks (PINNs) offer a promising, mesh-free approach, their standard architectures struggle with the multi-objective optimization conflicts and local optima traps inherent in coupled problems. To address the first issue, we propose a Forked PINN (FPINN) framework designed for coupled systems of DEs. FPINN employs a shared base network with independent branches, isolating gradient pathways to stabilize training. We demonstrate the effectiveness of FPINN in simulating non-Markovian open quantum dynamics governed by coupled DEs, where multi-objective conflicts and local optima traps often cause evolutionary stagnation. To overcome this second challenge, we incorporate an evolution regularization loss that guides the model away from trivial solutions and ensures physically meaningful evolution. We demonstrate the effectiveness of FPINN in simulating non-Markovian open quantum dynamics governed by coupled DEs, where multi-objective conflicts and local optima traps often cause evolutionary stagnation. For the spin-boson and XXZ models, FPINN accurately captures hallmark non-Markovian features, such as quantum coherence revival and information backflow, significantly outperforming standard PINNs. The proposed FPINN architecture offers a general and effective framework for solving coupled systems of equations, which arise across a broad spectrum from classical physics to modern artificial intelligence, including applications in multi-body rotational dynamics, multi-asset portfolio optimization, chemical reaction kinetics, and deep representation learning.

quant-pharXiv:2602.14554•Feb 17, 2026

Learning and inverting driven open quantum systems via physics-informed neural networks

Sutirtha Biswas, Emmanuel Paspalakis

Abstract We demonstrate that system-agnostic physics-informed neural networks (PINNs) can efficiently learn the dynamical solution of quantum master equations, as compared to problem-specific numerical solvers, with respect to accuracy, stability of training convergence, robustness towards bath parameters or initial conditions, and equivalent convergence times for the non-Markovian evolution of two-level quantum systems. We study cases of quantum dot systems driven by external electromagnetic fields and coupled to an acoustic phonon environment, and analyze two problem setups, the evolution of Bloch vectorized coupled differential equations obtained from a Lindblad master equation and the evolution of a non-Markovian master equation obtained from the Nakajima–Zwanzig formulation. We implement a fully connected PINN architecture to solve the two problems. We also use the same methodology to solve the inverse problem of estimation of bath parameters in a supervised fashion, but with a very limited number of noisy samples.

Machine Learning Science and Technology•Feb 27, 2026•0 citations

Simulating non-Markovian open quantum dynamics by exploiting physics-informed neural network

Long Cao, Liwei Ge, Daochi Zhang +4 more

This work integrates the physics-informed neural network (PINN) approach into the neural quantum state framework to simulate open quantum system dynamics, to circumvent the computationally expensive time-dependent variational principle required in conventional variational methods. The proposed PINN-DQME method employs time-encoded neural networks within a time-domain decomposition strategy to represent the evolution governed by the dissipaton-embedded quantum master equation (DQME). We implement and validate this approach in the single-impurity Anderson model, benchmarking the PINN-DQME results against the numerically exact hierarchical equations of motion. The PINN-DQME method demonstrates high accuracy in simulating quantum dissipative dynamics at high temperatures, where non-Markovian effects are weak. However, for strongly non-Markovian dynamics at low temperatures, it encounters challenges with error accumulation during time propagation, highlighting an area for future refinement in applying PINNs to complex quantum dynamical settings.

quant-pharXiv:2603.08081•Mar 10, 2026•0 citations

Simulating non-Markovian open quantum dynamics by exploiting physics-informed neural network

Long Cao, Liwei Ge, D Y Zhang +4 more

This work integrates the physics-informed neural network (PINN) approach into the neural quantum state framework to simulate open quantum system dynamics and to circumvent the computationally expensive time-dependent variational principle required in conventional variational methods. The proposed PINN-DQME method employs time-encoded neural networks within a time-domain decomposition strategy to represent the evolution governed by the dissipaton-embedded quantum master equation (DQME). We implement and validate this approach in the single-impurity Anderson model, benchmarking the PINN-DQME results against the numerically exact hierarchical equations of motion. The PINN-DQME method demonstrates high accuracy in simulating quantum dissipative dynamics at high temperatures, where non-Markovian effects are weak. However, for strongly non-Markovian dynamics at low temperatures, it encounters challenges with error accumulation during time propagation, highlighting an area for future refinement in applying PINNs to complex quantum dynamical settings.

The Journal of Chemical Physics•May 15, 2026•1 citation

Performance of Krotov, PRONTO and PINN for optimal control of quantum gates

Martín D. Jiménez, Murilo D. Forlevesi, Emanuel F. de Lima +1 more

Achieving scalable quantum computing demands high-fidelity operations capable of mitigating population leakage into non-computational states. Physics-Informed Neural Networks (PINNs) have recently emerged as a powerful paradigm to unify quantum hardware characterization (inverse problems) and pulse engineering (direct problems), laying the foundational architecture for autonomous quantum processors. However, standard PINN frameworks face severe numerical bottlenecks, such as spectral bias, when attempting to simultaneously solve highly oscillatory multi-level dynamics and optimize continuous control fields under strict global phase constraints. In this work, we propose an enhanced PINN scheme for quantum optimal control (PINNQOC) that circumvents these limitations by incorporating Fourier feature embeddings, dynamic epoch normalization, and an informed pre-training routine. To rigorously evaluate its performance, we systematically benchmark our framework against two premier continuous control solvers: the first-order Krotov method and the second-order Projection Operator Newton Method for Trajectory Optimization (PRONTO). These techniques are applied to implement multiple quantum gates on a truncated three-level fluxonium qubit and a four-level Nitrogen-Vacancy center coupled to a Carbon-13 nuclear spin. Our advanced PINNQOC approach successfully suppresses population leakage while achieving gate fidelities exceeding 99.9$\%$, matching the efficacy of traditional solvers. Finally, we provide a comprehensive analysis of computational times, iteration efficiency, and mean leakage, highlighting the distinct trade-offs and avenues for embedding physics-guided machine learning into automated quantum hardware pipelines.

quant-pharXiv:2607.23276•Jul 28, 2026•0 citations

Non-Hermitian shortcuts to adiabaticity based on physics-informed neural networks

Hong Li, Ming Liu, Feng Yang +4 more

Physics-informed neural networks (PINNs) represent a methodology that integrates physical equations into neural networks. By incorporating the residuals of physical equations as part of the loss function, PINNs enable the network to learn data features while simultaneously satisfying the constraints imposed by physical laws. The underlying principle of PINNs involves using optimization algorithms to iteratively update the network parameters until the value of a specified physics-informed loss function decreases to an acceptable level, thereby driving the network towards the solution of the differential equations. This approach is not merely a tool but serves as a bridge integrating scientific computing with artificial intelligence, offering novel paradigms for modeling and predicting complex systems. In this paper, we propose a non-Hermitian shortcut to adiabaticity (STA) scheme based on physics-informed neural networks. We utilize the physics-informed neural networks to solve parameterized differential equations, employing the neural networks as an approximating function for the quantum adiabatic evolution process. This provides an interpretable and end-to-end framework (termed STAPINNs) for control-field optimization, distinct from traditional gradient-based approaches like gradient ascent pulse engineering (GRAPE), which require pre-defined pulse parameterization. The parameterized differential equations, along with various physical constraints, are incorporated into the network's loss function. Training the networks allows them to fit the quantum system's evolution process and obtain the driving control function for population inversion. Compared to conventional STA techniques, our approach introduces machine learning into non-Hermitian quantum systems, enabling highly robust and high-fidelity population transfer. Numerical simulations demonstrate that the proposed method significantly outperforms traditional STA protocols under dissipative conditions, achieving fidelities above 0.99 even in the presence of substantial decoherence. Moreover, the framework demonstrates strong generalization across wide parameter ranges and is inherently scalable to multi-level and many-body systems due to the mesh-free, high-dimensional handling capability of PINNs. Neural networks possess strong computational capabilities suitable for generating driving control functions in complex systems, and are equally applicable to non-Hermitian STA techniques. The STAPINNs framework not only enhances control flexibility but also provides a powerful tool for optimizing quantum operations in open and noisy systems.

Optics Express•Feb 26, 2026•0 citations
Physics-informed neural networks (PINNs) provide a pathway to reunify the simulation and control of quantum systems, in which these two tasks are typically decoupled in traditional strategies. However, most work remains confined to Markovian environments. When applied to non-Markovian systems, standard PINN architectures fail to converge reliably due to multi-objective optimization conflicts arising from the coupled differential equations. To address this fundamental limitation, we extend our previously proposed forked PINN (FPINN) by incorporating a dedicated control branch. By decoupling the optimization objectives at the gradient level via selective gradient flow, our method turns a previously intractable multi-task optimization into a well-conditioned one, allowing simulation and control to be optimized jointly without compromise. Numerical simulations on a two-qubit Heisenberg XXX model confirm that our framework faithfully reproduces the features of non-Markovian dynamics, including decoherence and information backflow. Taking a state-preparation task on the same model as an example, our FPINN achieves higher fidelity than gradient ascent pulse engineering, chopped random basis, and standard PINNs, with the advantage becoming more pronounced as the environment becomes more dissipative and more Markovian. The generated pulses are also noticeably smoother, which is advantageous for experimental implementation. Our framework thus provides a unified, end-to-end differentiable paradigm for simulation and control of open quantum systems, with potential implications for quantum computing, simulation, and control.
Solving coupled systems of differential equations (DEs) is a central problem across scientific computing. While Physics Informed Neural Networks (PINNs) offer a promising, mesh-free approach, their standard architectures struggle with the multi-objective optimization conflicts and local optima traps inherent in coupled problems. To address the first issue, we propose a Forked PINN (FPINN) framework designed for coupled systems of DEs. FPINN employs a shared base network with independent branches, isolating gradient pathways to stabilize training. We demonstrate the effectiveness of FPINN in simulating non-Markovian open quantum dynamics governed by coupled DEs, where multi-objective conflicts and local optima traps often cause evolutionary stagnation. To overcome this second challenge, we incorporate an evolution regularization loss that guides the model away from trivial solutions and ensures physically meaningful evolution. We demonstrate the effectiveness of FPINN in simulating non-Markovian open quantum dynamics governed by coupled DEs, where multi-objective conflicts and local optima traps often cause evolutionary stagnation. For the spin-boson and XXZ models, FPINN accurately captures hallmark non-Markovian features, such as quantum coherence revival and information backflow, significantly outperforming standard PINNs. The proposed FPINN architecture offers a general and effective framework for solving coupled systems of equations, which arise across a broad spectrum from classical physics to modern artificial intelligence, including applications in multi-body rotational dynamics, multi-asset portfolio optimization, chemical reaction kinetics, and deep representation learning.
Abstract We demonstrate that system-agnostic physics-informed neural networks (PINNs) can efficiently learn the dynamical solution of quantum master equations, as compared to problem-specific numerical solvers, with respect to accuracy, stability of training convergence, robustness towards bath parameters or initial conditions, and equivalent convergence times for the non-Markovian evolution of two-level quantum systems. We study cases of quantum dot systems driven by external electromagnetic fields and coupled to an acoustic phonon environment, and analyze two problem setups, the evolution of Bloch vectorized coupled differential equations obtained from a Lindblad master equation and the evolution of a non-Markovian master equation obtained from the Nakajima–Zwanzig formulation. We implement a fully connected PINN architecture to solve the two problems. We also use the same methodology to solve the inverse problem of estimation of bath parameters in a supervised fashion, but with a very limited number of noisy samples.
This work integrates the physics-informed neural network (PINN) approach into the neural quantum state framework to simulate open quantum system dynamics, to circumvent the computationally expensive time-dependent variational principle required in conventional variational methods. The proposed PINN-DQME method employs time-encoded neural networks within a time-domain decomposition strategy to represent the evolution governed by the dissipaton-embedded quantum master equation (DQME). We implement and validate this approach in the single-impurity Anderson model, benchmarking the PINN-DQME results against the numerically exact hierarchical equations of motion. The PINN-DQME method demonstrates high accuracy in simulating quantum dissipative dynamics at high temperatures, where non-Markovian effects are weak. However, for strongly non-Markovian dynamics at low temperatures, it encounters challenges with error accumulation during time propagation, highlighting an area for future refinement in applying PINNs to complex quantum dynamical settings.
This work integrates the physics-informed neural network (PINN) approach into the neural quantum state framework to simulate open quantum system dynamics and to circumvent the computationally expensive time-dependent variational principle required in conventional variational methods. The proposed PINN-DQME method employs time-encoded neural networks within a time-domain decomposition strategy to represent the evolution governed by the dissipaton-embedded quantum master equation (DQME). We implement and validate this approach in the single-impurity Anderson model, benchmarking the PINN-DQME results against the numerically exact hierarchical equations of motion. The PINN-DQME method demonstrates high accuracy in simulating quantum dissipative dynamics at high temperatures, where non-Markovian effects are weak. However, for strongly non-Markovian dynamics at low temperatures, it encounters challenges with error accumulation during time propagation, highlighting an area for future refinement in applying PINNs to complex quantum dynamical settings.
Achieving scalable quantum computing demands high-fidelity operations capable of mitigating population leakage into non-computational states. Physics-Informed Neural Networks (PINNs) have recently emerged as a powerful paradigm to unify quantum hardware characterization (inverse problems) and pulse engineering (direct problems), laying the foundational architecture for autonomous quantum processors. However, standard PINN frameworks face severe numerical bottlenecks, such as spectral bias, when attempting to simultaneously solve highly oscillatory multi-level dynamics and optimize continuous control fields under strict global phase constraints. In this work, we propose an enhanced PINN scheme for quantum optimal control (PINNQOC) that circumvents these limitations by incorporating Fourier feature embeddings, dynamic epoch normalization, and an informed pre-training routine. To rigorously evaluate its performance, we systematically benchmark our framework against two premier continuous control solvers: the first-order Krotov method and the second-order Projection Operator Newton Method for Trajectory Optimization (PRONTO). These techniques are applied to implement multiple quantum gates on a truncated three-level fluxonium qubit and a four-level Nitrogen-Vacancy center coupled to a Carbon-13 nuclear spin. Our advanced PINNQOC approach successfully suppresses population leakage while achieving gate fidelities exceeding 99.9%\%%, matching the efficacy of traditional solvers. Finally, we provide a comprehensive analysis of computational times, iteration efficiency, and mean leakage, highlighting the distinct trade-offs and avenues for embedding physics-guided machine learning into automated quantum hardware pipelines.
Physics-informed neural networks (PINNs) represent a methodology that integrates physical equations into neural networks. By incorporating the residuals of physical equations as part of the loss function, PINNs enable the network to learn data features while simultaneously satisfying the constraints imposed by physical laws. The underlying principle of PINNs involves using optimization algorithms to iteratively update the network parameters until the value of a specified physics-informed loss function decreases to an acceptable level, thereby driving the network towards the solution of the differential equations. This approach is not merely a tool but serves as a bridge integrating scientific computing with artificial intelligence, offering novel paradigms for modeling and predicting complex systems. In this paper, we propose a non-Hermitian shortcut to adiabaticity (STA) scheme based on physics-informed neural networks. We utilize the physics-informed neural networks to solve parameterized differential equations, employing the neural networks as an approximating function for the quantum adiabatic evolution process. This provides an interpretable and end-to-end framework (termed STAPINNs) for control-field optimization, distinct from traditional gradient-based approaches like gradient ascent pulse engineering (GRAPE), which require pre-defined pulse parameterization. The parameterized differential equations, along with various physical constraints, are incorporated into the network's loss function. Training the networks allows them to fit the quantum system's evolution process and obtain the driving control function for population inversion. Compared to conventional STA techniques, our approach introduces machine learning into non-Hermitian quantum systems, enabling highly robust and high-fidelity population transfer. Numerical simulations demonstrate that the proposed method significantly outperforms traditional STA protocols under dissipative conditions, achieving fidelities above 0.99 even in the presence of substantial decoherence. Moreover, the framework demonstrates strong generalization across wide parameter ranges and is inherently scalable to multi-level and many-body systems due to the mesh-free, high-dimensional handling capability of PINNs. Neural networks possess strong computational capabilities suitable for generating driving control functions in complex systems, and are equally applicable to non-Hermitian STA techniques. The STAPINNs framework not only enhances control flexibility but also provides a powerful tool for optimizing quantum operations in open and noisy systems.