Q-Flow: Generative Modeling for Differential Equations of Open Quantum Dynamics with Normalizing Flows

Owen M Dugan, Peter Y. Lu, Rumen Dangovski, Di Luo, Marin Soljacic
Proceedings of the 40th International Conference on Machine Learning, PMLR 202:8879-8901, 2023.

Abstract

Studying the dynamics of open quantum systems can enable breakthroughs both in fundamental physics and applications to quantum engineering and quantum computation. Since the density matrix $\rho$, which is the fundamental description for the dynamics of such systems, is high-dimensional, customized deep generative neural networks have been instrumental in modeling $\rho$. However, the complex-valued nature and normalization constraints of $\rho$, as well as its complicated dynamics, prohibit a seamless connection between open quantum systems and the recent advances in deep generative modeling. Here we lift that limitation by utilizing a reformulation of open quantum system dynamics to a partial differential equation (PDE) for a corresponding probability distribution $Q$, the Husimi Q function. Thus, we model the Q function seamlessly with off-the-shelf deep generative models such as normalizing flows. Additionally, we develop novel methods for learning normalizing flow evolution governed by high-dimensional PDEs based on the Euler method and the application of the time-dependent variational principle. We name the resulting approach Q-Flow and demonstrate the scalability and efficiency of Q-Flow on open quantum system simulations, including the dissipative harmonic oscillator and the dissipative bosonic model. Q-Flow is superior to conventional PDE solvers and state-of-the-art physics-informed neural network solvers, especially in high-dimensional systems.

Cite this Paper


BibTeX
@InProceedings{pmlr-v202-dugan23a, title = {Q-Flow: Generative Modeling for Differential Equations of Open Quantum Dynamics with Normalizing Flows}, author = {Dugan, Owen M and Lu, Peter Y. and Dangovski, Rumen and Luo, Di and Soljacic, Marin}, booktitle = {Proceedings of the 40th International Conference on Machine Learning}, pages = {8879--8901}, year = {2023}, editor = {Krause, Andreas and Brunskill, Emma and Cho, Kyunghyun and Engelhardt, Barbara and Sabato, Sivan and Scarlett, Jonathan}, volume = {202}, series = {Proceedings of Machine Learning Research}, month = {23--29 Jul}, publisher = {PMLR}, pdf = {https://proceedings.mlr.press/v202/dugan23a/dugan23a.pdf}, url = {https://proceedings.mlr.press/v202/dugan23a.html}, abstract = {Studying the dynamics of open quantum systems can enable breakthroughs both in fundamental physics and applications to quantum engineering and quantum computation. Since the density matrix $\rho$, which is the fundamental description for the dynamics of such systems, is high-dimensional, customized deep generative neural networks have been instrumental in modeling $\rho$. However, the complex-valued nature and normalization constraints of $\rho$, as well as its complicated dynamics, prohibit a seamless connection between open quantum systems and the recent advances in deep generative modeling. Here we lift that limitation by utilizing a reformulation of open quantum system dynamics to a partial differential equation (PDE) for a corresponding probability distribution $Q$, the Husimi Q function. Thus, we model the Q function seamlessly with off-the-shelf deep generative models such as normalizing flows. Additionally, we develop novel methods for learning normalizing flow evolution governed by high-dimensional PDEs based on the Euler method and the application of the time-dependent variational principle. We name the resulting approach Q-Flow and demonstrate the scalability and efficiency of Q-Flow on open quantum system simulations, including the dissipative harmonic oscillator and the dissipative bosonic model. Q-Flow is superior to conventional PDE solvers and state-of-the-art physics-informed neural network solvers, especially in high-dimensional systems.} }
Endnote
%0 Conference Paper %T Q-Flow: Generative Modeling for Differential Equations of Open Quantum Dynamics with Normalizing Flows %A Owen M Dugan %A Peter Y. Lu %A Rumen Dangovski %A Di Luo %A Marin Soljacic %B Proceedings of the 40th International Conference on Machine Learning %C Proceedings of Machine Learning Research %D 2023 %E Andreas Krause %E Emma Brunskill %E Kyunghyun Cho %E Barbara Engelhardt %E Sivan Sabato %E Jonathan Scarlett %F pmlr-v202-dugan23a %I PMLR %P 8879--8901 %U https://proceedings.mlr.press/v202/dugan23a.html %V 202 %X Studying the dynamics of open quantum systems can enable breakthroughs both in fundamental physics and applications to quantum engineering and quantum computation. Since the density matrix $\rho$, which is the fundamental description for the dynamics of such systems, is high-dimensional, customized deep generative neural networks have been instrumental in modeling $\rho$. However, the complex-valued nature and normalization constraints of $\rho$, as well as its complicated dynamics, prohibit a seamless connection between open quantum systems and the recent advances in deep generative modeling. Here we lift that limitation by utilizing a reformulation of open quantum system dynamics to a partial differential equation (PDE) for a corresponding probability distribution $Q$, the Husimi Q function. Thus, we model the Q function seamlessly with off-the-shelf deep generative models such as normalizing flows. Additionally, we develop novel methods for learning normalizing flow evolution governed by high-dimensional PDEs based on the Euler method and the application of the time-dependent variational principle. We name the resulting approach Q-Flow and demonstrate the scalability and efficiency of Q-Flow on open quantum system simulations, including the dissipative harmonic oscillator and the dissipative bosonic model. Q-Flow is superior to conventional PDE solvers and state-of-the-art physics-informed neural network solvers, especially in high-dimensional systems.
APA
Dugan, O.M., Lu, P.Y., Dangovski, R., Luo, D. & Soljacic, M.. (2023). Q-Flow: Generative Modeling for Differential Equations of Open Quantum Dynamics with Normalizing Flows. Proceedings of the 40th International Conference on Machine Learning, in Proceedings of Machine Learning Research 202:8879-8901 Available from https://proceedings.mlr.press/v202/dugan23a.html.

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