A short trajectory is all you need: A transformer-based model for long-time dissipative quantum dynamics

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 sy...

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Veröffentlicht in:The Journal of chemical physics 2024-11, Vol.161 (17)
Hauptverfasser: Herrera Rodríguez, Luis E., Kananenka, Alexei A.
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:0021-9606
1089-7690
1089-7690
DOI:10.1063/5.0232871