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Bibliographic Details
Main Authors: Ullah, Arif, Huang, Yu, Yang, Ming, Dral, Pavlo O.
Format: Preprint
Published: 2024
Subjects:
Online Access:https://arxiv.org/abs/2404.14021
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Table of Contents:
  • Neural networks (NNs) accelerate simulations of quantum dissipative dynamics. Ensuring that these simulations adhere to fundamental physical laws is crucial, but has been largely ignored in the state-of-the-art NN approaches. We show that this may lead to implausible results measured by violation of the trace conservation. To recover the correct physical behavior, we develop physics-informed NNs (PINNs) that mitigate the violations to a good extend. Beyond that, we propose a novel uncertainty-aware approach that enforces perfect trace conservation by design, surpassing PINNs.