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Harnessing deep reinforcement learning to construct time-dependent optimal fields for quantum control dynamics

Yuanqi Gao, Xian Wang, Nanpeng Yu, Bryan M. Wong

2022Physical Chemistry Chemical Physics14 citationsDOIOpen Access PDF

Abstract

We present an efficient deep reinforcement learning (DRL) approach to automatically construct time-dependent optimal control fields that enable desired transitions in dynamical chemical systems. Our DRL approach gives impressive performance in constructing optimal control fields, even for cases that are difficult to converge with existing gradient-based approaches. We provide a detailed description of the algorithms and hyperparameters as well as performance metrics for our DRL-based approach. Our results demonstrate that DRL can be employed as an effective artificial intelligence approach to efficiently and autonomously design control fields in quantum dynamical chemical systems.

Topics & Concepts

Reinforcement learningHyperparameterConstruct (python library)Computer scienceArtificial intelligenceQuantumDynamical systems theoryOptimal controlControl (management)Mathematical optimizationMathematicsPhysicsQuantum mechanicsProgramming languageSpectroscopy and Quantum Chemical StudiesAdvanced Fluorescence Microscopy TechniquesReceptor Mechanisms and Signaling
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