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Automated synthesis of steady-state continuous processes using reinforcement learning


Automated flowsheet synthesis is an important field in computer-aided process engineering. The present work demonstrates how reinforcement learning can be used for automated flowsheet synthesis without any heuristics or prior knowledge of conceptual design. The environment consists of a steady-state flowsheet simulator that contains all physical knowledge. An agent is trained to take discrete actions and sequentially build up flowsheets that solve a given process problem. A novel method named SynGameZero is developed to ensure good exploration schemes in the complex problem. Therein, flowsheet synthesis is modelled as a game of two competing players. The agent plays this game against itself during training and consists of an artificial neural network and a tree search for forward planning. The method is applied successfully to a reaction-distillation process in a quaternary system.


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Correspondence to Quirin Göttl.

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Open Access funding enabled and organized by Projekt DEAL.

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Göttl, Q., Grimm, D.G. & Burger, J. Automated synthesis of steady-state continuous processes using reinforcement learning. Front. Chem. Sci. Eng. (2021).

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  • automated process synthesis
  • flowsheet synthesis
  • artificial intelligence
  • machine learning
  • reinforcement learning