T. Karia
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Multi-agent systems for chemical engineering
A review and perspective
Large language model (LLM)-based multi-agent systems (MASs) are a recent but rapidly evolving technology with the potential to transform chemical engineering by decomposing complex workflows into teams of collaborative agents with specialized knowledge and tools. This review surveys the state-of-the-art of MASs within chemical engineering. While early studies demonstrate promising results, scientific challenges remain, including the design of tailored architectures, integration of heterogeneous data modalities, development of foundation models with domain-specific modalities, and strategies for ensuring transparency, safety, and environmental impact. As a young but fast-moving field, MASs offer exciting opportunities to rethink chemical engineering workflows.
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Large language model (LLM)-based multi-agent systems (MASs) are a recent but rapidly evolving technology with the potential to transform chemical engineering by decomposing complex workflows into teams of collaborative agents with specialized knowledge and tools. This review surveys the state-of-the-art of MASs within chemical engineering. While early studies demonstrate promising results, scientific challenges remain, including the design of tailored architectures, integration of heterogeneous data modalities, development of foundation models with domain-specific modalities, and strategies for ensuring transparency, safety, and environmental impact. As a young but fast-moving field, MASs offer exciting opportunities to rethink chemical engineering workflows.
Neural networks are widely used as surrogate models but they do not guarantee physically consistent predictions thereby preventing adoption in various applications. We propose a method that can enforce NNs to satisfy physical laws that are nonlinear in nature such as enthalpy balances. Our approach, inspired by Picard successive approximations method, aims to enforce multiplicatively separable constraints by sequentially freezing and projecting a set of the participating variables. We demonstrate our PicardKKThPINN for surrogate modeling of a catalytic packed bed reactor for methanol synthesis. Our results show that the method efficiently enforces nonlinear enthalpy and linear atomic balances at machine-level precision. Additionally, we show that enforcing conservation laws can improve accuracy in data-scarce conditions compared to vanilla multilayer perceptron.
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Neural networks are widely used as surrogate models but they do not guarantee physically consistent predictions thereby preventing adoption in various applications. We propose a method that can enforce NNs to satisfy physical laws that are nonlinear in nature such as enthalpy balances. Our approach, inspired by Picard successive approximations method, aims to enforce multiplicatively separable constraints by sequentially freezing and projecting a set of the participating variables. We demonstrate our PicardKKThPINN for surrogate modeling of a catalytic packed bed reactor for methanol synthesis. Our results show that the method efficiently enforces nonlinear enthalpy and linear atomic balances at machine-level precision. Additionally, we show that enforcing conservation laws can improve accuracy in data-scarce conditions compared to vanilla multilayer perceptron.