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Towards Foundation Model for Chemical Reactor Modeling: Meta-Learning with Physics-Informed Adaptation

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arxiv 2405.11752 v3 pith:L7WJOKZD submitted 2024-05-20 cs.CE cs.LG

classification cs.CEcs.LG
keywords reactoradaptationchemicalfoundationmodelsphysics-informedreactorsframework
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Developing accurate models for chemical reactors is often challenging due to the complexity of reaction kinetics and process dynamics. Traditional approaches require retraining models for each new system, limiting generalizability and efficiency. In this work, we take a step toward foundation models for chemical reactor modeling by introducing a neural network framework that generalizes across diverse reactor types and rapidly adapts to new chemical processes. Our approach leverages meta-learning to pretrain the model on a broad set of reactor dynamics, enabling efficient adaptation to unseen reactions with minimal data. To further enhance generalizability, we incorporate physics-informed fine-tuning, ensuring physically consistent adaptation to new reactor conditions. Our framework is evaluated across three integer-order fundamental reactor types - continuous stirred tank reactors, batch reactors, and plug flow reactors - demonstrating superior few-shot adaptation compared to conventional data-driven, physics-informed, and transfer learning approaches. By combining meta-learning with physics-informed adaptation, this work lays the foundation for a generalizable modeling framework, advancing the development of foundation models for chemical engineering applications. Source code is available at https://github.com/killingbear999/chemical-reactor-foundation-model.

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  1. Physics-informed Temporal Alignment for Auto-regressive PDE Foundation Models

    cs.LG 2025-05 conditional novelty 6.0 of 10

    A self-supervised framework that discovers governing equations from short observed data windows and uses them to regularize autoregressive PDE foundation models, improving long-term forecast accuracy.

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