Towards Foundation Models for the Industrial Forecasting of Chemical Kinetics

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Hauptverfasser: Nasim, Imran, Almeida, Joaõ Lucas de Sousa
Format: Preprint
Veröffentlicht: 2024
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author Nasim, Imran
Almeida, Joaõ Lucas de Sousa
author_facet Nasim, Imran
Almeida, Joaõ Lucas de Sousa
contents Scientific Machine Learning is transforming traditional engineering industries by enhancing the efficiency of existing technologies and accelerating innovation, particularly in modeling chemical reactions. Despite recent advancements, the issue of solving stiff chemically reacting problems within computational fluid dynamics remains a significant issue. In this study we propose a novel approach utilizing a multi-layer-perceptron mixer architecture (MLP-Mixer) to model the time-series of stiff chemical kinetics. We evaluate this method using the ROBER system, a benchmark model in chemical kinetics, to compare its performance with traditional numerical techniques. This study provides insight into the industrial utility of the recently developed MLP-Mixer architecture to model chemical kinetics and provides motivation for such neural architecture to be used as a base for time-series foundation models.
format Preprint
id arxiv_https___arxiv_org_abs_2408_10720
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Towards Foundation Models for the Industrial Forecasting of Chemical Kinetics
Nasim, Imran
Almeida, Joaõ Lucas de Sousa
Machine Learning
Artificial Intelligence
Scientific Machine Learning is transforming traditional engineering industries by enhancing the efficiency of existing technologies and accelerating innovation, particularly in modeling chemical reactions. Despite recent advancements, the issue of solving stiff chemically reacting problems within computational fluid dynamics remains a significant issue. In this study we propose a novel approach utilizing a multi-layer-perceptron mixer architecture (MLP-Mixer) to model the time-series of stiff chemical kinetics. We evaluate this method using the ROBER system, a benchmark model in chemical kinetics, to compare its performance with traditional numerical techniques. This study provides insight into the industrial utility of the recently developed MLP-Mixer architecture to model chemical kinetics and provides motivation for such neural architecture to be used as a base for time-series foundation models.
title Towards Foundation Models for the Industrial Forecasting of Chemical Kinetics
topic Machine Learning
Artificial Intelligence
url https://arxiv.org/abs/2408.10720