2022
DOI: 10.1201/9781003143376
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Knowledge-Guided Machine Learning

Abstract: This paper presents an overview of scientific modeling and discusses the complementary strengths and weaknesses of ML methods for scientific modeling in comparison to process-based models. It also provides an introduction to the current state of research in the emerging field of scientific knowledge-guided machine learning (KGML) that aims to use both scientific knowledge and data in ML frameworks to achieve better generalizability, scientific consistency, and explainability of results. We discuss different fa… Show more

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Cited by 31 publications
(17 citation statements)
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“…To highlight how the hybrid MCL model performs in capturing key physical limnological lake characteristics, we ran the hybrid MCL model against the process‐based model, the deep learning with no process, and the deep learning with no modularization in a time period that was not used previously for neither training nor testing. To avoid confusion, we are using the following nomenclature in this study: KGML : Knowledge‐Guided Machine Learning, a modeling paradigm that aims to combine process‐based knowledge and modeling with deep learning models (Karpatne et al., 2017, 2022). MCL : Modular Compositional Learning, a KGML methodology in which the overall model is decomposed into modular sub‐aspects, each modular sub‐aspect can be a deep learning model or a process‐based model (Karpatne et al., 2017).…”
Section: Methodsmentioning
confidence: 99%
“…To highlight how the hybrid MCL model performs in capturing key physical limnological lake characteristics, we ran the hybrid MCL model against the process‐based model, the deep learning with no process, and the deep learning with no modularization in a time period that was not used previously for neither training nor testing. To avoid confusion, we are using the following nomenclature in this study: KGML : Knowledge‐Guided Machine Learning, a modeling paradigm that aims to combine process‐based knowledge and modeling with deep learning models (Karpatne et al., 2017, 2022). MCL : Modular Compositional Learning, a KGML methodology in which the overall model is decomposed into modular sub‐aspects, each modular sub‐aspect can be a deep learning model or a process‐based model (Karpatne et al., 2017).…”
Section: Methodsmentioning
confidence: 99%
“…Fourth, spatiotemporal problems are often highly interdisciplinary and require the integration of deep learning with physical knowledge [29]. This is because machine learning problems are often under-constrained.…”
Section: Unique Challengesmentioning
confidence: 99%
“…The approaches of Wekesa et al and Wang et al can be classified as hybrid ML approaches, which aim to capture "the best of both worlds" by combining the predictive powers of data-driven approaches of ML with the interpretability of theory-based models such as mechanistic or knowledge-based models. These types of models have been applied to several domains, most notably in physics-informed ML models 31 , and with respect to computational biology have been applied through several frameworks. ML models have been integrated with mechanistic models of metabolism to determine kinetic parameters and predict downstream metabolic effects 32 .…”
Section: Introductionmentioning
confidence: 99%