Physics-Constrained Machine Learning for Chemical Engineering

Fuente: arXiv
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Autori principali: Mukherjee, Angan, Zavala, Victor M.
Natura: Preprint
Pubblicazione: 2025
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author Mukherjee, Angan
Zavala, Victor M.
author_facet Mukherjee, Angan
Zavala, Victor M.
contents Physics-constrained machine learning (PCML) combines physical models with data-driven approaches to improve reliability, generalizability, and interpretability. Although PCML has shown significant benefits in diverse scientific and engineering domains, technical and intellectual challenges hinder its applicability in complex chemical engineering applications. Key difficulties include determining the amount and type of physical knowledge to embed, designing effective fusion strategies with ML, scaling models to large datasets and simulators, and quantifying predictive uncertainty. This perspective summarizes recent developments and highlights challenges/opportunities in applying PCML to chemical engineering, emphasizing on closed-loop experimental design, real-time dynamics and control, and handling of multi-scale phenomena.
format Preprint
id arxiv_https___arxiv_org_abs_2508_20649
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Physics-Constrained Machine Learning for Chemical Engineering
Mukherjee, Angan
Zavala, Victor M.
Machine Learning
Systems and Control
Physics-constrained machine learning (PCML) combines physical models with data-driven approaches to improve reliability, generalizability, and interpretability. Although PCML has shown significant benefits in diverse scientific and engineering domains, technical and intellectual challenges hinder its applicability in complex chemical engineering applications. Key difficulties include determining the amount and type of physical knowledge to embed, designing effective fusion strategies with ML, scaling models to large datasets and simulators, and quantifying predictive uncertainty. This perspective summarizes recent developments and highlights challenges/opportunities in applying PCML to chemical engineering, emphasizing on closed-loop experimental design, real-time dynamics and control, and handling of multi-scale phenomena.
title Physics-Constrained Machine Learning for Chemical Engineering
topic Machine Learning
Systems and Control
url https://arxiv.org/abs/2508.20649