{"title":"Enhancing Computational Efficiency in Porous Media Analysis: Integrating Machine Learning with Monte Carlo Ray Tracing","authors":"Farhin Tabassum, S. Hajimirza","doi":"10.1115/1.4065895","DOIUrl":null,"url":null,"abstract":"\n Monte Carlo ray tracing (MCRT) has been a widely implemented and reliable computational method for calculating light-matter interaction in porous media, the computational modeling of porous media and performing MCRT becomes significantly expensive when dealing with intricate structures and numerous dependent variables. Hence, Machine Learning (ML) models have been utilized to overcome computational burdens. In this study, we investigate two distinct frameworks for characterizing radiative properties in porous media for pack-free and packing-based methods. We employ two different regression tools for each case, namely Gaussian process regressions for pack-free MCRT and Convolutional Neural Network (CNN) models for pack-based MCRT to predict the radiative properties. Our study highlights the importance of selecting the appropriate regression method based on the physical model, which can lead to significant computational efficiency improvement. Our results show that both models can predict the radiative properties with high accuracy (>90%). Furthermore, we demonstrate that combining MCRT with ML inference not only enhances predictive accuracy but also reduces the computational cost of simulation by more than 96% using the GP model and 99% for the CNN model.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":"141 3","pages":""},"PeriodicalIF":16.4000,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1115/1.4065895","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Monte Carlo ray tracing (MCRT) has been a widely implemented and reliable computational method for calculating light-matter interaction in porous media, the computational modeling of porous media and performing MCRT becomes significantly expensive when dealing with intricate structures and numerous dependent variables. Hence, Machine Learning (ML) models have been utilized to overcome computational burdens. In this study, we investigate two distinct frameworks for characterizing radiative properties in porous media for pack-free and packing-based methods. We employ two different regression tools for each case, namely Gaussian process regressions for pack-free MCRT and Convolutional Neural Network (CNN) models for pack-based MCRT to predict the radiative properties. Our study highlights the importance of selecting the appropriate regression method based on the physical model, which can lead to significant computational efficiency improvement. Our results show that both models can predict the radiative properties with high accuracy (>90%). Furthermore, we demonstrate that combining MCRT with ML inference not only enhances predictive accuracy but also reduces the computational cost of simulation by more than 96% using the GP model and 99% for the CNN model.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.