Perspective: Predicting and optimizing thermal transport properties with machine learning methods

In recent years, (big) data science has emerged as the “fourth paradigm” in physical science research. Data-driven techniques, e.g. machine learning, are advantageous in dealing with problems of high-dimensional features and complex mappings between quantities, which are otherwise of great difficult...

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Main Authors: Han Wei, Hua Bao, Xiulin Ruan
Format: Article
Language:English
Published: Elsevier 2022-05-01
Series:Energy and AI
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2666546822000143
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author Han Wei
Hua Bao
Xiulin Ruan
author_facet Han Wei
Hua Bao
Xiulin Ruan
author_sort Han Wei
collection DOAJ
description In recent years, (big) data science has emerged as the “fourth paradigm” in physical science research. Data-driven techniques, e.g. machine learning, are advantageous in dealing with problems of high-dimensional features and complex mappings between quantities, which are otherwise of great difficulty or huge cost with other scientific paradigms. In the past five years or so, there has been a rapid growth of machine learning-assisted research on thermal transport. In this perspective, we review the recent progress in the intersection between machine learning and thermal transport, where machine learning methods generally serve as surrogate models for predicting the thermal transport properties, or as tools for designing structures for the desired thermal properties and exploring thermal transport mechanisms. We provide perspectives about the advantages of machine learning methods in comparison to the physics-based methods for studying thermal transport properties. We also discuss how to improve the accuracy of predictive analytics and efficiency of structural optimization, to provide guidance for better utilizing machine learning-based methods to advance thermal transport research. Finally, we identify several outstanding challenges in this active area as well as opportunities for future developments, including developing machine learning methods suitable for small datasets, discovering effective physics-based descriptors, generating dataset from experiments and validating machine learning results with experiments, and making breakthroughs via discovering new physics.
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spelling doaj.art-34b30db329174993873bf31a676749192022-12-22T03:34:15ZengElsevierEnergy and AI2666-54682022-05-018100153Perspective: Predicting and optimizing thermal transport properties with machine learning methodsHan Wei0Hua Bao1Xiulin Ruan2University of Michigan-Shanghai Jiao Tong University Joint Institute, Shanghai Jiao Tong University, Shanghai 200240, ChinaUniversity of Michigan-Shanghai Jiao Tong University Joint Institute, Shanghai Jiao Tong University, Shanghai 200240, China; Corresponding authors.School of Mechanical Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, IN 47907, United States; Corresponding authors.In recent years, (big) data science has emerged as the “fourth paradigm” in physical science research. Data-driven techniques, e.g. machine learning, are advantageous in dealing with problems of high-dimensional features and complex mappings between quantities, which are otherwise of great difficulty or huge cost with other scientific paradigms. In the past five years or so, there has been a rapid growth of machine learning-assisted research on thermal transport. In this perspective, we review the recent progress in the intersection between machine learning and thermal transport, where machine learning methods generally serve as surrogate models for predicting the thermal transport properties, or as tools for designing structures for the desired thermal properties and exploring thermal transport mechanisms. We provide perspectives about the advantages of machine learning methods in comparison to the physics-based methods for studying thermal transport properties. We also discuss how to improve the accuracy of predictive analytics and efficiency of structural optimization, to provide guidance for better utilizing machine learning-based methods to advance thermal transport research. Finally, we identify several outstanding challenges in this active area as well as opportunities for future developments, including developing machine learning methods suitable for small datasets, discovering effective physics-based descriptors, generating dataset from experiments and validating machine learning results with experiments, and making breakthroughs via discovering new physics.http://www.sciencedirect.com/science/article/pii/S2666546822000143Thermal transport propertiesMachine learningPredictionOptimization
spellingShingle Han Wei
Hua Bao
Xiulin Ruan
Perspective: Predicting and optimizing thermal transport properties with machine learning methods
Energy and AI
Thermal transport properties
Machine learning
Prediction
Optimization
title Perspective: Predicting and optimizing thermal transport properties with machine learning methods
title_full Perspective: Predicting and optimizing thermal transport properties with machine learning methods
title_fullStr Perspective: Predicting and optimizing thermal transport properties with machine learning methods
title_full_unstemmed Perspective: Predicting and optimizing thermal transport properties with machine learning methods
title_short Perspective: Predicting and optimizing thermal transport properties with machine learning methods
title_sort perspective predicting and optimizing thermal transport properties with machine learning methods
topic Thermal transport properties
Machine learning
Prediction
Optimization
url http://www.sciencedirect.com/science/article/pii/S2666546822000143
work_keys_str_mv AT hanwei perspectivepredictingandoptimizingthermaltransportpropertieswithmachinelearningmethods
AT huabao perspectivepredictingandoptimizingthermaltransportpropertieswithmachinelearningmethods
AT xiulinruan perspectivepredictingandoptimizingthermaltransportpropertieswithmachinelearningmethods