Ankita Biswas, Shunshun Liu, Sunidhi Garg, Md Golam Morshed, Hamed Vakili, Avik W. Ghosh, Prasanna V. Balachandran
{"title":"Integrating adaptive learning with post hoc model explanation and symbolic regression to build interpretable surrogate models","authors":"Ankita Biswas, Shunshun Liu, Sunidhi Garg, Md Golam Morshed, Hamed Vakili, Avik W. Ghosh, Prasanna V. Balachandran","doi":"10.1557/s43579-024-00633-5","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>We develop a materials informatics workflow to build an interpretable surrogate model for micromagnetic simulations. Our goal is to predict the energy barrier of a moving isolated skyrmion in rare-earth-free <span>\\(\\hbox {Mn}_4\\)</span>N. Our approach integrates adaptive learning with post hoc model explanation and symbolic regression methods. We discuss an unexplored acquisition function (information condensing active learning) within the adaptive learning loop and compare it with the known standard deviation function for efficient navigation of the search space. Model-agnostic post hoc explanation techniques then uncover trends learned by the trained model, which we then leverage to constrain the expressions used for symbolic regression.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\n","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"12 1","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2024-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"MRS Communications","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1557/s43579-024-00633-5","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
We develop a materials informatics workflow to build an interpretable surrogate model for micromagnetic simulations. Our goal is to predict the energy barrier of a moving isolated skyrmion in rare-earth-free \(\hbox {Mn}_4\)N. Our approach integrates adaptive learning with post hoc model explanation and symbolic regression methods. We discuss an unexplored acquisition function (information condensing active learning) within the adaptive learning loop and compare it with the known standard deviation function for efficient navigation of the search space. Model-agnostic post hoc explanation techniques then uncover trends learned by the trained model, which we then leverage to constrain the expressions used for symbolic regression.
期刊介绍：
MRS Communications is a full-color, high-impact journal focused on rapid publication of completed research with broad appeal to the materials community. MRS Communications offers a rapid but rigorous peer-review process and time to publication. Leveraging its access to the far-reaching technical expertise of MRS members and leading materials researchers from around the world, the journal boasts an experienced and highly respected board of principal editors and reviewers.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
