最佳建模:发现软物质系统构成模型的新策略

IF 4.3 3区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Extreme Mechanics Letters Pub Date : 2024-06-11 DOI:10.1016/j.eml.2024.102181
Kevin Linka , Ellen Kuhl
{"title":"最佳建模:发现软物质系统构成模型的新策略","authors":"Kevin Linka ,&nbsp;Ellen Kuhl","doi":"10.1016/j.eml.2024.102181","DOIUrl":null,"url":null,"abstract":"<div><p>The ability to automatically discover interpretable mathematical models from data could forever change how we model soft matter systems. For convex discovery problems with a unique global minimum, model discovery is well-established. It uses a classical top-down approach that first calculates a dense parameter vector, and then sparsifies the vector by gradually removing terms. For non-convex discovery problems with multiple local minima, this strategy is infeasible since the initial parameter vector is generally non-unique. Here we propose a novel bottom-up approach that starts with a sparse single-term vector, and then densifies the vector by systematically adding terms. Along the way, we discover models of gradually increasing complexity, a strategy that we call <em>best-in-class modeling</em>. To identify and select successful candidate terms, we reverse-engineer a library of sixteen functional building blocks that integrate a century of knowledge in material modeling with recent trends in machine learning and artificial intelligence. Yet, instead of solving the NP hard discrete combinatorial problem with <span><math><mrow><msup><mrow><mn>2</mn></mrow><mrow><mn>16</mn></mrow></msup><mo>=</mo><mtext>65,536</mtext></mrow></math></span> possible combinations of terms, best-in-class modeling starts with the best one-term model and iteratively repeats adding terms, until the objective function meets a user-defined convergence criterion. Strikingly, for most practical purposes, we achieve good convergence with only one or two terms. We illustrate the best-in-class one- and two-term models for a variety of soft matter systems including rubber, brain, artificial meat, skin, and arteries. Our discovered models display distinct and unexpected features for each family of materials, and suggest that best-in-class modeling is an efficient, robust, and easy-to-use strategy to discover the mechanical signatures of traditional and unconventional soft materials. We anticipate that our technology will generalize naturally to other classes of natural and man made soft matter with applications in artificial organs, stretchable electronics, soft robotics, and artificial meat.</p></div>","PeriodicalId":56247,"journal":{"name":"Extreme Mechanics Letters","volume":"70 ","pages":"Article 102181"},"PeriodicalIF":4.3000,"publicationDate":"2024-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2352431624000610/pdfft?md5=8635feb1c661c9d1fcbbf9b338de5d71&pid=1-s2.0-S2352431624000610-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Best-in-class modeling: A novel strategy to discover constitutive models for soft matter systems\",\"authors\":\"Kevin Linka ,&nbsp;Ellen Kuhl\",\"doi\":\"10.1016/j.eml.2024.102181\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The ability to automatically discover interpretable mathematical models from data could forever change how we model soft matter systems. For convex discovery problems with a unique global minimum, model discovery is well-established. It uses a classical top-down approach that first calculates a dense parameter vector, and then sparsifies the vector by gradually removing terms. For non-convex discovery problems with multiple local minima, this strategy is infeasible since the initial parameter vector is generally non-unique. Here we propose a novel bottom-up approach that starts with a sparse single-term vector, and then densifies the vector by systematically adding terms. Along the way, we discover models of gradually increasing complexity, a strategy that we call <em>best-in-class modeling</em>. To identify and select successful candidate terms, we reverse-engineer a library of sixteen functional building blocks that integrate a century of knowledge in material modeling with recent trends in machine learning and artificial intelligence. Yet, instead of solving the NP hard discrete combinatorial problem with <span><math><mrow><msup><mrow><mn>2</mn></mrow><mrow><mn>16</mn></mrow></msup><mo>=</mo><mtext>65,536</mtext></mrow></math></span> possible combinations of terms, best-in-class modeling starts with the best one-term model and iteratively repeats adding terms, until the objective function meets a user-defined convergence criterion. Strikingly, for most practical purposes, we achieve good convergence with only one or two terms. We illustrate the best-in-class one- and two-term models for a variety of soft matter systems including rubber, brain, artificial meat, skin, and arteries. Our discovered models display distinct and unexpected features for each family of materials, and suggest that best-in-class modeling is an efficient, robust, and easy-to-use strategy to discover the mechanical signatures of traditional and unconventional soft materials. We anticipate that our technology will generalize naturally to other classes of natural and man made soft matter with applications in artificial organs, stretchable electronics, soft robotics, and artificial meat.</p></div>\",\"PeriodicalId\":56247,\"journal\":{\"name\":\"Extreme Mechanics Letters\",\"volume\":\"70 \",\"pages\":\"Article 102181\"},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2024-06-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S2352431624000610/pdfft?md5=8635feb1c661c9d1fcbbf9b338de5d71&pid=1-s2.0-S2352431624000610-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Extreme Mechanics Letters\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2352431624000610\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Extreme Mechanics Letters","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2352431624000610","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

摘要

从数据中自动发现可解释数学模型的能力将永远改变我们对软物质系统建模的方式。对于具有唯一全局最小值的凸发现问题,模型发现已经得到公认。它采用经典的自顶向下方法,首先计算密集的参数向量,然后通过逐步删除项来稀疏化向量。对于具有多个局部最小值的非凸发现问题,这种策略是不可行的,因为初始参数向量通常是非唯一的。在这里,我们提出了一种新颖的自下而上的方法,即从稀疏的单项向量开始,然后通过系统地添加项来使向量致密。在此过程中,我们会发现复杂度逐渐增加的模型,我们称这种策略为 "同类最佳建模"。为了识别和选择成功的候选项,我们反向设计了一个由十六个功能构件组成的库,该库将一个世纪以来的材料建模知识与机器学习和人工智能的最新趋势融为一体。然而,最佳同类建模并不是解决具有 216=65,536 种可能术语组合的 NP 难离散组合问题,而是从最佳单术语模型开始,反复添加术语,直到目标函数满足用户定义的收敛标准。值得注意的是,在大多数实际应用中,我们只需一到两个项就能达到很好的收敛效果。我们为橡胶、大脑、人造肉、皮肤和动脉等各种软物质系统展示了同类最佳的单项和双项模型。我们发现的模型对每个材料系列都显示出独特和意想不到的特征,并表明同类最佳建模是发现传统和非传统软材料力学特征的一种高效、稳健和易于使用的策略。我们预计,我们的技术将自然而然地推广到其他类别的天然和人造软物质,并应用于人造器官、可拉伸电子器件、软机器人和人造肉。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Best-in-class modeling: A novel strategy to discover constitutive models for soft matter systems

The ability to automatically discover interpretable mathematical models from data could forever change how we model soft matter systems. For convex discovery problems with a unique global minimum, model discovery is well-established. It uses a classical top-down approach that first calculates a dense parameter vector, and then sparsifies the vector by gradually removing terms. For non-convex discovery problems with multiple local minima, this strategy is infeasible since the initial parameter vector is generally non-unique. Here we propose a novel bottom-up approach that starts with a sparse single-term vector, and then densifies the vector by systematically adding terms. Along the way, we discover models of gradually increasing complexity, a strategy that we call best-in-class modeling. To identify and select successful candidate terms, we reverse-engineer a library of sixteen functional building blocks that integrate a century of knowledge in material modeling with recent trends in machine learning and artificial intelligence. Yet, instead of solving the NP hard discrete combinatorial problem with 216=65,536 possible combinations of terms, best-in-class modeling starts with the best one-term model and iteratively repeats adding terms, until the objective function meets a user-defined convergence criterion. Strikingly, for most practical purposes, we achieve good convergence with only one or two terms. We illustrate the best-in-class one- and two-term models for a variety of soft matter systems including rubber, brain, artificial meat, skin, and arteries. Our discovered models display distinct and unexpected features for each family of materials, and suggest that best-in-class modeling is an efficient, robust, and easy-to-use strategy to discover the mechanical signatures of traditional and unconventional soft materials. We anticipate that our technology will generalize naturally to other classes of natural and man made soft matter with applications in artificial organs, stretchable electronics, soft robotics, and artificial meat.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Extreme Mechanics Letters
Extreme Mechanics Letters Engineering-Mechanics of Materials
CiteScore
9.20
自引率
4.30%
发文量
179
审稿时长
45 days
期刊介绍: Extreme Mechanics Letters (EML) enables rapid communication of research that highlights the role of mechanics in multi-disciplinary areas across materials science, physics, chemistry, biology, medicine and engineering. Emphasis is on the impact, depth and originality of new concepts, methods and observations at the forefront of applied sciences.
期刊最新文献
Full range fragmentation simulation of nanoflake filler-matrix composite coatings on a polymer substrate A kinematics-based single-actuator setup for constant-curvature bending tests in extremely large deformations Aperture size control in kirigami metamaterials: Towards enhanced performance and applications Origami electronic membranes as highly shape-morphable mechanical and environmental sensing systems Effect of rate on the response and localized transformation patterns in NiTi Tubes
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1