An Adaptive Block Bregman Proximal Gradient Method for Computing Stationary States of Multicomponent Phase-Field Crystal Model

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2020-05-26 DOI:10.4208/csiam-am.so-2021-0002
Chenglong Bao, Chang Chen, Kai Jiang
{"title":"An Adaptive Block Bregman Proximal Gradient Method for Computing Stationary States of Multicomponent Phase-Field Crystal Model","authors":"Chenglong Bao, Chang Chen, Kai Jiang","doi":"10.4208/csiam-am.so-2021-0002","DOIUrl":null,"url":null,"abstract":"In this paper, we compute the stationary states of the multicomponent phase-field crystal model by formulating it as a block constrained minimization problem. The original infinite-dimensional non-convex minimization problem is approximated by a finite-dimensional constrained non-convex minimization problem after an appropriate spatial discretization. To efficiently solve the above optimization problem, we propose a so-called adaptive block Bregman proximal gradient (AB-BPG) algorithm that fully exploits the problem's block structure. The proposed method updates each order parameter alternatively, and the update order of blocks can be chosen in a deterministic or random manner. Besides, we choose the step size by developing a practical linear search approach such that the generated sequence either keeps energy dissipation or has a controllable subsequence with energy dissipation. The convergence property of the proposed method is established without the requirement of global Lipschitz continuity of the derivative of the bulk energy part by using the Bregman divergence. The numerical results on computing stationary ordered structures in binary, ternary, and quinary component coupled-mode Swift-Hohenberg models have shown a significant acceleration over many existing methods.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2020-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.4208/csiam-am.so-2021-0002","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

In this paper, we compute the stationary states of the multicomponent phase-field crystal model by formulating it as a block constrained minimization problem. The original infinite-dimensional non-convex minimization problem is approximated by a finite-dimensional constrained non-convex minimization problem after an appropriate spatial discretization. To efficiently solve the above optimization problem, we propose a so-called adaptive block Bregman proximal gradient (AB-BPG) algorithm that fully exploits the problem's block structure. The proposed method updates each order parameter alternatively, and the update order of blocks can be chosen in a deterministic or random manner. Besides, we choose the step size by developing a practical linear search approach such that the generated sequence either keeps energy dissipation or has a controllable subsequence with energy dissipation. The convergence property of the proposed method is established without the requirement of global Lipschitz continuity of the derivative of the bulk energy part by using the Bregman divergence. The numerical results on computing stationary ordered structures in binary, ternary, and quinary component coupled-mode Swift-Hohenberg models have shown a significant acceleration over many existing methods.
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
多组分相场晶体模型稳态计算的自适应块Bregman近端梯度法
在本文中,我们通过将多组分相场晶体模型公式化为块约束最小化问题来计算其稳态。在适当的空间离散化之后,将原始的无限维非凸最小化问题近似为有限维约束非凸最小化。为了有效地解决上述优化问题,我们提出了一种所谓的自适应块Bregman近端梯度(AB-BPG)算法,该算法充分利用了问题的块结构。所提出的方法交替地更新每个顺序参数,并且块的更新顺序可以以确定性或随机的方式选择。此外,我们通过开发一种实用的线性搜索方法来选择步长,使得生成的序列要么保持能量耗散,要么具有具有能量耗散的可控子序列。利用Bregman散度,在不要求体能部分导数全局Lipschitz连续性的情况下,建立了该方法的收敛性。在二元、三元和五元分量耦合模式Swift-Hohenberg模型中计算平稳有序结构的数值结果表明,与许多现有方法相比,该方法具有显著的加速作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
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.
期刊最新文献
Intentions to move abroad among medical students: a cross-sectional study to investigate determinants and opinions. Analysis of Medical Rehabilitation Needs of 2023 Kahramanmaraş Earthquake Victims: Adıyaman Example. Efficacy of whole body vibration on fascicle length and joint angle in children with hemiplegic cerebral palsy. The change process questionnaire (CPQ): A psychometric validation. Prevalence and predictors of hand hygiene compliance in clinical, surgical and intensive care unit wards: results of a second cross-sectional study at the Umberto I teaching hospital of Rome.
×
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