Structure-preserving dimensionality reduction for learning Hamiltonian dynamics

IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Journal of Computational Physics Pub Date : 2025-02-10 DOI:10.1016/j.jcp.2025.113832
Jānis Bajārs, Dāvis Kalvāns
{"title":"Structure-preserving dimensionality reduction for learning Hamiltonian dynamics","authors":"Jānis Bajārs,&nbsp;Dāvis Kalvāns","doi":"10.1016/j.jcp.2025.113832","DOIUrl":null,"url":null,"abstract":"<div><div>Structure-preserving data-driven learning algorithms have recently received high attention, e.g., the development of the symplecticity-preserving neural networks SympNets for learning the flow of a Hamiltonian system. The preservation of structural properties by neural networks has been shown to produce qualitatively better long-time predictions. Learning the flow of high-dimensional Hamiltonian dynamics still poses a great challenge due to the increase in neural network model complexity and, thus, the significant increase in training time. In this work, we investigate dimensionality reduction techniques of training datasets of solutions to Hamiltonian dynamics, which can be well modeled in a lower-dimensional subspace. For learning the flow of such Hamiltonian dynamics with symplecticity-preserving neural networks SympNets, we propose dimensionality reduction with the proper symplectic decomposition (PSD). PSD was originally proposed to obtain symplectic reduced-order models of Hamiltonian systems. We demonstrate the proposed purely data-driven approach by learning the nonlinear localized discrete breather solutions in a one-dimensional crystal lattice model. Considering three near-optimal PSD solutions, i.e., cotangent lift, complex SVD, and dimension-reduced nonlinear programming solutions, we find that learning the SPD-reduced Hamiltonian dynamics is not only more computationally efficient compared to learning the whole high-dimensional model, but we can also obtain comparably qualitatively good long-time predictions. Specifically, the cotangent lift and nonlinear programming PSD solutions demonstrate significantly enhanced long-term prediction capabilities, outperforming the approach of learning Hamiltonian dynamics with non-symplectic proper orthogonal decomposition (POD) dimensionality reduction.</div></div>","PeriodicalId":352,"journal":{"name":"Journal of Computational Physics","volume":"528 ","pages":"Article 113832"},"PeriodicalIF":3.8000,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Computational Physics","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0021999125001159","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
引用次数: 0

Abstract

Structure-preserving data-driven learning algorithms have recently received high attention, e.g., the development of the symplecticity-preserving neural networks SympNets for learning the flow of a Hamiltonian system. The preservation of structural properties by neural networks has been shown to produce qualitatively better long-time predictions. Learning the flow of high-dimensional Hamiltonian dynamics still poses a great challenge due to the increase in neural network model complexity and, thus, the significant increase in training time. In this work, we investigate dimensionality reduction techniques of training datasets of solutions to Hamiltonian dynamics, which can be well modeled in a lower-dimensional subspace. For learning the flow of such Hamiltonian dynamics with symplecticity-preserving neural networks SympNets, we propose dimensionality reduction with the proper symplectic decomposition (PSD). PSD was originally proposed to obtain symplectic reduced-order models of Hamiltonian systems. We demonstrate the proposed purely data-driven approach by learning the nonlinear localized discrete breather solutions in a one-dimensional crystal lattice model. Considering three near-optimal PSD solutions, i.e., cotangent lift, complex SVD, and dimension-reduced nonlinear programming solutions, we find that learning the SPD-reduced Hamiltonian dynamics is not only more computationally efficient compared to learning the whole high-dimensional model, but we can also obtain comparably qualitatively good long-time predictions. Specifically, the cotangent lift and nonlinear programming PSD solutions demonstrate significantly enhanced long-term prediction capabilities, outperforming the approach of learning Hamiltonian dynamics with non-symplectic proper orthogonal decomposition (POD) dimensionality reduction.
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
求助全文
约1分钟内获得全文 去求助
来源期刊
Journal of Computational Physics
Journal of Computational Physics 物理-计算机:跨学科应用
CiteScore
7.60
自引率
14.60%
发文量
763
审稿时长
5.8 months
期刊介绍: Journal of Computational Physics thoroughly treats the computational aspects of physical problems, presenting techniques for the numerical solution of mathematical equations arising in all areas of physics. The journal seeks to emphasize methods that cross disciplinary boundaries. The Journal of Computational Physics also publishes short notes of 4 pages or less (including figures, tables, and references but excluding title pages). Letters to the Editor commenting on articles already published in this Journal will also be considered. Neither notes nor letters should have an abstract.
期刊最新文献
Editorial Board Learning and predicting dynamics of compositional multiphase mixtures using Graph Neural Networks Finite volume method for reduced multi-layer model of compressible Brinkman flow in high-dimensional fractured reservoirs with damage zones Generalized upwind summation-by-parts operators and their application to nodal discontinuous Galerkin methods A precise conformally mapped method for water waves in complex transient environments
×
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