Physics Knowledge Discovery via Neural Differential Equation Embedding

Yexiang Xue*, Md Nasim, Maosen Zhang, Cuncai Fan, Xinghang Zhang, Anter El-Azab

*Corresponding author for this work

Research output: Chapters, Conference Papers, Creative and Literary WorksRGC 32 - Refereed conference paper (with host publication)peer-review

8 Citations (Scopus)

Abstract

Despite much interest, physics knowledge discovery from experiment data remains largely a manual trial-and-error process. This paper proposes neural differential equation embedding (NeuraDiff), an end-to-end approach to learn a physics model characterized by a set of partial differential equations directly from experiment data. The key idea is the integration of two neural networks – one recognition net extracting the values of physics model variables from experimental data, and the other neural differential equation net simulating the temporal evolution of the physics model. Learning is completed by matching the outcomes of the two neural networks. We apply NeuraDiff to the real-world application of tracking and learning the physics model of nano-scale defects in crystalline materials under irradiation and high temperature. Experimental results demonstrate that NeuraDiff produces highly accurate tracking results while capturing the correct dynamics of nano-scale defects.
Original languageEnglish
Title of host publicationMachine Learning and Knowledge Discovery in Databases. Applied Data Science Track
Subtitle of host publicationEuropean Conference, ECML PKDD 2021, Bilbao, Spain, September 13–17, 2021, Proceedings, Part V
EditorsYuxiao Dong, Nicolas Kourtellis, Barbara Hammer, Jose A. Lozano
Place of PublicationCham
PublisherSpringer 
Pages118-134
ISBN (Electronic)978-3-030-86517-7
ISBN (Print)978-3-030-86516-0
DOIs
Publication statusPublished - 2021
Externally publishedYes
EventEuropean Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases (ECML PKDD 2021) - Virtual, Bilbao, Spain
Duration: 13 Sept 202117 Sept 2021

Publication series

NameLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence)
Volume12979
ISSN (Print)0302-9743
ISSN (Electronic)1611-3349

Conference

ConferenceEuropean Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases (ECML PKDD 2021)
PlaceSpain
CityBilbao
Period13/09/2117/09/21

Research Keywords

  • Nano-scale materials science
  • Neural differential equation embedding
  • Physics knowledge discovery

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