Large set microstructure reconstruction mimicking quantum computing approach via deep learning

Yanming Liu, Shu Jian Chen, Kwesi Sagoe-Crentsil, Wenhui Duan

Research output: Contribution to journalArticleResearchpeer-review

Abstract

Microstructural characterization and reconstruction (MCR) is critical for unearthing processing-structure-property (PSP) links in new materials discovery, design and development. However, the inherent generation of large sets of digital microstructures remains challenging due to the optimization requirements of conventional MCR platforms. In this study, we designed a new framework of MCR mimicking quantum computing (QC) approach to boost the speed of reconstructions. A 2D probabilistic map was utilized as input which contains multi-point correlation functions of the microstructure. The designed framework generates 3D microstructures from the probabilistic map based on a set of parameters calibrated via a deep learning algorithm. Such a framework converts the optimization process of MCR into a parameter extraction process replicating Shor's algorithm. The improved efficiency allows material scientists to build sensible PSP links via simulation and data-mining techniques. This method also demonstrates a potential methodology to achieve quantum supremacy with the aid of deep learning using a classical computer.

Original languageEnglish
Article number117860
Number of pages10
JournalActa Materialia
Volume230
DOIs
Publication statusPublished - 15 May 2022

Keywords

  • Computational material
  • Deep learning
  • Microstructure characterization and reconstruction
  • Processing-structure-property links
  • Quantum-inspired algorithm

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