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Reification of latent microstructures: On supervised unsupervised and semi-supervised deep learning applications for microstructures in materials informatics

Technical Report ·
DOI:https://doi.org/10.2172/1673174· OSTI ID:1673174
 [1];  [1];  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Machine learning (ML), including deep learning (DL), has become increasingly popular in the last few years due to its continually outstanding performance. In this context, we apply machine learning techniques to "learn" the microstructure using both supervised and unsupervised DL techniques. In particular, we focus (1) on the localization problem bridging (micro)structure (localized) property using supervised DL and (2) on the microstructure reconstruction problem in latent space using unsupervised DL. The goal of supervised and semi-supervised DL is to replace crystal plasticity finite element model (CPFEM) that maps from (micro)structure (localized) property, and implicitly the (micro)structure (homogenized) property relationships, while the goal of unsupervised DL is (1) to represent high-dimensional microstructure images in a non-linear low-dimensional manifold, and (2) to discover a way to interpolate microstructures via latent space associating with latent microstructure variables. At the heart of this report is the applications of several common DL architectures, including convolutional neural networks (CNN), autoencoder (AE), and generative adversarial network (GAN), to multiple microstructure datasets, and the quest of neural architecture search for optimal DL architectures.

Research Organization:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program
DOE Contract Number:
AC04-94AL85000; NA0003525
OSTI ID:
1673174
Report Number(s):
SAND--2020-10580; 691296
Country of Publication:
United States
Language:
English

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