skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Deep materials informatics: Applications of deep learning in materials science



Publication Date:
Research Org.:
Northwestern Univ., Evanston, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
DOE Contract Number:  
SC0007456; SC0014330
Resource Type:
Journal Article
Journal Name:
MRS Communications
Additional Journal Information:
Journal Volume: 9; Journal Issue: 3; Journal ID: ISSN 2159-6859
Materials Research Society - Cambridge University Press
Country of Publication:
United States
Materials Science

Citation Formats

Agrawal, Ankit, and Choudhary, Alok. Deep materials informatics: Applications of deep learning in materials science. United States: N. p., 2019. Web. doi:10.1557/mrc.2019.73.
Agrawal, Ankit, & Choudhary, Alok. Deep materials informatics: Applications of deep learning in materials science. United States.
Agrawal, Ankit, and Choudhary, Alok. 2019. "Deep materials informatics: Applications of deep learning in materials science". United States.
title = {Deep materials informatics: Applications of deep learning in materials science},
author = {Agrawal, Ankit and Choudhary, Alok},
abstractNote = {Abstract},
doi = {10.1557/mrc.2019.73},
url = {}, journal = {MRS Communications},
issn = {2159-6859},
number = 3,
volume = 9,
place = {United States},
year = {2019},
month = {6}

Works referenced in this record:

High Throughput Quantitative Metallography for Complex Microstructures Using Deep Learning: A Case Study in Ultrahigh Carbon Steel
journal, February 2019

Deep neural networks for accurate predictions of crystal stability
journal, September 2018

Context Aware Machine Learning Approaches for Modeling Elastic Localization in Three-Dimensional Composite Microstructures
journal, March 2017

USPEX—Evolutionary crystal structure prediction
journal, December 2006

ImageNet: A large-scale hierarchical image database
conference, June 2009

  • Deng, Jia; Dong, Wei; Socher, Richard
  • 2009 IEEE Computer Society Conference on Computer Vision and Pattern Recognition Workshops (CVPR Workshops), 2009 IEEE Conference on Computer Vision and Pattern Recognition

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013

How to represent crystal structures for machine learning: Towards fast prediction of electronic properties
journal, May 2014

Context Encoders: Feature Learning by Inpainting
conference, June 2016

Deep Neural Networks for Acoustic Modeling in Speech Recognition: The Shared Views of Four Research Groups
journal, November 2012

Extracting Grain Orientations from EBSD Patterns of Polycrystalline Materials Using Convolutional Neural Networks
journal, October 2018

Combinatorial screening for new materials in unconstrained composition space with machine learning
journal, March 2014

Demystifying Big Data Analytics for Business Intelligence Through the Lens of Marketing Mix
journal, March 2015

SILVERBACK+: scalable association mining via fast list intersection for columnar social data
journal, July 2016

Materials Knowledge Systems in Python—a Data Science Framework for Accelerated Development of Hierarchical Materials
journal, March 2017

Forecasting Influenza Levels Using Real-Time Social Media Streams
conference, August 2017

The mythos of model interpretability
journal, September 2018

Parallel DTFE Surface Density Field Reconstruction
conference, September 2016

Deep Residual Learning for Image Recognition
conference, June 2016

The protein folding problem: when will it be solved?
journal, June 2007

Big Data in Climate: Opportunities and Challenges for Machine Learning
conference, January 2017

Crystal Structure Prediction via Deep Learning
journal, June 2018

Intelligible models for classification and regression
conference, January 2012

Machine learning in materials informatics: recent applications and prospects
journal, December 2017

Microstructural Materials Design Via Deep Adversarial Learning Methodology
journal, October 2018

Material structure-property linkages using three-dimensional convolutional neural networks
journal, March 2018

Stochastic microstructure characterization and reconstruction via supervised learning
journal, January 2016

Approximation capabilities of multilayer feedforward networks
journal, January 1991

A Formation Energy Predictor for Crystalline Materials Using Ensemble Data Mining
conference, December 2016

Random field models for two-phase microstructures
journal, September 2003

167-PFlops Deep Learning for Electron Microscopy: From Learning Physics to Atomic Manipulation
conference, November 2018

  • Patton, Robert M.; Johnston, J. Travis; Young, Steven R.
  • SC18: International Conference for High Performance Computing, Networking, Storage and Analysis

Descriptor-based methodology for statistical characterization and 3D reconstruction of microstructural materials
journal, April 2014

Crystal structure representations for machine learning models of formation energies
journal, April 2015

Inorganic structure prediction with GRINSP
journal, March 2005

Learning representations by back-propagating errors
journal, October 1986

Image Style Transfer Using Convolutional Neural Networks
conference, June 2016

Computational microstructure characterization and reconstruction for stochastic multiscale material design
journal, January 2013

SchNet – A deep learning architecture for molecules and materials
journal, June 2018

Deep learning approaches for mining structure-property linkages in high contrast composites from simulation datasets
journal, August 2018

Materials discovery: Understanding polycrystals from large-scale electron patterns
conference, December 2016

Microstructure reconstruction using entropic descriptors
journal, September 2010

A Dictionary Approach to Electron Backscatter Diffraction Indexing
journal, June 2015

Big Data Analytics in Healthcare
journal, January 2015

An online tool for predicting fatigue strength of steel alloys based on ensemble data mining
journal, August 2018

Effects of big data analytics and traditional marketing analytics on new product success: A knowledge fusion perspective
journal, May 2016

Parallel Deep Convolutional Neural Network Training by Exploiting the Overlapping of Computation and Communication
conference, December 2017

Accelerating pairwise statistical significance estimation for local alignment by harvesting GPU's power
journal, April 2012

Toward enhanced understanding and projections of climate extremes using physics-guided data mining techniques
journal, January 2014

Deep learning
journal, May 2015

Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds
journal, March 2015

Big data analytics: a survey
journal, October 2015

Machine learning approaches for elastic localization linkages in high-contrast composite materials
journal, December 2015

A general-purpose machine learning framework for predicting properties of inorganic materials
journal, August 2016

High-Resolution Image Synthesis and Semantic Manipulation with Conditional GANs
conference, June 2018

StackGAN: Text to Photo-Realistic Image Synthesis with Stacked Generative Adversarial Networks
conference, October 2017

Methods for interpreting and understanding deep neural networks
journal, February 2018

Representation of compounds for machine-learning prediction of physical properties
journal, April 2017

A Transfer Learning Approach for Microstructure Reconstruction and Structure-property Predictions
journal, September 2018

Materials Informatics: The Materials “Gene” and Big Data
journal, July 2015

Deep Convolutional Neural Networks with transfer learning for computer vision-based data-driven pavement distress detection
journal, December 2017

Social big data: Recent achievements and new challenges
journal, March 2016

Big Universe, Big Data: Machine Learning and Image Analysis for Astronomy
journal, March 2017

Reducing infrequent-token perplexity via variational corpora
conference, January 2015

  • Xie, Yusheng; Daga, Pranjal; Cheng, Yu
  • Proceedings of the 53rd Annual Meeting of the Association for Computational Linguistics and the 7th International Joint Conference on Natural Language Processing (Volume 2: Short Papers)