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

Abstract

Abstract

Authors:
;
Publication Date:
Research Org.:
Northwestern Univ., Evanston, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1610956
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
Publisher:
Materials Research Society - Cambridge University Press
Country of Publication:
United States
Language:
English
Subject:
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. https://doi.org/10.1557/mrc.2019.73
Agrawal, Ankit, and Choudhary, Alok. 2019. "Deep materials informatics: Applications of deep learning in materials science". United States. https://doi.org/10.1557/mrc.2019.73.
@article{osti_1610956,
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 = {https://www.osti.gov/biblio/1610956}, 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
  • https://doi.org/10.1109/CVPR.2009.5206848

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
  • https://doi.org/10.1109/SC.2018.00053

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)
  • https://doi.org/10.3115/v1/P15-2101