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Hierarchical Visualization of Materials Space with Graph Convolutional
  Neural Networks
v1v2 (latest)

Hierarchical Visualization of Materials Space with Graph Convolutional Neural Networks

9 July 2018
T. Xie
Jeffrey C. Grossman
    AI4CE
ArXiv (abs)PDFHTML

Papers citing "Hierarchical Visualization of Materials Space with Graph Convolutional Neural Networks"

10 / 10 papers shown
Towards scientific machine learning for granular material simulations -- challenges and opportunities
Towards scientific machine learning for granular material simulations -- challenges and opportunitiesArchives of Computational Methods in Engineering (ACME), 2025
Marc Fransen
Andreas Fürst
D. Tunuguntla
Daniel N. Wilke
Benedikt Alkin
...
Takayuki Shuku
WaiChing Sun
T. Weinhart
Dongwei Ye
Hongyang Cheng
AI4CE
395
8
0
01 Apr 2025
Predicting band gap from chemical composition: A simple learned model for a material property with atypical statistics
Predicting band gap from chemical composition: A simple learned model for a material property with atypical statistics
Andrew Ma
Owen Dugan
Marin Soljacic
214
1
0
06 Jan 2025
Substitutional Alloying Using Crystal Graph Neural Networks
Substitutional Alloying Using Crystal Graph Neural NetworksAIP Advances (AIP Adv.), 2023
Dario Massa
Daniel Cie'sliñski
A. Naghdi
Stefanos Papanikolaou
AI4CE
148
2
0
19 Jun 2023
Artificial Intelligence in Material Engineering: A review on
  applications of AI in Material Engineering
Artificial Intelligence in Material Engineering: A review on applications of AI in Material EngineeringAdvanced Engineering Materials (AEM), 2022
Lipichanda Goswami
Manoj Deka
Mohendra Roy
AI4CE
370
42
0
15 Sep 2022
Materials Representation and Transfer Learning for Multi-Property
  Prediction
Materials Representation and Transfer Learning for Multi-Property PredictionApplied Physics Reviews (APR), 2021
Shufeng Kong
D. Guevarra
Daniel Schwalbe-Koda
J. Gregoire
AI4CE
324
58
0
04 Jun 2021
Towards explainable message passing networks for predicting carbon
  dioxide adsorption in metal-organic frameworks
Towards explainable message passing networks for predicting carbon dioxide adsorption in metal-organic frameworks
Ali Raza
Faaiq G. Waqar
Arni Sturluson
Cory M. Simon
Xiaoli Z. Fern
AI4CE
207
3
0
02 Dec 2020
A Tailored Convolutional Neural Network for Nonlinear Manifold Learning
  of Computational Physics Data using Unstructured Spatial Discretizations
A Tailored Convolutional Neural Network for Nonlinear Manifold Learning of Computational Physics Data using Unstructured Spatial DiscretizationsSIAM Journal on Scientific Computing (SIAM J. Sci. Comput.), 2020
John Tencer
Kevin Potter
AI4CE
341
12
0
11 Jun 2020
Big-Data Science in Porous Materials: Materials Genomics and Machine
  Learning
Big-Data Science in Porous Materials: Materials Genomics and Machine LearningChemical Reviews (Chem. Rev.), 2020
Kevin Maik Jablonka
D. Ongari
S. M. Moosavi
B. Smit
AI4CE
368
443
0
18 Jan 2020
Graph Dynamical Networks for Unsupervised Learning of Atomic Scale
  Dynamics in Materials
Graph Dynamical Networks for Unsupervised Learning of Atomic Scale Dynamics in Materials
T. Xie
A. France-Lanord
Yanming Wang
Y. Shao-horn
Jeffrey C. Grossman
AI4CE
290
125
0
18 Feb 2019
Graph Convolutional Neural Networks for Polymers Property Prediction
Graph Convolutional Neural Networks for Polymers Property Prediction
M. Zeng
J. Kumar
Zengfeng Zeng
R. Savitha
V. Chandrasekhar
K. Hippalgaonkar
GNN
180
34
0
15 Nov 2018
1
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