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Accelerating the screening of amorphous polymer electrolytes by learning to reduce random and systematic errors in molecular dynamics simulations

Jan 13, 2021
Tian Xie, Arthur France-Lanord, Yanming Wang, Jeffrey Lopez, Michael Austin Stolberg, Megan Hill, Graham Michael Leverick, Rafael Gomez-Bombarelli, Jeremiah A. Johnson, Yang Shao-Horn, Jeffrey C. Grossman

* 25 pages, 5 figures + supplementary information 

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GraphHop: An Enhanced Label Propagation Method for Node Classification

Jan 07, 2021
Tian Xie, Bin Wang, C. -C. Jay Kuo


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Boosting Retailer Revenue by Generated Optimized Combined Multiple Digital Marketing Campaigns

Sep 09, 2020
Yafei Xu, Tian Xie, Yu Zhang


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Adversarial Representation Learning on Large-Scale Bipartite Graphs

Jun 27, 2019
Chaoyang He, Tian Xie, Yu Rong, Wenbing Huang, Junzhou Huang, Xiang Ren, Cyrus Shahabi

* 15 pages. Submitted to NeurIPS 2019 (Thirty-third Conference on Neural Information Processing Systems) 

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Graph Dynamical Networks: Unsupervised Learning of Atomic Scale Dynamics in Materials

Feb 18, 2019
Tian Xie, Arthur France-Lanord, Yanming Wang, Yang Shao-Horn, Jeffrey C. Grossman

* 23 + 5 pages, 5 + 2 figures 

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Hierarchical Visualization of Materials Space with Graph Convolutional Neural Networks

Sep 18, 2018
Tian Xie, Jeffrey C. Grossman

* 22 + 7 pages, 6 + 5 figures 

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