MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with
Multitask Learning for Material Property Prediction

MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction

14 November 2018

J. Balachandran

Padmini Rajagopalan

Suchismita Sanyal

Partha P. Talukdar

Papers citing "MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction"

18 / 18 papers shown

Title
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems Yunyang Li Zaishuo Xia Lin Huang Xinran Wei Han Yang ... Zun Wang Chang-Shu Liu Jia Zhang Bin Shao Mark B. Gerstein 77 0 0 26 Feb 2025
MoMa: A Modular Deep Learning Framework for Material Property Prediction Botian Wang Y. Ouyang Yaohui Li Y. Wang Haorui Cui Jianbing Zhang Xiaonan Wang Wei-Ying Ma Hao Zhou 44 0 0 21 Feb 2025
Many-body Expansion Based Machine Learning Models for Octahedral Transition Metal Complexes Ralf Meyer Daniel B K Chu Heather J. Kulik 21 0 0 12 Oct 2024
Enhancing material property prediction with ensemble deep graph convolutional networks Chowdhury Mohammad Abid Rahman Ghadendra B. Bhandari Nasser M. Nasrabadi Aldo H. Romero P. Gyawali AI4CE 45 3 0 26 Jul 2024
Accelerating Material Property Prediction using Generically Complete Isometry Invariants Jonathan Balasingham Viktor Zamaraev V. Kurlin 14 5 0 22 Jan 2024
Evaluating the diversity and utility of materials proposed by generative models Alexander New Michael Pekala Elizabeth A. Pogue Nam Q. Le Janna Domenico C. Piatko Christopher D. Stiles AI4CE 27 1 0 09 Aug 2023
Chemellia: An Ecosystem for Atomistic Scientific Machine Learning Anant Thazhemadam Dhairya Gandhi V. Viswanathan Rachel C. Kurchin 13 0 0 19 May 2023
Leveraging Language Representation for Material Recommendation, Ranking, and Exploration Jiaxing Qu Yuxuan Richard Xie K. Ciesielski Claire E. Porter E. Toberer Elif Ertekin 21 3 0 01 May 2023
Geometric Deep Learning for Molecular Crystal Structure Prediction Michael Kilgour J. Rogal M. Tuckerman 13 16 0 17 Mar 2023
Material Property Prediction using Graphs based on Generically Complete Isometry Invariants Jonathan Balasingham Viktor Zamaraev Vitaliy Kurlin 6 5 0 19 Dec 2022
Artificial Intelligence in Material Engineering: A review on applications of AI in Material Engineering Lipichanda Goswami Manoj Deka Mohendra Roy AI4CE 34 19 0 15 Sep 2022
Curvature-informed multi-task learning for graph networks Alexander New M. Pekala Nam Q. Le Janna Domenico C. Piatko Christopher D. Stiles 25 4 0 02 Aug 2022
Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems Massimiliano Lupo Pasini Pei Zhang S. Reeve Jong Youl Choi AI4CE 14 16 0 04 Feb 2022
Structure-Aware Hierarchical Graph Pooling using Information Bottleneck Kashob Kumar Roy Amit Roy A. Rahman M. A. Amin A. Ali 14 12 0 27 Apr 2021
Predicting Material Properties Using a 3D Graph Neural Network with Invariant Local Descriptors Boyu Zhang Mushen Zhou Jianzhong Wu Fuchang Gao AI4CE 3DV 14 0 0 16 Feb 2021
ASAP: Adaptive Structure Aware Pooling for Learning Hierarchical Graph Representations Ekagra Ranjan Soumya Sanyal Partha P. Talukdar GNN 15 328 0 18 Nov 2019
Composition-based Multi-Relational Graph Convolutional Networks Shikhar Vashishth Soumya Sanyal Vikram Nitin Partha P. Talukdar GNN 22 812 0 08 Nov 2019
Geometric deep learning: going beyond Euclidean data M. Bronstein Joan Bruna Yann LeCun Arthur Szlam P. Vandergheynst GNN 247 3,236 0 24 Nov 2016