Extreme Acceleration of Graph Neural Network-based Prediction Models for
Quantum Chemistry

Extreme Acceleration of Graph Neural Network-based Prediction Models for Quantum Chemistry

25 November 2022

Jenna A. Bilbrey

Sutanay Choudhury

Papers citing "Extreme Acceleration of Graph Neural Network-based Prediction Models for Quantum Chemistry"

7 / 7 papers shown

Title
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets Dominique Beaini Shenyang Huang Joao Alex Cunha Zhiyi Li Gabriela Moisescu-Pareja ... Thérence Bois Andrew Fitzgibbon Bla.zej Banaszewski Chad Martin Dominic Masters AI4CE 26 19 0 06 Oct 2023
BitGNN: Unleashing the Performance Potential of Binary Graph Neural Networks on GPUs Jou-An Chen Hsin-Hsuan Sung Xipeng Shen Sutanay Choudhury Ang Li GNN MQ 23 6 0 04 May 2023
PopSparse: Accelerated block sparse matrix multiplication on IPU Zhiyi Li Douglas Orr V. Ohan Godfrey Da Costa Tom Murray Adam Sanders D. Beker Dominic Masters 19 1 0 29 Mar 2023
Accelerating Training and Inference of Graph Neural Networks with Fast Sampling and Pipelining Tim Kaler Nickolas Stathas Anne Ouyang A. Iliopoulos Tao B. Schardl C. E. Leiserson Jie Chen GNN 68 52 0 16 Oct 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 190 1,229 0 08 Jan 2021
The Open Catalyst 2020 (OC20) Dataset and Community Challenges L. Chanussot Abhishek Das Siddharth Goyal Thibaut Lavril Muhammed Shuaibi ... Brandon M. Wood Junwoong Yoon Devi Parikh C. L. Zitnick Zachary W. Ulissi 221 498 0 20 Oct 2020
Deep Graph Library: A Graph-Centric, Highly-Performant Package for Graph Neural Networks Minjie Wang Da Zheng Zihao Ye Quan Gan Mufei Li ... J. Zhao Haotong Zhang Alex Smola Jinyang Li Zheng-Wei Zhang AI4CE GNN 189 743 0 03 Sep 2019