Does GNN Pretraining Help Molecular Representation?

13 July 2022

Papers citing "Does GNN Pretraining Help Molecular Representation?"

26 / 26 papers shown

Title
DELTA: Dual Consistency Delving with Topological Uncertainty for Active Graph Domain Adaptation Pengyun Wang Yadi Cao Chris Russell Yanxin Shen Junyu Luo Ming Zhang Siyu Heng Zhiyuan Ning 66 1 0 13 Sep 2024
MAGE: Model-Level Graph Neural Networks Explanations via Motif-based Graph Generation Zhaoning Yu Hongyang Gao 77 3 0 21 May 2024
Pure Transformers are Powerful Graph Learners Jinwoo Kim Tien Dat Nguyen Seonwoo Min Sungjun Cho Moontae Lee Honglak Lee Seunghoon Hong 79 200 0 06 Jul 2022
SimGRACE: A Simple Framework for Graph Contrastive Learning without Data Augmentation Jun Xia Lirong Wu Jintao Chen Bozhen Hu Stan Z. Li 50 291 0 07 Feb 2022
Structure-Aware Transformer for Graph Representation Learning Dexiong Chen Leslie O’Bray Karsten Borgwardt 73 250 0 07 Feb 2022
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 164 316 0 07 Oct 2021
Finetuned Language Models Are Zero-Shot Learners Jason W. Wei Maarten Bosma Vincent Zhao Kelvin Guu Adams Wei Yu Brian Lester Nan Du Andrew M. Dai Quoc V. Le ALM UQCV 122 3,742 0 03 Sep 2021
Do Transformers Really Perform Bad for Graph Representation? Chengxuan Ying Tianle Cai Shengjie Luo Shuxin Zheng Guolin Ke Di He Yanming Shen Tie-Yan Liu GNN 90 441 0 09 Jun 2021
MoCL: Data-driven Molecular Fingerprint via Knowledge-aware Contrastive Learning from Molecular Graph Mengying Sun Jing Xing Huijun Wang Bin Chen Jiayu Zhou 110 118 0 05 Jun 2021
Self-Supervised Learning of Graph Neural Networks: A Unified Review Yaochen Xie Zhao Xu Jingtun Zhang Zhengyang Wang Shuiwang Ji SSL 76 333 0 22 Feb 2021
Graph Contrastive Learning with Adaptive Augmentation Yanqiao Zhu Yichen Xu Feng Yu Qiang Liu Shu Wu Liang Wang 81 1,107 0 27 Oct 2020
Towards Deeper Graph Neural Networks Meng Liu Hongyang Gao Shuiwang Ji GNN AI4CE 95 605 0 18 Jul 2020
GPT-GNN: Generative Pre-Training of Graph Neural Networks Ziniu Hu Yuxiao Dong Kuansan Wang Kai-Wei Chang Yizhou Sun SSL AI4CE 150 561 0 27 Jun 2020
Contrastive Multi-View Representation Learning on Graphs Kaveh Hassani Amir Hosein Khas Ahmadi SSL 219 1,301 0 10 Jun 2020
Language Models are Few-Shot Learners Tom B. Brown Benjamin Mann Nick Ryder Melanie Subbiah Jared Kaplan ... Christopher Berner Sam McCandlish Alec Radford Ilya Sutskever Dario Amodei BDL 721 41,894 0 28 May 2020
A Simple Framework for Contrastive Learning of Visual Representations Ting-Li Chen Simon Kornblith Mohammad Norouzi Geoffrey E. Hinton SSL 345 18,739 0 13 Feb 2020
Momentum Contrast for Unsupervised Visual Representation Learning Kaiming He Haoqi Fan Yuxin Wu Saining Xie Ross B. Girshick SSL 185 12,073 0 13 Nov 2019
Exploring the Limits of Transfer Learning with a Unified Text-to-Text Transformer Colin Raffel Noam M. Shazeer Adam Roberts Katherine Lee Sharan Narang Michael Matena Yanqi Zhou Wei Li Peter J. Liu AIMat 399 20,114 0 23 Oct 2019
Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models Guangyong Chen Pengfei Chen Chang-Yu Hsieh Chee-Kong Lee B. Liao ... J. Qiu Qiming Sun Jie Tang R. Zemel Shengyu Zhang 52 76 0 22 Jun 2019
Strategies for Pre-training Graph Neural Networks Weihua Hu Bowen Liu Joseph Gomes Marinka Zitnik Percy Liang Vijay S. Pande J. Leskovec SSL AI4CE 108 1,401 0 29 May 2019
BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding Jacob Devlin Ming-Wei Chang Kenton Lee Kristina Toutanova VLM SSL SSeg 1.7K 94,729 0 11 Oct 2018
How Powerful are Graph Neural Networks? Keyulu Xu Weihua Hu J. Leskovec Stefanie Jegelka GNN 232 7,638 0 01 Oct 2018
Graph Attention Networks Petar Velickovic Guillem Cucurull Arantxa Casanova Adriana Romero Pietro Lio Yoshua Bengio GNN 454 20,124 0 30 Oct 2017
Representation Learning on Graphs: Methods and Applications William L. Hamilton Rex Ying J. Leskovec GNN 169 1,976 0 17 Sep 2017
Model-Agnostic Meta-Learning for Fast Adaptation of Deep Networks Chelsea Finn Pieter Abbeel Sergey Levine OOD 811 11,894 0 09 Mar 2017
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 326 1,826 0 02 Mar 2017