Strategies for Pre-training Graph Neural Networks

29 May 2019

Papers citing "Strategies for Pre-training Graph Neural Networks"

50 / 300 papers shown

Title
Scalable Geometric Deep Learning on Molecular Graphs Nathan C. Frey S. Samsi Joseph McDonald Lin Li Connor W. Coley V. Gadepally GNN AI4CE 32 4 0 06 Dec 2021
A Multi-Strategy based Pre-Training Method for Cold-Start Recommendation Bowen Hao Hongzhi Yin Jing Zhang Cuiping Li Hong Chen 35 22 0 04 Dec 2021
Node-wise Hardware Trojan Detection Based on Graph Learning Kento Hasegawa Kazuki Yamashita Seira Hidano Kazuhide Fukushima Kazuo Hashimoto N. Togawa 25 26 0 04 Dec 2021
Molecular Contrastive Learning with Chemical Element Knowledge Graph Yin Fang Qiang Zhang Haihong Yang Xiang Zhuang Shumin Deng Wen Zhang Minghai Qin Zhuo Chen Xiaohui Fan Huajun Chen 15 109 0 01 Dec 2021
AugLiChem: Data Augmentation Library of Chemical Structures for Machine Learning Rishikesh Magar Yuyang Wang Cooper Lorsung Chen Liang Hariharan Ramasubramanian Peiyuan Li A. Farimani 28 28 0 30 Nov 2021
DropGNN: Random Dropouts Increase the Expressiveness of Graph Neural Networks Pál András Papp Karolis Martinkus Lukas Faber Roger Wattenhofer GNN 28 139 0 11 Nov 2021
Pairwise Half-graph Discrimination: A Simple Graph-level Self-supervised Strategy for Pre-training Graph Neural Networks Pengyong Li Jun Wang Ziliang Li Yixuan Qiao Xianggen Liu Fei Ma Peng Gao Sen Song Guowang Xie SSL 31 16 0 26 Oct 2021
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction Zhengkai Tu Connor W. Coley 30 90 0 19 Oct 2021
Self-Supervised Representation Learning: Introduction, Advances and Challenges Linus Ericsson Henry Gouk Chen Change Loy Timothy M. Hospedales SSL OOD AI4TS 37 274 0 18 Oct 2021
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 70 53 0 16 Oct 2021
Relative Molecule Self-Attention Transformer Lukasz Maziarka Dawid Majchrowski Tomasz Danel Piotr Gaiñski Jacek Tabor Igor T. Podolak Pawel M. Morkisz Stanislaw Jastrzebski MedIm 45 34 0 12 Oct 2021
3D Infomax improves GNNs for Molecular Property Prediction Hannes Stärk Dominique Beaini Gabriele Corso Prudencio Tossou Christian Dallago Stephan Günnemann Pietro Lio AI4CE 39 204 0 08 Oct 2021
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 126 304 0 07 Oct 2021
Weakly-supervised Text Classification Based on Keyword Graph Lu Zhang Jiandong Ding Yi Xu Yingyao Liu Shuigeng Zhou OffRL OOD 44 56 0 06 Oct 2021
Motif-based Graph Self-Supervised Learning for Molecular Property Prediction Zaixin Zhang Qi Liu Hao Wang Chengqiang Lu Chee-Kong Lee SSL AI4CE 46 251 0 03 Oct 2021
AutoGCL: Automated Graph Contrastive Learning via Learnable View Generators Yihang Yin Qingzhong Wang Siyu Huang Haoyi Xiong Xiang Zhang 56 145 0 21 Sep 2021
Releasing Graph Neural Networks with Differential Privacy Guarantees Iyiola E. Olatunji Thorben Funke Megha Khosla 42 45 0 18 Sep 2021
Self-Training with Differentiable Teacher Simiao Zuo Yue Yu Chen Liang Haoming Jiang Siawpeng Er Chao Zhang T. Zhao H. Zha 46 14 0 15 Sep 2021
X-GOAL: Multiplex Heterogeneous Graph Prototypical Contrastive Learning Baoyu Jing Shengyu Feng Yuejia Xiang Xi Chen Yu Chen Hanghang Tong 41 28 0 08 Sep 2021
Fine-Grained Chemical Entity Typing with Multimodal Knowledge Representation Chenkai Sun Weijian Li Jinfeng Xiao Nikolaus Nova Parulian ChengXiang Zhai Heng Ji 44 4 0 29 Aug 2021
A Framework for Learning Ante-hoc Explainable Models via Concepts Anirban Sarkar Deepak Vijaykeerthy Anindya Sarkar V. Balasubramanian LRM BDL 22 46 0 25 Aug 2021
Graph Neural Networks: Methods, Applications, and Opportunities Lilapati Waikhom Ripon Patgiri GNN 37 42 0 24 Aug 2021
Generative and Contrastive Self-Supervised Learning for Graph Anomaly Detection Yu Zheng Ming Jin Yixin Liu Lianhua Chi K. Phan Yi-Ping Phoebe Chen 22 122 0 23 Aug 2021
A Hard Label Black-box Adversarial Attack Against Graph Neural Networks Jiaming Mu Binghui Wang Qi Li Kun Sun Mingwei Xu Zhuotao Liu AAML 23 34 0 21 Aug 2021
Shift-Robust GNNs: Overcoming the Limitations of Localized Graph Training Data Qi Zhu Natalia Ponomareva Jiawei Han Bryan Perozzi OOD 30 106 0 02 Aug 2021
BadEncoder: Backdoor Attacks to Pre-trained Encoders in Self-Supervised Learning Jinyuan Jia Yupei Liu Neil Zhenqiang Gong SILM SSL 42 152 0 01 Aug 2021
Large-scale graph representation learning with very deep GNNs and self-supervision Ravichandra Addanki Peter W. Battaglia David Budden Andreea Deac Jonathan Godwin ... Wai Lok Sibon Li Alvaro Sanchez-Gonzalez Jacklynn Stott S. Thakoor Petar Velivcković SSL AI4CE 27 25 0 20 Jul 2021
Adaptive Transfer Learning on Graph Neural Networks Xueting Han Zhenhuan Huang Bang An Jing Bai 30 59 0 19 Jul 2021
Property-Aware Relation Networks for Few-Shot Molecular Property Prediction Yaqing Wang Abulikemu Abuduweili Quanming Yao Dejing Dou 42 68 0 16 Jul 2021
Joint Embedding of Structural and Functional Brain Networks with Graph Neural Networks for Mental Illness Diagnosis Yanqiao Zhu Hejie Cui Lifang He Lichao Sun Carl Yang 28 38 0 07 Jul 2021
Molecule Generation by Principal Subgraph Mining and Assembling Xiangzhe Kong Wenbing Huang Zhixing Tan Yang Liu GNN 23 45 0 29 Jun 2021
DGL-LifeSci: An Open-Source Toolkit for Deep Learning on Graphs in Life Science Mufei Li Jinjing Zhou Jiajing Hu Wenxuan Fan Yangkang Zhang Yaxin Gu George Karypis GNN AI4CE 33 160 0 27 Jun 2021
Graph Context Encoder: Graph Feature Inpainting for Graph Generation and Self-supervised Pretraining Oriel Frigo Rémy Brossard David Dehaene 37 1 0 18 Jun 2021
Prototypical Graph Contrastive Learning Shuai Lin Pan Zhou Zi-Yuan Hu Shuojia Wang Ruihui Zhao Yefeng Zheng Liang Lin Eric Xing Xiaodan Liang 24 86 0 17 Jun 2021
Large-Scale Chemical Language Representations Capture Molecular Structure and Properties Jerret Ross Brian M. Belgodere Vijil Chenthamarakshan Inkit Padhi Youssef Mroueh Payel Das AI4CE 32 274 0 17 Jun 2021
Dual-view Molecule Pre-training Jinhua Zhu Yingce Xia Tao Qin Wen-gang Zhou Houqiang Li Tie-Yan Liu AI4CE 27 51 0 17 Jun 2021
Simple GNN Regularisation for 3D Molecular Property Prediction & Beyond Jonathan Godwin Michael Schaarschmidt Alex Gaunt Alvaro Sanchez-Gonzalez Yulia Rubanova Petar Velivcković J. Kirkpatrick Peter W. Battaglia 41 60 0 15 Jun 2021
Graph Contrastive Learning Automated Yuning You Tianlong Chen Yang Shen Zhangyang Wang 24 451 0 10 Jun 2021
Automated Self-Supervised Learning for Graphs Wei Jin Xiaorui Liu Xiangyu Zhao Yao Ma Neil Shah Jiliang Tang SSL 29 76 0 10 Jun 2021
Artificial Intelligence in Drug Discovery: Applications and Techniques Jianyuan Deng Zhibo Yang Iwao Ojima Dimitris Samaras Fusheng Wang AI4TS 42 100 0 09 Jun 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 48 436 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 24 115 0 05 Jun 2021
Self-supervised Heterogeneous Graph Neural Network with Co-contrastive Learning Xiao Wang Nian Liu Hui-jun Han C. Shi SSL 20 376 0 19 May 2021
Self-supervised Learning on Graphs: Contrastive, Generative,or Predictive Lirong Wu Haitao Lin Zhangyang Gao Cheng Tan Stan.Z.Li SSL 35 241 0 16 May 2021
An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming Minkai Xu Wujie Wang Shitong Luo Chence Shi Yoshua Bengio Rafael Gómez-Bombarelli Jian Tang 3DV 42 78 0 15 May 2021
Learning Gradient Fields for Molecular Conformation Generation Chence Shi Shitong Luo Minkai Xu Jian Tang DiffM AI4CE 36 212 0 09 May 2021
Stochastic Optimization of Areas Under Precision-Recall Curves with Provable Convergence Qi Qi Youzhi Luo Zhao Xu Shuiwang Ji Tianbao Yang 18 59 0 18 Apr 2021
Graph Classification by Mixture of Diverse Experts Fenyu Hu Liping Wang Shu Wu Liang Wang Tieniu Tan 42 10 0 29 Mar 2021
MARS: Markov Molecular Sampling for Multi-objective Drug Discovery Yutong Xie Chence Shi Hao Zhou Yuwei Yang Weinan Zhang Yong Yu Lei Li 30 138 0 18 Mar 2021
Structure-Enhanced Meta-Learning For Few-Shot Graph Classification Shunyu Jiang Fuli Feng Weijia Chen Xiang Li Xiangnan He 27 18 0 05 Mar 2021