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Motif-aware Attribute Masking for Molecular Graph Pre-training
LOG IN (LOG IN), 2023
8 September 2023
Eric Inae
Gang Liu
Meng Jiang
AI4CE
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Papers citing
"Motif-aware Attribute Masking for Molecular Graph Pre-training"
37 / 37 papers shown
Pre-training Graph Neural Networks on 2D and 3D Molecular Structures by using Multi-View Conditional Information Bottleneck
Van Thuy Hoang
O-Joun Lee
73
0
0
23 Nov 2025
ProtoMol: Enhancing Molecular Property Prediction via Prototype-Guided Multimodal Learning
Yingxu Wang
Kunyu Zhang
Jiaxin Huang
Nan Yin
Siwei Liu
Eran Segal
152
2
0
19 Oct 2025
Equivariant Masked Position Prediction for Efficient Molecular Representation
International Conference on Learning Representations (ICLR), 2025
Junyi An
Chao Qu
Yun-Fei Shi
XinHao Liu
Qianwei Tang
Fenglei Cao
Yuan Qi
263
1
0
12 Feb 2025
Revisiting Graph Neural Networks on Graph-level Tasks: Comprehensive Experiments, Analysis, and Improvements
Haoyang Li
Yongjun Xu
C. Zhang
Alexander Zhou
Lei Chen
Qing Li
AI4CE
741
0
0
03 Jan 2025
Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck
AAAI Conference on Artificial Intelligence (AAAI), 2024
Van Thuy Hoang
O-Joun Lee
AI4CE
297
8
0
20 Dec 2024
Exploring Hierarchical Molecular Graph Representation in Multimodal LLMs
Chengxin Hu
Hao Li
Yihe Yuan
Jing Li
Ivor Tsang
416
6
0
07 Nov 2024
Molecular Graph Representation Learning via Structural Similarity Information
Chengyu Yao
Hong Huang
Hang Gao
Fengge Wu
Haiming Chen
Junsuo Zhao
193
2
0
13 Sep 2024
TDNetGen: Empowering Complex Network Resilience Prediction with Generative Augmentation of Topology and Dynamics
Knowledge Discovery and Data Mining (KDD), 2024
Chang Liu
Jingtao Ding
Yiwen Song
Yong Li
AI4CE
171
7
0
19 Aug 2024
HIGHT: Hierarchical Graph Tokenization for Molecule-Language Alignment
Yongqiang Chen
Quanming Yao
Juzheng Zhang
James Cheng
Yatao Bian
325
4
0
20 Jun 2024
Learning Molecular Representation in a Cell
Gang Liu
Srijit Seal
John Arevalo
Zhenwen Liang
Anne E Carpenter
Meng Jiang
Shantanu Singh
313
11
0
17 Jun 2024
Expressivity and Generalization: Fragment-Biases for Molecular GNNs
Tom Wollschlager
Niklas Kemper
Leon Hetzel
Johanna Sommer
Stephan Günnemann
310
10
0
12 Jun 2024
Where to Mask: Structure-Guided Masking for Graph Masked Autoencoders
Chuang Liu
Yuyao Wang
Yibing Zhan
Xueqi Ma
Dapeng Tao
Hongzhi Zhang
Wenbin Hu
218
12
0
24 Apr 2024
Data-Centric Learning from Unlabeled Graphs with Diffusion Model
Neural Information Processing Systems (NeurIPS), 2023
Gang Liu
Eric Inae
Tong Zhao
Jiaxin Xu
Te Luo
Meng Jiang
DiffM
206
30
0
17 Mar 2023
De Novo Molecular Generation via Connection-aware Motif Mining
International Conference on Learning Representations (ICLR), 2023
Zijie Geng
Shufang Xie
Ziheng Lu
Lijun Wu
Tao Qin
Jie Wang
Yongdong Zhang
Feng Wu
Tie-Yan Liu
288
47
0
02 Feb 2023
Motif-based Graph Representation Learning with Application to Chemical Molecules
Yifei Wang
Shiyang Chen
Guobin Chen
Ethan Shurberg
Hang Liu
Pengyu Hong
GNN
117
19
0
09 Aug 2022
A Survey on Masked Autoencoder for Self-supervised Learning in Vision and Beyond
Chaoning Zhang
Chenshuang Zhang
Junha Song
John Seon Keun Yi
Kang Zhang
In So Kweon
SSL
225
94
0
30 Jul 2022
Neo-GNNs: Neighborhood Overlap-aware Graph Neural Networks for Link Prediction
Neural Information Processing Systems (NeurIPS), 2022
Seongjun Yun
Seoyoon Kim
Junhyun Lee
Jaewoo Kang
Hyunwoo J. Kim
GNN
166
154
0
09 Jun 2022
GraphMAE: Self-Supervised Masked Graph Autoencoders
Knowledge Discovery and Data Mining (KDD), 2022
Zhenyu Hou
Xiao Liu
Yukuo Cen
Yuxiao Dong
Hongxia Yang
C. Wang
Jie Tang
SSL
630
752
0
22 May 2022
A Survey of Pretraining on Graphs: Taxonomy, Methods, and Applications
Jun Xia
Yanqiao Zhu
Yuanqi Du
Stan Z. Li
VLM
148
42
0
16 Feb 2022
Graph Self-supervised Learning with Accurate Discrepancy Learning
Neural Information Processing Systems (NeurIPS), 2022
Dongki Kim
Jinheon Baek
Sung Ju Hwang
SSL
454
42
0
07 Feb 2022
Masked Autoencoders Are Scalable Vision Learners
Computer Vision and Pattern Recognition (CVPR), 2021
Kaiming He
Xinlei Chen
Saining Xie
Yanghao Li
Piotr Dollár
Ross B. Girshick
ViT
TPM
2.5K
10,037
0
11 Nov 2021
Motif-based Graph Self-Supervised Learning for Molecular Property Prediction
Zaixin Zhang
Qi Liu
Hao Wang
Chengqiang Lu
Chee-Kong Lee
SSL
AI4CE
224
316
0
03 Oct 2021
An Empirical Study of Graph Contrastive Learning
Yanqiao Zhu
Yichen Xu
Qiang Liu
Shu Wu
279
204
0
02 Sep 2021
Graph Contrastive Learning Automated
International Conference on Machine Learning (ICML), 2021
Yuning You
Tianlong Chen
Yang Shen
Zinan Lin
298
575
0
10 Jun 2021
Self-supervised Graph-level Representation Learning with Local and Global Structure
International Conference on Machine Learning (ICML), 2021
Minghao Xu
Hang Wang
Bingbing Ni
Ziqiao Wang
Jian Tang
SSL
191
242
0
08 Jun 2021
MoCL: Data-driven Molecular Fingerprint via Knowledge-aware Contrastive Learning from Molecular Graph
Knowledge Discovery and Data Mining (KDD), 2021
Mengying Sun
Jing Xing
Huijun Wang
Bin Chen
Jiayu Zhou
270
143
0
05 Jun 2021
GPT-GNN: Generative Pre-Training of Graph Neural Networks
Ziniu Hu
Yuxiao Dong
Kuansan Wang
Kai-Wei Chang
Luke Huan
SSL
AI4CE
301
639
0
27 Jun 2020
On the Bottleneck of Graph Neural Networks and its Practical Implications
Uri Alon
Eran Yahav
GNN
585
854
0
09 Jun 2020
Symmetric Graph Convolutional Autoencoder for Unsupervised Graph Representation Learning
IEEE International Conference on Computer Vision (ICCV), 2019
Jiwoong Park
Minsik Lee
H. Chang
Kyuewang Lee
J. Choi
SSL
266
266
0
07 Aug 2019
Strategies for Pre-training Graph Neural Networks
International Conference on Learning Representations (ICLR), 2019
Weihua Hu
Bowen Liu
Joseph Gomes
Marinka Zitnik
Abigail Z. Jacobs
Vijay S. Pande
J. Leskovec
SSL
AI4CE
416
1,642
0
29 May 2019
Graph Attention Auto-Encoders
IEEE International Conference on Tools with Artificial Intelligence (ICTAI), 2019
Amin Salehi
H. Davulcu
GNN
97
153
0
26 May 2019
Discovering Molecular Functional Groups Using Graph Convolutional Neural Networks
Phillip E. Pope
Soheil Kolouri
Mohammad Rostami
Charles E. Martin
Heiko Hoffmann
GNN
389
16
0
01 Dec 2018
BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding
Jacob Devlin
Ming-Wei Chang
Kenton Lee
Kristina Toutanova
VLM
SSL
SSeg
2.9K
108,326
0
11 Oct 2018
How Powerful are Graph Neural Networks?
Keyulu Xu
Weihua Hu
J. Leskovec
Stefanie Jegelka
GNN
874
8,996
0
01 Oct 2018
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
1.0K
2,176
0
02 Mar 2017
Variational Graph Auto-Encoders
Thomas Kipf
Max Welling
GNN
BDL
SSL
CML
493
4,096
0
21 Nov 2016
MADE: Masked Autoencoder for Distribution Estimation
M. Germain
Karol Gregor
Iain Murray
Hugo Larochelle
OOD
SyDa
UQCV
421
919
0
12 Feb 2015
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