Motif-aware Attribute Masking for Molecular Graph Pre-training

Motif-aware Attribute Masking for Molecular Graph Pre-training

8 September 2023

Meng-Long Jiang

Papers citing "Motif-aware Attribute Masking for Molecular Graph Pre-training"

13 / 13 papers shown

Title
Equivariant Masked Position Prediction for Efficient Molecular Representation Junyi An C. Qu Yun-Fei Shi XinHao Liu Qianwei Tang Fenglei Cao Yuan Qi 40 0 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 153 0 0 03 Jan 2025
Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck Van Thuy Hoang O-Joun Lee AI4CE 80 1 0 20 Dec 2024
Exploring Hierarchical Molecular Graph Representation in Multimodal LLMs Chengxin Hu Hao Li Yihe Yuan Jing Li Ivor Tsang 46 0 0 07 Nov 2024
Molecular Graph Representation Learning via Structural Similarity Information Chengyu Yao Hong Huang Hang Gao Fengge Wu Haiming Chen Junsuo Zhao 26 0 0 13 Sep 2024
TDNetGen: Empowering Complex Network Resilience Prediction with Generative Augmentation of Topology and Dynamics Chang Liu Jingtao Ding Yiwen Song Yong Li AI4CE 31 3 0 19 Aug 2024
HIGHT: Hierarchical Graph Tokenization for Graph-Language Alignment Yongqiang Chen Quanming Yao Juzheng Zhang James Cheng Yatao Bian 35 4 0 20 Jun 2024
Learning Molecular Representation in a Cell Gang Liu Srijit Seal John Arevalo Zhenwen Liang Anne E Carpenter Meng-Long Jiang Shantanu Singh 42 2 0 17 Jun 2024
Expressivity and Generalization: Fragment-Biases for Molecular GNNs Tom Wollschlager Niklas Kemper Leon Hetzel Johanna Sommer Stephan Günnemann 48 4 0 12 Jun 2024
Where to Mask: Structure-Guided Masking for Graph Masked Autoencoders Chuang Liu Yuyao Wang Yibing Zhan Xueqi Ma Dapeng Tao Jia Wu Wenbin Hu 51 4 0 24 Apr 2024
Data-Centric Learning from Unlabeled Graphs with Diffusion Model Gang Liu Eric Inae Tong Zhao Jiaxin Xu Te Luo Meng-Long Jiang DiffM 31 23 0 17 Mar 2023
Masked Autoencoders Are Scalable Vision Learners Kaiming He Xinlei Chen Saining Xie Yanghao Li Piotr Dollár Ross B. Girshick ViT TPM 305 7,443 0 11 Nov 2021
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 172 1,778 0 02 Mar 2017