Motif-based Graph Self-Supervised Learning for Molecular Property Prediction

3 October 2021

Qi Liu

Papers citing "Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"

29 / 29 papers shown

Title
Multi-Modal Molecular Representation Learning via Structure Awareness Rong Yin Ruyue Liu Xiaoshuai Hao Xingrui Zhou Y. Liu Can Ma Weiping Wang 26 0 0 09 May 2025
GraphPrompter: Multi-stage Adaptive Prompt Optimization for Graph In-Context Learning Rui Lv Z. Zhang Kai Zhang Qi Liu Weibo Gao J. H. Liu Jiaxia Yan Linan Yue Fangzhou Yao 107 0 0 04 May 2025
LGIN: Defining an Approximately Powerful Hyperbolic GNN Srinitish Srinivasan Omkumar CU AI4CE 41 0 0 31 Mar 2025
Equivariant Masked Position Prediction for Efficient Molecular Representation Junyi An C. Qu Yun-Fei Shi XinHao Liu Qianwei Tang Fenglei Cao Yuan Qi 35 0 0 12 Feb 2025
Enhancing Graph Self-Supervised Learning with Graph Interplay Xinjian Zhao Wei Pang Xiangru Jian Yaoyao Xu Chaolong Ying Tianshu Yu 45 0 0 17 Jan 2025
Revisiting Graph Neural Networks on Graph-level Tasks: Comprehensive Experiments, Analysis, and Improvements Haoyang Li Y. Xu C. Zhang Alexander Zhou Lei Chen Qing Li AI4CE 112 0 0 03 Jan 2025
ChemDFM-X: Towards Large Multimodal Model for Chemistry Zihan Zhao B. Chen Jingpiao Li Lu Chen Liyang Wen ... Ziping Wan Yansi Li Zhongyang Dai Xin Chen Kai Yu AI4CE 45 3 0 03 Jan 2025
Exploring Hierarchical Molecular Graph Representation in Multimodal LLMs Chengxin Hu Hao Li Yihe Yuan Jing Li Ivor Tsang 39 0 0 07 Nov 2024
FragNet: A Graph Neural Network for Molecular Property Prediction with Four Layers of Interpretability G. Panapitiya Peiyuan Gao C Mark Maupin Emily Saldanha AI4CE 29 1 0 16 Oct 2024
MaskMol: Knowledge-guided Molecular Image Pre-Training Framework for Activity Cliffs Zhixiang Cheng Hongxin Xiang Pengsen Ma Li Zeng Xin Jin ... Yang Deng Bosheng Song Xinxin Feng Changhui Deng Xiangxiang Zeng 24 0 0 02 Sep 2024
MAGE: Model-Level Graph Neural Networks Explanations via Motif-based Graph Generation Zhaoning Yu Hongyang Gao 37 3 0 21 May 2024
Improving Self-supervised Molecular Representation Learning using Persistent Homology Yuankai Luo Lei Shi Veronika Thost SSL 22 8 0 29 Nov 2023
Identifying Semantic Component for Robust Molecular Property Prediction Zijian Li Zunhong Xu Ruichu Cai Zhenhui Yang Yuguang Yan Zhifeng Hao Guan-Hong Chen Kun Zhang 18 9 0 08 Nov 2023
Better with Less: A Data-Active Perspective on Pre-Training Graph Neural Networks Jiarong Xu Renhong Huang Xin Jiang Yuxuan Cao Carl Yang Chunping Wang Yang Yang AI4CE 31 14 0 02 Nov 2023
SGOOD: Substructure-enhanced Graph-Level Out-of-Distribution Detection Zhihao Ding Jieming Shi Shiqi Shen Xuequn Shang Jiannong Cao Zhipeng Wang Zhi Gong OODD OOD 32 4 0 16 Oct 2023
AdaptSSR: Pre-training User Model with Augmentation-Adaptive Self-Supervised Ranking Yang Yu Qi Liu Kai Zhang Yuren Zhang Chao Song Min Hou Yuqing Yuan Zhihao Ye Zaixin Zhang Sanshi Lei Yu 30 2 0 15 Oct 2023
Motif-aware Attribute Masking for Molecular Graph Pre-training Eric Inae Gang Liu Meng-Long Jiang AI4CE 40 14 0 08 Sep 2023
Fractional Denoising for 3D Molecular Pre-training Shi Feng Yuyan Ni Yanyan Lan Zhiming Ma Wei-Ying Ma DiffM AI4CE 38 25 0 20 Jul 2023
Atomic and Subgraph-aware Bilateral Aggregation for Molecular Representation Learning Jiahao Chen Yurou Liu Jiangmeng Li Bing-Huang Su Jirong Wen 16 0 0 22 May 2023
MolXPT: Wrapping Molecules with Text for Generative Pre-training Zequn Liu Wei Zhang Yingce Xia Lijun Wu Shufang Xie Tao Qin M. Zhang Tie-Yan Liu 16 66 0 18 May 2023
A Comprehensive Survey on Deep Graph Representation Learning Wei Ju Zheng Fang Yiyang Gu Zequn Liu Qingqing Long ... Jingyang Yuan Yusheng Zhao Yifan Wang Xiao Luo Ming Zhang GNN AI4TS 25 141 0 11 Apr 2023
InstructBio: A Large-scale Semi-supervised Learning Paradigm for Biochemical Problems Fang Wu Huiling Qin Siyuan Li Stan Z. Li Xianyuan Zhan Jinbo Xu 11 5 0 08 Apr 2023
Federated Graph Machine Learning: A Survey of Concepts, Techniques, and Applications Xingbo Fu Binchi Zhang Yushun Dong Chen Chen Jundong Li FedML OOD AI4CE 21 35 0 24 Jul 2022
Tyger: Task-Type-Generic Active Learning for Molecular Property Prediction Kuangqi Zhou Kaixin Wang Jiashi Feng Jian Tang Tingyang Xu Xinchao Wang 19 1 0 23 May 2022
Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast Yuyang Wang Rishikesh Magar Chen Liang A. Farimani 38 78 0 18 Feb 2022
A Survey of Pretraining on Graphs: Taxonomy, Methods, and Applications Jun-Xiong Xia Yanqiao Zhu Yuanqi Du Stan Z. Li VLM 30 41 0 16 Feb 2022
Large-Scale Chemical Language Representations Capture Molecular Structure and Properties Jerret Ross Brian M. Belgodere Vijil Chenthamarakshan Inkit Padhi Youssef Mroueh Payel Das AI4CE 19 271 0 17 Jun 2021
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 219 1,332 0 12 Feb 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 162 1,775 0 02 Mar 2017