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"

50 / 125 papers shown

Title
Multi-Modal Molecular Representation Learning via Structure Awareness Rong Yin Ruyue Liu Xiaoshuai Hao Xingrui Zhou Yong-Jin Liu Can Ma Weiping Wang 29 0 0 09 May 2025
GraphPrompter: Multi-stage Adaptive Prompt Optimization for Graph In-Context Learning Rui Lv Zhenru Zhang Kai Zhang Qi Liu Weibo Gao Jing Liu Jiaxia Yan Linan Yue Fangzhou Yao 175 0 0 04 May 2025
LGIN: Defining an Approximately Powerful Hyperbolic GNN Srinitish Srinivasan Omkumar CU AI4CE 45 0 0 31 Mar 2025
AugWard: Augmentation-Aware Representation Learning for Accurate Graph Classification Minjun Kim Jaehyeon Choi SeungJoo Lee Jinhong Jung U. Kang OOD GNN 65 1 0 27 Mar 2025
Regulatory DNA sequence Design with Reinforcement Learning Zhao-Qing Yang Bing-Huang Su Chuan Cao Ji-Rong Wen 58 0 0 11 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 40 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 56 0 0 17 Jan 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 171 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 53 3 0 03 Jan 2025
Prompt-based Unifying Inference Attack on Graph Neural Networks Yuecen Wei Xingcheng Fu Lingyun Liu Qingyun Sun Hao Peng Chunming Hu AAML 79 0 0 20 Dec 2024
Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck Van Thuy Hoang O-Joun Lee AI4CE 82 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
Integrating Graph Neural Networks and Many-Body Expansion Theory for Potential Energy Surfaces Siqi Chen Zhiqiang Wang Xianqi Deng Yili Shen C. Ju ... Lin Xiong Guo Ling Dieaa Alhmoud Hui Guan Zhou Lin 34 0 0 03 Nov 2024
Pre-trained Molecular Language Models with Random Functional Group Masking Tianhao Peng Yuchen Li Xuhong Li Jiang Bian Zeke Xie Ning Sui Shahid Mumtaz Yanwu Xu L. Kong Haoyi Xiong AI4CE 43 0 0 03 Nov 2024
Pin-Tuning: Parameter-Efficient In-Context Tuning for Few-Shot Molecular Property Prediction Liang Wang Qiang Liu Shaozhen Liu Xin Sun Shu Wu Liang Wang 41 2 0 02 Nov 2024
LLaMo: Large Language Model-based Molecular Graph Assistant Jinyoung Park Minseong Bae Dohwan Ko Hyunwoo J. Kim 42 1 0 31 Oct 2024
Contextual Representation Anchor Network to Alleviate Selection Bias in Few-Shot Drug Discovery Ruifeng Li Wei Liu Xiangxin Zhou Mingqian Li Qiang Zhang Hongyang Chen Xuemin Lin 44 0 0 28 Oct 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 44 1 0 16 Oct 2024
Large-Scale Knowledge Integration for Enhanced Molecular Property Prediction Yasir Ghunaim Robert Hoehndorf AI4CE 24 0 0 15 Oct 2024
InstructBioMol: Advancing Biomolecule Understanding and Design Following Human Instructions Xiang Zhuang Keyan Ding Tianwen Lyu Yinuo Jiang Xiaotong Li ... Ming Qin Kehua Feng Jike Wang Qiang Zhang Huajun Chen 33 3 0 10 Oct 2024
FARM: Functional Group-Aware Representations for Small Molecules Thao Nguyen Kuan-Hao Huang Ge Liu Martin D. Burke Ying Diao Heng Ji 24 0 0 02 Oct 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
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 28 0 0 02 Sep 2024
Towards Graph Prompt Learning: A Survey and Beyond Qingqing Long Yuchen Yan Peiyan Zhang Chen Fang Wentao Cui ... Shiyue Jiang Zheng Fang Chong Chen Xian-Sheng Hua Yuanchun Zhou AI4CE 39 0 0 26 Aug 2024
Advancements in Molecular Property Prediction: A Survey of Single and Multimodal Approaches Tanya Liyaqat T. Ahmad Chandni Saxena 32 2 0 18 Aug 2024
Node Level Graph Autoencoder: Unified Pretraining for Textual Graph Learning Wenbin Hu Huihao Jing Qi Hu Haoran Li Yangqiu Song SSL AI4CE 42 0 0 09 Aug 2024
Pre-training with Fractional Denoising to Enhance Molecular Property Prediction Yuyan Ni Shikun Feng Xin Hong Yuancheng Sun Wei-Ying Ma Zhiming Ma Qiwei Ye Yanyan Lan AI4CE 36 10 0 14 Jul 2024
Foundations and Frontiers of Graph Learning Theory Yu Huang Min Zhou Menglin Yang Zhen Wang Muhan Zhang Jie Wang Hong Xie Hao Wang Defu Lian Enhong Chen AI4CE GNN 55 2 0 03 Jul 2024
MolFusion: Multimodal Fusion Learning for Molecular Representations via Multi-granularity Views Muzhen Cai Sendong Zhao Haochun Wang Yanrui Du Zewen Qiang Bing Qin Ting Liu 37 0 0 26 Jun 2024
Uni-Mol2: Exploring Molecular Pretraining Model at Scale Xiaohong Ji Zhen Wang Zhifeng Gao Hang Zheng Linfeng Zhang Guolin Ke Weinan E AI4CE 50 6 0 21 Jun 2024
HIGHT: Hierarchical Graph Tokenization for Graph-Language Alignment Yongqiang Chen Quanming Yao Juzheng Zhang James Cheng Yatao Bian 36 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 42 2 0 17 Jun 2024
Motif-driven Subgraph Structure Learning for Graph Classification Zhiyao Zhou Sheng Zhou Bochao Mao Jiawei Chen Qingyun Sun Yan Feng Chun-Yen Chen Can Wang 54 1 0 13 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
Ensemble Model With Bert,Roberta and Xlnet For Molecular property prediction Junling Hu 44 1 0 30 May 2024
Adapting Differential Molecular Representation with Hierarchical Prompts for Multi-label Property Prediction Linjia Kang Songhua Zhou Shuyan Fang Shichao Liu Wen Zhang AI4CE 52 3 0 29 May 2024
MAGE: Model-Level Graph Neural Networks Explanations via Motif-based Graph Generation Zhaoning Yu Hongyang Gao 47 3 0 21 May 2024
Delayed Bottlenecking: Alleviating Forgetting in Pre-trained Graph Neural Networks Zhe Zhao Pengkun Wang Xu Wang Haibin Wen Xiaolong Xie Zhengyang Zhou Qingfu Zhang Yang Wang AI4CE CLL 20 0 0 23 Apr 2024
HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target Interaction Prediction Bin Liu Siqi Wu Jin Wang Xin Deng Ao Zhou 19 0 0 16 Apr 2024
Harnessing the Power of Large Language Model for Uncertainty Aware Graph Processing Zhenyu Qian Yiming Qian Yuting Song Fei Gao Hai Jin Chen Yu Xia Xie 43 0 0 31 Mar 2024
ESM All-Atom: Multi-scale Protein Language Model for Unified Molecular Modeling Kangjie Zheng Siyu Long Tianyu Lu Junwei Yang Xinyu Dai Ming Zhang Zaiqing Nie Wei-Ying Ma Hao Zhou 41 5 0 05 Mar 2024
BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning Qizhi Pei Lijun Wu Kaiyuan Gao Xiaozhuan Liang Yin Fang Jinhua Zhu Shufang Xie Tao Qin Rui Yan AI4CE 51 30 0 27 Feb 2024
Pretraining Strategy for Neural Potentials Zehua Zhang Zijie Li A. Farimani AI4CE 44 0 0 24 Feb 2024
Graph Feature Preprocessor: Real-time Extraction of Subgraph-based Features from Transaction Graphs Jovan Blanusa Maximo Cravero Baraja Andreea Anghel Luc von Niederhäusern Erik Altman Haris Pozidis Kubilay Atasu 184 0 0 13 Feb 2024
A Graph is Worth $K$ Words: Euclideanizing Graph using Pure Transformer Zhangyang Gao Daize Dong Cheng Tan Jun Xia Bozhen Hu Stan Z. Li 46 6 0 04 Feb 2024
From Words to Molecules: A Survey of Large Language Models in Chemistry Chang Liao Yemin Yu Yu Mei Ying Wei 33 16 0 02 Feb 2024
MolPLA: A Molecular Pretraining Framework for Learning Cores, R-Groups and their Linker Joints Mogan Gim Jueon Park Soyon Park Sanghoon Lee Seungheun Baek Junhyun Lee Ngoc-Quang Nguyen Jaewoo Kang AI4CE 25 0 0 30 Jan 2024
Unifying Graph Contrastive Learning via Graph Message Augmentation Ziyan Zhang Bo Jiang Jin Tang Bin Luo 17 1 0 08 Jan 2024
MotifPiece: A Data-Driven Approach for Effective Motif Extraction and Molecular Representation Learning Zhaoning Yu Hongyang Gao 24 1 0 24 Dec 2023
Rethinking and Simplifying Bootstrapped Graph Latents Wangbin Sun Jintang Li Liang Chen Bingzhe Wu Yatao Bian Zibin Zheng 35 11 0 05 Dec 2023