Strategies for Pre-training Graph Neural Networks

29 May 2019

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

50 / 300 papers shown

Title
SenseFlow: A Physics-Informed and Self-Ensembling Iterative Framework for Power Flow Estimation Zhen Zhao Wenqi Huang Zicheng Wang Jiaxuan Hou Peng Li Lei Bai 17 0 0 18 May 2025
AdaptMol: Adaptive Fusion from Sequence String to Topological Structure for Few-shot Drug Discovery Yifan Dai Xuanbai Ren Tengfei Ma Qipeng Yan Yiping Liu Yuansheng Liu Xiangxiang Zeng 27 0 0 17 May 2025
Multi-Modal Molecular Representation Learning via Structure Awareness Rong Yin Ruyue Liu Xiaoshuai Hao Xingrui Zhou Yong-Jin Liu Can Ma Weiping Wang 31 0 0 09 May 2025
Vision Graph Prompting via Semantic Low-Rank Decomposition Zixiang Ai Zichen Liu Jiahuan Zhou 58 0 0 07 May 2025
HMAE: Self-Supervised Few-Shot Learning for Quantum Spin Systems Ibne Farabi Shihab Sanjeda Akter Anuj Sharma 43 0 0 06 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 214 0 0 04 May 2025
Evaluating Effects of Augmented SELFIES for Molecular Understanding Using QK-LSTM Collin Beaudoin Swaroop Ghosh 51 0 0 29 Apr 2025
NaFM: Pre-training a Foundation Model for Small-Molecule Natural Products Yuheng Ding Bo Qiang Yiran Zhou Jie Yu Qi Li Liangren Zhang Yusong Wang Zhenmin Liu 243 0 0 22 Mar 2025
Beyond Atoms: Enhancing Molecular Pretrained Representations with 3D Space Modeling Shuqi Lu Xiaohong Ji Bohang Zhang Lin Yao Siyuan Liu Zhifeng Gao Linfeng Zhang Guolin Ke AI4CE 53 1 0 13 Mar 2025
Bridging Molecular Graphs and Large Language Models Runze Wang Mingqi Yang Yanming Shen 74 0 0 05 Mar 2025
Pre-training Graph Neural Networks with Structural Fingerprints for Materials Discovery Shuyi Jia Shitij Govil Manav Ramprasad Victor Fung AI4CE 67 1 0 03 Mar 2025
Edge Prompt Tuning for Graph Neural Networks Xingbo Fu Yinhan He Jundong Li 52 1 0 02 Mar 2025
NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation Zhiyuan Liu Yanchen Luo Han Huang Enzhi Zhang Sihang Li Sihang Li Yaorui Shi Xuben Wang Kenji Kawaguchi Tat-Seng Chua 102 3 0 18 Feb 2025
Equivariant Masked Position Prediction for Efficient Molecular Representation Junyi An Chao Qu Yun-Fei Shi XinHao Liu Qianwei Tang Fenglei Cao Yuan Qi 45 0 0 12 Feb 2025
FlashVideo: Flowing Fidelity to Detail for Efficient High-Resolution Video Generation Shilong Zhang Wenbo Li Shoufa Chen Chongjian Ge Peize Sun Yunke Zhang Yi-Xin Jiang Zehuan Yuan Binyue Peng Ping Luo DiffM VGen 105 3 0 07 Feb 2025
Enhancing Unsupervised Graph Few-shot Learning via Set Functions and Optimal Transport Yuqi Liu Fausto Giunchiglia Ximing Li Lan Huang Xiaoyue Feng Renchu Guan OffRL 195 0 0 10 Jan 2025
PyG-SSL: A Graph Self-Supervised Learning Toolkit Lecheng Zheng Baoyu Jing Zihao Li Zhichen Zeng Tianxin Wei ... Lihui Liu Dongqi Fu Jiaxuan You Hanghang Tong Jingrui He 62 6 0 31 Dec 2024
DCOR: Anomaly Detection in Attributed Networks via Dual Contrastive Learning Reconstruction Hossein Rafiee Zade Hadi Zare Mohsen Ghassemi Parsa Hadi Davardoust Meshkat Shariat Bagheri 81 1 0 21 Dec 2024
MOL-Mamba: Enhancing Molecular Representation with Structural & Electronic Insights Jingjing Hu D. Guo Zhan Si Deguang Liu Yunfeng Diao Jingyang Zhang Jinxing Zhou Meng Wang Mamba 117 1 0 21 Dec 2024
Towards Graph Foundation Models: A Study on the Generalization of Positional and Structural Encodings Billy Joe Franks Moshe Eliasof Semih Cantürk Guy Wolf Carola-Bibiane Schönlieb Sophie Fellenz Marius Kloft AI4CE 95 1 0 10 Dec 2024
MolParser: End-to-end Visual Recognition of Molecule Structures in the Wild Xi Fang Jiankun Wang X. Cai Shangqian Chen Shuwen Yang Lin Yao Linfeng Zhang Guolin Ke Linfeng Zhang Guolin Ke 55 1 0 17 Nov 2024
MEG: Medical Knowledge-Augmented Large Language Models for Question Answering Laura Cabello Carmen Martin-Turrero Uchenna Akujuobi Anders Søgaard Carlos Bobed AI4MH 181 1 0 06 Nov 2024
Multi-view biomedical foundation models for molecule-target and property prediction Parthasarathy Suryanarayanan Yunguang Qiu Shreyans Sethi Diwakar Mahajan Hongyang Li ... Bum Chul Kwon Pablo Meyer Feixiong Cheng Jianying Hu Joseph A. Morrone AI4CE 43 0 0 25 Oct 2024
A Survey of Deep Graph Learning under Distribution Shifts: from Graph Out-of-Distribution Generalization to Adaptation Kexin Zhang Shuhan Liu Song Wang Weili Shi Chen Chen Pan Li Sheng Li Jundong Li Kaize Ding OOD 55 2 0 25 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 49 1 0 16 Oct 2024
PromptGCN: Bridging Subgraph Gaps in Lightweight GCNs Shengwei Ji Yujie Tian Fei Liu Xinlu Li Le Wu GNN 42 0 0 14 Oct 2024
UniGEM: A Unified Approach to Generation and Property Prediction for Molecules Shikun Feng Yuyan Ni Yan Lu Zhi-Ming Ma Wei-Ying Ma Yanyan Lan 45 5 0 14 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 38 0 0 02 Sep 2024
Scalable Graph Compressed Convolutions Junshu Sun Chen Yang Shuhui Wang Qingming Huang GNN 55 0 0 26 Jul 2024
Generalizing Graph Transformers Across Diverse Graphs and Tasks via Pre-Training on Industrial-Scale Data Yufei He Zhenyu Hou Yukuo Cen Feng He Xu Cheng Bryan Hooi AI4CE 31 3 0 04 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
Strategies for Pretraining Neural Operators Anthony Zhou Cooper Lorsung AmirPouya Hemmasian Amir Barati Farimani AI4CE 46 6 0 12 Jun 2024
On the Hölder Stability of Multiset and Graph Neural Networks Yair Davidson Nadav Dym 53 0 0 11 Jun 2024
MolX: Enhancing Large Language Models for Molecular Learning with A Multi-Modal Extension Khiem Le Zhichun Guo Kaiwen Dong Xiaobao Huang B. Nan Roshni G. Iyer Xiangliang Zhang Olaf Wiest Wei Wang Nitesh Chawla 41 8 0 10 Jun 2024
ProG: A Graph Prompt Learning Benchmark Chenyi Zi Haihong Zhao Xiangguo Sun Yiqing Lin Hong Cheng Jia Li 64 10 0 08 Jun 2024
Unleashing the Potential of Text-attributed Graphs: Automatic Relation Decomposition via Large Language Models Hyunjin Seo Taewon Kim J. Yang Eunho Yang 47 0 0 28 May 2024
Knowledge-enhanced Relation Graph and Task Sampling for Few-shot Molecular Property Prediction Zeyu Wang Tianyi Jiang Yao Lu Xiaoze Bao Shanqing Yu Bin Wei Qi Xuan 42 1 0 24 May 2024
Unleash Graph Neural Networks from Heavy Tuning Lequan Lin Dai Shi Andi Han Zhiyong Wang Junbin Gao AI4CE 36 2 0 21 May 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 53 4 0 24 Apr 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 25 0 0 23 Apr 2024
Understanding Optimal Feature Transfer via a Fine-Grained Bias-Variance Analysis Yufan Li Subhabrata Sen Ben Adlam MLT 51 1 0 18 Apr 2024
Physical formula enhanced multi-task learning for pharmacokinetics prediction Ruifeng Li Dongzhan Zhou Ancheng Shen Ao Zhang Mao Su ... Gang Chen Yin Zhang Shufei Zhang Yuqiang Li Wanli Ouyang 29 2 0 16 Apr 2024
Contextualized Messages Boost Graph Representations Brian Godwin Lim Galvin Brice Lim Renzo Roel Tan Kazushi Ikeda AI4CE 72 2 0 19 Mar 2024
A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications Jiaqi Han Jiacheng Cen Liming Wu Zongzhao Li Xiangzhe Kong ... Zhewei Wei Deli Zhao Yu Rong Wenbing Huang Wenbing Huang AI4CE 40 22 0 01 Mar 2024
Challenges in Pre-Training Graph Neural Networks for Context-Based Fake News Detection: An Evaluation of Current Strategies and Resource Limitations Gregor Donabauer Udo Kruschwitz GNN AI4CE 40 1 0 28 Feb 2024
On the Challenges and Opportunities in Generative AI Laura Manduchi Kushagra Pandey Robert Bamler Ryan Cotterell Sina Daubener ... F. Wenzel Frank Wood Stephan Mandt Vincent Fortuin Vincent Fortuin 56 17 0 28 Feb 2024
UGMAE: A Unified Framework for Graph Masked Autoencoders Yijun Tian Chuxu Zhang Ziyi Kou Zheyuan Liu Xiangliang Zhang Nitesh Chawla 34 1 0 12 Feb 2024
Topology-Informed Graph Transformer Yuncheol Choi Sun Woo Park Minho Lee Youngho Woo 36 3 0 03 Feb 2024
Through the Dual-Prism: A Spectral Perspective on Graph Data Augmentation for Graph Classification Yutong Xia Runpeng Yu Keli Zhang Xavier Bresson Xinchao Wang Roger Zimmermann 44 4 0 18 Jan 2024
SynHING: Synthetic Heterogeneous Information Network Generation for Graph Learning and Explanation Ming-Yi Hong Yi-Hsiang Huang Shao-En Lin You-Chen Teng Chih-Yu Wang Che Lin 47 0 0 07 Jan 2024