Strategies for Pre-training Graph Neural Networks

29 May 2019

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

50 / 300 papers shown

Title
Adaptive Message Passing: A General Framework to Mitigate Oversmoothing, Oversquashing, and Underreaching Federico Errica Henrik Christiansen Viktor Zaverkin Takashi Maruyama Mathias Niepert Francesco Alesiani 62 8 0 27 Dec 2023
Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns Yifei Sun Qi Zhu Yang Yang Chunping Wang Tianyu Fan Jiajun Zhu Lei Chen 56 12 0 21 Dec 2023
Empowering Dual-Level Graph Self-Supervised Pretraining with Motif Discovery Pengwei Yan Kaisong Song Zhuoren Jiang Yangyang Kang Tianqianjin Lin Changlong Sun Xiaozhong Liu AI4CE 33 2 0 19 Dec 2023
Enhancing Molecular Property Prediction via Mixture of Collaborative Experts Xu Yao Shuang Liang Songqiao Han Hailiang Huang 34 4 0 06 Dec 2023
Improving Self-supervised Molecular Representation Learning using Persistent Homology Yuankai Luo Lei Shi Veronika Thost SSL 36 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 25 9 0 08 Nov 2023
AI-accelerated Discovery of Altermagnetic Materials Ze-Feng Gao Shuai Qu Bocheng Zeng Yong-Jin Liu Ji-Rong Wen Hao Sun Peng-Jie Guo Zhong-Yi Lu 33 25 0 08 Nov 2023
Neural Atoms: Propagating Long-range Interaction in Molecular Graphs through Efficient Communication Channel Xuan Li Zhanke Zhou Jiangchao Yao Yu Rong Lu Zhang Bo Han 53 3 0 02 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 44 14 0 02 Nov 2023
Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules Zhiyuan Liu Yaorui Shi An Zhang Enzhi Zhang Kenji Kawaguchi Xiang Wang Tat-Seng Chua AI4CE 41 36 0 23 Oct 2023
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network Akihiro Kishimoto Hiroshi Kajino Masataka Hirose Junta Fuchiwaki Indra Priyadarsini Lisa Hamada Hajime Shinohara D. Nakano Seiji Takeda AI4CE 39 4 0 28 Sep 2023
3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information Taojie Kuang Yiming Ren Zhixiang Ren 29 7 0 28 Sep 2023
Graph-level Representation Learning with Joint-Embedding Predictive Architectures Geri Skenderi Hang Li Jiliang Tang Marco Cristani AI4TS GNN 54 3 0 27 Sep 2023
TouchUp-G: Improving Feature Representation through Graph-Centric Finetuning Jing Zhu Xiang Song V. Ioannidis Danai Koutra Christos Faloutsos 62 13 0 25 Sep 2023
Uncovering Neural Scaling Laws in Molecular Representation Learning Dingshuo Chen Yanqiao Zhu Jieyu Zhang Yuanqi Du Zhixun Li Qiang Liu Shu Wu Liang Wang 37 16 0 15 Sep 2023
Semi-supervised Domain Adaptation on Graphs with Contrastive Learning and Minimax Entropy Jiaren Xiao Quanyu Dai X. Shen Xiaochen Xie Jing Dai James Lam Ka-Wai Kwok 33 6 0 14 Sep 2023
Motif-aware Attribute Masking for Molecular Graph Pre-training Eric Inae Gang Liu Meng Jiang AI4CE 48 14 0 08 Sep 2023
Domain-adaptive Message Passing Graph Neural Network X. Shen Shirui Pan K. Choi Xiaoping Zhou 38 16 0 31 Aug 2023
A Survey of Imbalanced Learning on Graphs: Problems, Techniques, and Future Directions Zemin Liu Yuan N. Li Nan-Fang Chen Qian Wang Bryan Hooi Bin He FaML 18 13 0 26 Aug 2023
Diffusion probabilistic models enhance variational autoencoder for crystal structure generative modeling T. Pakornchote Natthaphon Choomphon-anomakhun Sorrjit Arrerut C. Atthapak S. Khamkaeo Thiparat Chotibut T. Bovornratanaraks DiffM 37 17 0 04 Aug 2023
Fractional Denoising for 3D Molecular Pre-training Shi Feng Yuyan Ni Yanyan Lan Zhiming Ma Wei-Ying Ma DiffM AI4CE 52 25 0 20 Jul 2023
CPDG: A Contrastive Pre-Training Method for Dynamic Graph Neural Networks Yuan-Qi Bei Haonan Xu Sheng Zhou Huixuan Chi Haishuai Wang Mengdi Zhang Zhao Li Jiajun Bu 46 6 0 06 Jul 2023
CardiGraphormer: Unveiling the Power of Self-Supervised Learning in Revolutionizing Drug Discovery Abhijit Gupta 23 0 0 03 Jul 2023
$Enabling tabular deep learning when $d \gg n$ with an auxiliary knowledge graph$ Enabling tabular deep learning when $d \gg n$ with an auxiliary knowledge graph Camilo Ruiz Hongyu Ren Kexin Huang J. Leskovec 33 2 0 07 Jun 2023
Retrosynthesis Prediction with Local Template Retrieval Shufang Xie Rui Yan Junliang Guo Yingce Xia Lijun Wu Tao Qin 29 12 0 07 Jun 2023
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining Shengchao Liu Weitao Du Zhiming Ma Hongyu Guo Jian Tang 31 30 0 28 May 2023
Graph Inductive Biases in Transformers without Message Passing Liheng Ma Chen Lin Derek Lim Adriana Romero Soriano P. Dokania Mark J. Coates Philip Torr Ser-Nam Lim AI4CE 40 85 0 27 May 2023
Robust Ante-hoc Graph Explainer using Bilevel Optimization Kha-Dinh Luong Mert Kosan A. Silva Ambuj K. Singh 41 6 0 25 May 2023
Atomic and Subgraph-aware Bilateral Aggregation for Molecular Representation Learning Jiahao Chen Yurou Liu Jiangmeng Li Fuchun Sun Jirong Wen 29 0 0 22 May 2023
Patton: Language Model Pretraining on Text-Rich Networks Bowen Jin Wentao Zhang Yu Zhang Yu Meng Xinyang Zhang Qi Zhu Jiawei Han VLM 48 45 0 20 May 2023
Tractable Probabilistic Graph Representation Learning with Graph-Induced Sum-Product Networks Federico Errica Mathias Niepert TPM 32 4 0 17 May 2023
Unstructured and structured data: Can we have the best of both worlds with large language models? W. Tan 34 1 0 25 Apr 2023
Learning Cellular Coverage from Real Network Configurations using GNNs Yifei Jin Marios Daoutis Sarunas Girdzijauskas Aristides Gionis AI4TS 31 0 0 20 Apr 2023
SELFormer: Molecular Representation Learning via SELFIES Language Models Atakan Yüksel Erva Ulusoy Atabey Ünlü Tunca Dogan 41 55 0 10 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 24 5 0 08 Apr 2023
Graph Mixture of Experts: Learning on Large-Scale Graphs with Explicit Diversity Modeling Haotao Wang Ziyu Jiang Yuning You Yan Han Gaowen Liu Jayanth Srinivasa Ramana Rao Kompella Zhangyang Wang 36 29 0 06 Apr 2023
GeoTMI:Predicting quantum chemical property with easy-to-obtain geometry via positional denoising Hyeonsu Kim Jeheon Woo Seonghwan Kim Seokhyun Moon Jun Hyeong Kim Woo Youn Kim AI4CE 47 6 0 28 Mar 2023
Illuminati: Towards Explaining Graph Neural Networks for Cybersecurity Analysis Haoyu He Yuede Ji H. H. Huang 27 21 0 26 Mar 2023
A Survey of Graph Prompting Methods: Techniques, Applications, and Challenges Xuansheng Wu Kaixiong Zhou Mingchen Sun Xin Wang Ninghao Liu 64 12 0 13 Mar 2023
Molecular Property Prediction by Semantic-invariant Contrastive Learning Ziqiao Zhang Ailin Xie Jihong Guan Shuigeng Zhou 19 5 0 13 Mar 2023
Graph Positional Encoding via Random Feature Propagation Moshe Eliasof Fabrizio Frasca Beatrice Bevilacqua Eran Treister Gal Chechik Haggai Maron 34 18 0 06 Mar 2023
Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials Yuyang Wang Chang Xu Zijie Li A. Farimani AAML AI4CE 34 21 0 03 Mar 2023
Cardinality Estimation over Knowledge Graphs with Embeddings and Graph Neural Networks Tim Schwabe Maribel Acosta 23 3 0 02 Mar 2023
SGL-PT: A Strong Graph Learner with Graph Prompt Tuning Yun Zhu Jianhao Guo Siliang Tang 32 28 0 24 Feb 2023
Knowledge-augmented Graph Machine Learning for Drug Discovery: A Survey from Precision to Interpretability Zhiqiang Zhong A. Barkova Davide Mottin 29 8 0 16 Feb 2023
Activity Cliff Prediction: Dataset and Benchmark Ziqiao Zhang Bangyi Zhao Ailin Xie Yatao Bian Shuigeng Zhou 25 11 0 15 Feb 2023
Generalization in Graph Neural Networks: Improved PAC-Bayesian Bounds on Graph Diffusion Haotian Ju Dongyue Li Aneesh Sharma Hongyang R. Zhang 31 40 0 09 Feb 2023
Revisit the Algorithm Selection Problem for TSP with Spatial Information Enhanced Graph Neural Networks Yaobo Song Laurens Bliek Yingqian Zhang 34 1 0 08 Feb 2023
Curriculum Graph Machine Learning: A Survey Haoyang Li Xin Eric Wang Wenwu Zhu 38 16 0 06 Feb 2023
Improving Domain Generalization with Domain Relations Huaxiu Yao Xinyu Yang Xinyi Pan Shengchao Liu Pang Wei Koh Chelsea Finn OOD AI4CE 57 8 0 06 Feb 2023