Hierarchical Inter-Message Passing for Learning on Molecular Graphs

22 June 2020

Papers citing "Hierarchical Inter-Message Passing for Learning on Molecular Graphs"

50 / 57 papers shown

Title
Efficient Learning on Large Graphs using a Densifying Regularity Lemma Jonathan Kouchly Ben Finkelshtein M. Bronstein Ron Levie 39 0 0 25 Apr 2025
GFT: Graph Foundation Model with Transferable Tree Vocabulary Zehong Wang Zheyuan Zhang Nitesh V. Chawla Chuxu Zhang Yanfang Ye 41 9 0 09 Nov 2024
Cluster-wise Graph Transformer with Dual-granularity Kernelized Attention Siyuan Huang Yunchong Song Jiayue Zhou Zhouhan Lin 30 1 0 09 Oct 2024
Advanced atom-level representations for protein flexibility prediction utilizing graph neural networks Sina Sarparast Aldo Zaimi Maximilian Ebert Michael-Rock Goldsmith AI4CE 27 0 0 22 Aug 2024
Demystifying Higher-Order Graph Neural Networks Maciej Besta Florian Scheidl Lukas Gianinazzi S. Klaiman Jürgen Müller Torsten Hoefler 43 2 0 18 Jun 2024
Expressivity and Generalization: Fragment-Biases for Molecular GNNs Tom Wollschlager Niklas Kemper Leon Hetzel Johanna Sommer Stephan Günnemann 42 4 0 12 Jun 2024
Graph External Attention Enhanced Transformer Jianqing Liang Min Chen Jiye Liang 38 1 0 31 May 2024
Learning on Large Graphs using Intersecting Communities Ben Finkelshtein .Ismail .Ilkan Ceylan Michael M. Bronstein Ron Levie GNN 30 5 0 31 May 2024
Spatio-Spectral Graph Neural Networks Simon Geisler Arthur Kosmala Daniel Herbst Stephan Günnemann 45 8 0 29 May 2024
Probabilistic Graph Rewiring via Virtual Nodes Chendi Qian Andrei Manolache Christopher Morris Mathias Niepert AI4CE 38 3 0 27 May 2024
Weisfeiler and Leman Go Loopy: A New Hierarchy for Graph Representational Learning Raffaele Paolino Sohir Maskey Pascal Welke Gitta Kutyniok 33 2 0 20 Mar 2024
Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey Taojie Kuang Pengfei Liu Zhixiang Ren AI4CE 47 1 0 11 Feb 2024
Transformers are efficient hierarchical chemical graph learners Zihan Pengmei Zimu Li Chih-chan Tien Risi Kondor Aaron R Dinner GNN 21 1 0 02 Oct 2023
Distance-Restricted Folklore Weisfeiler-Leman GNNs with Provable Cycle Counting Power Junru Zhou Jiarui Feng Xiyuan Wang Muhan Zhang 21 8 0 10 Sep 2023
Curvature-based Pooling within Graph Neural Networks Cedric Sanders Andreas Roth Thomas Liebig 38 5 0 31 Aug 2023
Weisfeiler and Lehman Go Paths: Learning Topological Features via Path Complexes Quang Truong Peter Chin GNN 24 7 0 13 Aug 2023
PlanE: Representation Learning over Planar Graphs Radoslav Dimitrov Zeyang Zhao Ralph Abboud .Ismail .Ilkan Ceylan GNN 29 9 0 03 Jul 2023
P-tensors: a General Formalism for Constructing Higher Order Message Passing Networks Tianyi Sun Andrew R. Hands Risi Kondor 15 2 0 19 Jun 2023
Path Neural Networks: Expressive and Accurate Graph Neural Networks Gaspard Michel Giannis Nikolentzos J. Lutzeyer Michalis Vazirgiannis GNN 18 26 0 09 Jun 2023
CIN++: Enhancing Topological Message Passing Lorenzo Giusti Teodora Reu Francesco Ceccarelli Cristian Bodnar Pietro Lio' GNN 32 7 0 06 Jun 2023
Self-Attention in Colors: Another Take on Encoding Graph Structure in Transformers Romain Menegaux Emmanuel Jehanno Margot Selosse Julien Mairal 21 6 0 21 Apr 2023
Exphormer: Sparse Transformers for Graphs Hamed Shirzad A. Velingker B. Venkatachalam Danica J. Sutherland A. Sinop 11 97 0 10 Mar 2023
Graph Positional Encoding via Random Feature Propagation Moshe Eliasof Fabrizio Frasca Beatrice Bevilacqua Eran Treister Gal Chechik Haggai Maron 22 18 0 06 Mar 2023
Learning Topology-Specific Experts for Molecular Property Prediction S. Kim Dongha Lee SeongKu Kang Seonghyeon Lee Hwanjo Yu AAML 27 11 0 27 Feb 2023
Equivariant Polynomials for Graph Neural Networks Omri Puny Derek Lim B. Kiani Haggai Maron Y. Lipman 24 31 0 22 Feb 2023
Boosting the Cycle Counting Power of Graph Neural Networks with I $^2$ -GNNs Yinan Huang Xingang Peng Jianzhu Ma Muhan Zhang 81 47 0 22 Oct 2022
Expander Graph Propagation Andreea Deac Marc Lackenby Petar Velivcković 96 52 0 06 Oct 2022
Multimodal learning with graphs Yasha Ektefaie George Dasoulas Ayush Noori Maha Farhat Marinka Zitnik 51 82 0 07 Sep 2022
Affinity-Aware Graph Networks A. Velingker A. Sinop Ira Ktena Petar Velickovic Sreenivas Gollapudi GNN 50 16 0 23 Jun 2022
Ordered Subgraph Aggregation Networks Chao Qian Gaurav Rattan Floris Geerts Christopher Morris Mathias Niepert 41 57 0 22 Jun 2022
Understanding and Extending Subgraph GNNs by Rethinking Their Symmetries Fabrizio Frasca Beatrice Bevilacqua Michael M. Bronstein Haggai Maron 35 125 0 22 Jun 2022
Agent-based Graph Neural Networks Karolis Martinkus Pál András Papp Benedikt Schesch Roger Wattenhofer LLMAG GNN 29 17 0 22 Jun 2022
Your Transformer May Not be as Powerful as You Expect Shengjie Luo Shanda Li Shuxin Zheng Tie-Yan Liu Liwei Wang Di He 52 50 0 26 May 2022
Graph Anisotropic Diffusion Ahmed A. A. Elhag Gabriele Corso Hannes Stärk Michael M. Bronstein DiffM GNN 17 0 0 30 Apr 2022
Multi stain graph fusion for multimodal integration in pathology Chaitanya Dwivedi Shima Nofallah Maryam Pouryahya Janani Iyer K. Leidal ... T. Watkins A. Billin R. Myers J. Abel A. Behrooz 20 18 0 26 Apr 2022
Sign and Basis Invariant Networks for Spectral Graph Representation Learning Derek Lim Joshua Robinson Lingxiao Zhao Tess E. Smidt S. Sra Haggai Maron Stefanie Jegelka 43 141 0 25 Feb 2022
Message passing all the way up Petar Velickovic 111 63 0 22 Feb 2022
Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks Zhaoning Yu Hongyang Gao 28 39 0 01 Feb 2022
Weisfeiler and Leman go Machine Learning: The Story so far Christopher Morris Y. Lipman Haggai Maron Bastian Alexander Rieck Nils M. Kriege Martin Grohe Matthias Fey Karsten M. Borgwardt GNN 37 110 0 18 Dec 2021
Directional Message Passing on Molecular Graphs via Synthetic Coordinates Johannes Klicpera Chandan Yeshwanth Stephan Günnemann 35 35 0 08 Nov 2021
Graph-Guided Network for Irregularly Sampled Multivariate Time Series Xiang Zhang M. Zeman Theodoros Tsiligkaridis Marinka Zitnik MLAU AI4TS 32 106 0 11 Oct 2021
An In-depth Summary of Recent Artificial Intelligence Applications in Drug Design Yi Zhang AI4CE 28 4 0 10 Oct 2021
From Stars to Subgraphs: Uplifting Any GNN with Local Structure Awareness Lingxiao Zhao Wei Jin L. Akoglu Neil Shah GNN 24 160 0 07 Oct 2021
Equivariant Subgraph Aggregation Networks Beatrice Bevilacqua Fabrizio Frasca Derek Lim Balasubramaniam Srinivasan Chen Cai G. Balamurugan M. Bronstein Haggai Maron 48 174 0 06 Oct 2021
Weisfeiler and Lehman Go Cellular: CW Networks Cristian Bodnar Fabrizio Frasca N. Otter Yu Guang Wang Pietro Lió Guido Montúfar M. Bronstein GNN 28 224 0 23 Jun 2021
Graph Context Encoder: Graph Feature Inpainting for Graph Generation and Self-supervised Pretraining Oriel Frigo Rémy Brossard David Dehaene 34 1 0 18 Jun 2021
Autobahn: Automorphism-based Graph Neural Nets Erik H. Thiede Wenda Zhou Risi Kondor GNN AI4CE 23 48 0 02 Mar 2021
Walking Out of the Weisfeiler Leman Hierarchy: Graph Learning Beyond Message Passing Jan Toenshoff Martin Ritzert Hinrikus Wolf Martin Grohe GNN 78 27 0 17 Feb 2021
Breaking the Expressive Bottlenecks of Graph Neural Networks Mingqi Yang Yanming Shen Heng Qi Baocai Yin 20 10 0 14 Dec 2020
Advanced Graph and Sequence Neural Networks for Molecular Property Prediction and Drug Discovery Zhengyang Wang Meng Liu Youzhi Luo Zhao Xu Yaochen Xie ... Lei Cai Q. Qi Zhuoning Yuan Tianbao Yang Shuiwang Ji 30 100 0 02 Dec 2020