Hierarchical Inter-Message Passing for Learning on Molecular Graphs

22 June 2020

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

31 / 31 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 39 9 0 09 Nov 2024
Cluster-wise Graph Transformer with Dual-granularity Kernelized Attention Siyuan Huang Yunchong Song Jiayue Zhou Zhouhan Lin 18 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 21 0 0 22 Aug 2024
Demystifying Higher-Order Graph Neural Networks Maciej Besta Florian Scheidl Lukas Gianinazzi S. Klaiman Jürgen Müller Torsten Hoefler 38 2 0 18 Jun 2024
Expressivity and Generalization: Fragment-Biases for Molecular GNNs Tom Wollschlager Niklas Kemper Leon Hetzel Johanna Sommer Stephan Günnemann 40 3 0 12 Jun 2024
Graph External Attention Enhanced Transformer Jianqing Liang Min Chen Jiye Liang 33 1 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 33 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 28 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 37 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 19 1 0 02 Oct 2023
Distance-Restricted Folklore Weisfeiler-Leman GNNs with Provable Cycle Counting Power Junru Zhou Jiarui Feng Xiyuan Wang Muhan Zhang 19 8 0 10 Sep 2023
Curvature-based Pooling within Graph Neural Networks Cedric Sanders Andreas Roth Thomas Liebig 33 5 0 31 Aug 2023
Weisfeiler and Lehman Go Paths: Learning Topological Features via Path Complexes Quang Truong Peter Chin GNN 19 7 0 13 Aug 2023
PlanE: Representation Learning over Planar Graphs Radoslav Dimitrov Zeyang Zhao Ralph Abboud .Ismail .Ilkan Ceylan GNN 24 9 0 03 Jul 2023
P-tensors: a General Formalism for Constructing Higher Order Message Passing Networks Tianyi Sun Andrew R. Hands Risi Kondor 8 2 0 19 Jun 2023
Path Neural Networks: Expressive and Accurate Graph Neural Networks Gaspard Michel Giannis Nikolentzos J. Lutzeyer Michalis Vazirgiannis GNN 18 25 0 09 Jun 2023
CIN++: Enhancing Topological Message Passing Lorenzo Giusti Teodora Reu Francesco Ceccarelli Cristian Bodnar Pietro Lio' GNN 26 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 19 6 0 21 Apr 2023
Graph Positional Encoding via Random Feature Propagation Moshe Eliasof Fabrizio Frasca Beatrice Bevilacqua Eran Treister Gal Chechik Haggai Maron 14 16 0 06 Mar 2023
Boosting the Cycle Counting Power of Graph Neural Networks with I $^2$ -GNNs Yinan Huang Xingang Peng Jianzhu Ma Muhan Zhang 76 46 0 22 Oct 2022
Expander Graph Propagation Andreea Deac Marc Lackenby Petar Velivcković 96 51 0 06 Oct 2022
Multimodal learning with graphs Yasha Ektefaie George Dasoulas Ayush Noori Maha Farhat Marinka Zitnik 38 82 0 07 Sep 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 14 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 20 138 0 25 Feb 2022
Equivariant Subgraph Aggregation Networks Beatrice Bevilacqua Fabrizio Frasca Derek Lim Balasubramaniam Srinivasan Chen Cai G. Balamurugan M. Bronstein Haggai Maron 22 174 0 06 Oct 2021
Graph Context Encoder: Graph Feature Inpainting for Graph Generation and Self-supervised Pretraining Oriel Frigo Rémy Brossard David Dehaene 21 1 0 18 Jun 2021
Autobahn: Automorphism-based Graph Neural Nets Erik H. Thiede Wenda Zhou Risi Kondor GNN AI4CE 16 48 0 02 Mar 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 1,766 0 02 Mar 2017