Title
Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials Peter Bjørn Jørgensen K. Jacobsen Mikkel N. Schmidt 56 82 0 08 Jun 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 276 902 0 07 Jun 2018
MolGAN: An implicit generative model for small molecular graphs Nicola De Cao Thomas Kipf GNN GAN 169 925 0 30 May 2018
A Generative Model For Electron Paths John Bradshaw Matt J. Kusner Brooks Paige Marwin H. S. Segler José Miguel Hernández-Lobato 51 56 0 23 May 2018
Constrained Graph Variational Autoencoders for Molecule Design Qi Liu Miltiadis Allamanis Marc Brockschmidt Alexander L. Gaunt BDL 67 455 0 23 May 2018
Attention-based Graph Neural Network for Semi-supervised Learning K. K. Thekumparampil Chong-Jun Wang Sewoong Oh Li Li GNN 65 333 0 10 Mar 2018
Learning Deep Generative Models of Graphs Yujia Li Oriol Vinyals Chris Dyer Razvan Pascanu Peter W. Battaglia GNN AI4CE 188 661 0 08 Mar 2018
Syntax-Directed Variational Autoencoder for Structured Data H. Dai Yingtao Tian Bo Dai Steven Skiena Le Song 94 328 0 24 Feb 2018
GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Models Jiaxuan You Rex Ying Xiang Ren William L. Hamilton J. Leskovec GNN BDL 110 848 0 24 Feb 2018
Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds Nathaniel Thomas Tess E. Smidt S. Kearnes Lusann Yang Li Li Kai Kohlhoff Patrick F. Riley 3DPC 83 969 0 22 Feb 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 343 1,366 0 12 Feb 2018
GraphVAE: Towards Generation of Small Graphs Using Variational Autoencoders M. Simonovsky N. Komodakis GNN BDL 105 849 0 09 Feb 2018
Deeper Insights into Graph Convolutional Networks for Semi-Supervised Learning Qimai Li Zhichao Han Xiao-Ming Wu GNN SSL 182 2,825 0 22 Jan 2018
Multi-Objective De Novo Drug Design with Conditional Graph Generative Model Yibo Li L. Zhang Zhenming Liu 72 338 0 18 Jan 2018
GraphGAN: Graph Representation Learning with Generative Adversarial Nets Hongwei Wang Jia Wang Jialin Wang Miao Zhao Weinan Zhang Fuzheng Zhang Xing Xie Minyi Guo GNN GAN 79 624 0 22 Nov 2017
Graph Attention Networks Petar Velickovic Guillem Cucurull Arantxa Casanova Adriana Romero Pietro Lio Yoshua Bengio GNN 459 20,124 0 30 Oct 2017
Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network Wengong Jin Connor W. Coley Regina Barzilay Tommi Jaakkola 65 274 0 13 Sep 2017
Learning to Plan Chemical Syntheses Marwin H. S. Segler Mike Preuss M. Waller 74 1,371 0 14 Aug 2017
Attention Is All You Need Ashish Vaswani Noam M. Shazeer Niki Parmar Jakob Uszkoreit Llion Jones Aidan Gomez Lukasz Kaiser Illia Polosukhin 3DV 672 131,414 0 12 Jun 2017
PointNet++: Deep Hierarchical Feature Learning on Point Sets in a Metric Space C. Qi L. Yi Hao Su Leonidas Guibas 3DPC 3DV 339 11,094 0 07 Jun 2017
Inductive Representation Learning on Large Graphs William L. Hamilton Z. Ying J. Leskovec 477 15,218 0 07 Jun 2017
Retrosynthetic reaction prediction using neural sequence-to-sequence models Bowen Liu Bharath Ramsundar Prasad Kawthekar Jade Shi Joseph Gomes Quang Luu Nguyen Stephen Ho Jack L. Sloane P. Wender Vijay S. Pande 55 418 0 06 Jun 2017
CayleyNets: Graph Convolutional Neural Networks with Complex Rational Spectral Filters Ron Levie Federico Monti Xavier Bresson M. Bronstein GNN 185 659 0 22 May 2017
Neural Message Passing for Quantum Chemistry Justin Gilmer S. Schoenholz Patrick F. Riley Oriol Vinyals George E. Dahl 582 7,441 0 04 Apr 2017
Modeling Relational Data with Graph Convolutional Networks Michael Schlichtkrull Thomas Kipf Peter Bloem Rianne van den Berg Ivan Titov Max Welling GNN 183 4,812 0 17 Mar 2017
Grammar Variational Autoencoder Matt J. Kusner Brooks Paige José Miguel Hernández-Lobato BDL DRL 77 841 0 06 Mar 2017
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 328 1,826 0 02 Mar 2017
Geometric deep learning on graphs and manifolds using mixture model CNNs Federico Monti Davide Boscaini Jonathan Masci Emanuele Rodolà Jan Svoboda M. Bronstein GNN 412 1,820 0 25 Nov 2016
Geometric deep learning: going beyond Euclidean data M. Bronstein Joan Bruna Yann LeCun Arthur Szlam P. Vandergheynst GNN 789 3,282 0 24 Nov 2016
Variational Graph Auto-Encoders Thomas Kipf Max Welling GNN BDL SSL CML 145 3,584 0 21 Nov 2016
Low Data Drug Discovery with One-shot Learning Han Altae-Tran Bharath Ramsundar Aneesh S. Pappu Vijay S. Pande 89 686 0 10 Nov 2016
Variational Autoencoder for Deep Learning of Images, Labels and Captions Yunchen Pu Zhe Gan Ricardo Henao Xin Yuan Chunyuan Li Andrew Stevens Lawrence Carin BDL CoGe 79 752 0 28 Sep 2016
SeqGAN: Sequence Generative Adversarial Nets with Policy Gradient Lantao Yu Weinan Zhang Jun Wang Yong Yu GAN 69 2,398 0 18 Sep 2016
Semi-Supervised Classification with Graph Convolutional Networks Thomas Kipf Max Welling GNN SSL 602 29,032 0 09 Sep 2016
node2vec: Scalable Feature Learning for Networks Aditya Grover J. Leskovec 186 10,863 0 03 Jul 2016
Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering M. Defferrard Xavier Bresson P. Vandergheynst GNN 333 7,648 0 30 Jun 2016
Faster Eigenvector Computation via Shift-and-Invert Preconditioning Dan Garber Laurent Dinh Chi Jin Jascha Narain Sohl-Dickstein Samy Bengio Praneeth Netrapalli Aaron Sidford 263 78 0 26 May 2016
Learning Convolutional Neural Networks for Graphs Mathias Niepert Mohamed Ahmed Konstantin Kutzkov GNN SSL 135 2,154 0 17 May 2016
Group Equivariant Convolutional Networks Taco S. Cohen Max Welling BDL 150 1,934 0 24 Feb 2016
Order Matters: Sequence to sequence for sets Oriol Vinyals Samy Bengio M. Kudlur BDL 191 950 0 19 Nov 2015
Convolutional Networks on Graphs for Learning Molecular Fingerprints David Duvenaud D. Maclaurin J. Aguilera-Iparraguirre Rafael Gómez-Bombarelli Timothy D. Hirzel Alán Aspuru-Guzik Ryan P. Adams GNN 215 3,350 0 30 Sep 2015
Deep Generative Image Models using a Laplacian Pyramid of Adversarial Networks Emily L. Denton Soumith Chintala Arthur Szlam Rob Fergus GAN 90 2,241 0 18 Jun 2015
Deep Convolutional Networks on Graph-Structured Data Mikael Henaff Joan Bruna Yann LeCun GNN 155 1,587 0 16 Jun 2015
NICE: Non-linear Independent Components Estimation Laurent Dinh David M. Krueger Yoshua Bengio DRL BDL 121 2,258 0 30 Oct 2014
On the Properties of Neural Machine Translation: Encoder-Decoder Approaches Kyunghyun Cho B. V. Merrienboer Dzmitry Bahdanau Yoshua Bengio AI4CE AIMat 237 6,775 0 03 Sep 2014
DeepWalk: Online Learning of Social Representations Bryan Perozzi Rami Al-Rfou Steven Skiena HAI 252 9,779 0 26 Mar 2014
Spectral Networks and Locally Connected Networks on Graphs Joan Bruna Wojciech Zaremba Arthur Szlam Yann LeCun GNN 209 4,874 0 21 Dec 2013
Auto-Encoding Variational Bayes Diederik P. Kingma Max Welling BDL 439 16,940 0 20 Dec 2013
Kronecker Graphs: An Approach to Modeling Networks J. Leskovec Deepayan Chakrabarti Jon M. Kleinberg Christos Faloutsos Zoubin Ghahramani 96 1,073 0 29 Dec 2008