GraphVAE: Towards Generation of Small Graphs Using Variational Autoencoders

9 February 2018

Papers citing "GraphVAE: Towards Generation of Small Graphs Using Variational Autoencoders"

38 / 138 papers shown

Title
Does Unsupervised Architecture Representation Learning Help Neural Architecture Search? Shen Yan Yu Zheng Wei Ao Xiao Zeng Mi Zhang SSL AI4CE 30 99 0 12 Jun 2020
Interpretable Deep Graph Generation with Node-Edge Co-Disentanglement Xiaojie Guo Liang Zhao Zhao Qin Lingfei Wu Amarda Shehu Yanfang Ye CoGe DRL 35 46 0 09 Jun 2020
Deep Multi-attributed Graph Translation with Node-Edge Co-evolution Xiaojie Guo Liang Zhao Cameron Nowzari S. Rafatirad Houman Homayoun Sai Manoj P D 45 27 0 22 Mar 2020
Graph Deconvolutional Generation Daniel Flam-Shepherd Tony C Wu Alán Aspuru-Guzik BDL 28 31 0 14 Feb 2020
Hierarchical Generation of Molecular Graphs using Structural Motifs Wengong Jin Regina Barzilay Tommi Jaakkola 21 279 0 08 Feb 2020
FastGAE: Scalable Graph Autoencoders with Stochastic Subgraph Decoding Guillaume Salha-Galvan Romain Hennequin Jean-Baptiste Remy Manuel Moussallam Michalis Vazirgiannis GNN BDL 21 6 0 05 Feb 2020
GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation Chence Shi Minkai Xu Zhaocheng Zhu Weinan Zhang Ming Zhang Jian Tang 64 425 0 26 Jan 2020
GraphGen: A Scalable Approach to Domain-agnostic Labeled Graph Generation Nikhil Goyal Harsh Jain Sayan Ranu 18 90 0 22 Jan 2020
Machine learning and AI-based approaches for bioactive ligand discovery and GPCR-ligand recognition S. Raschka Benjamin Kaufman AI4CE 24 67 0 17 Jan 2020
A Gentle Introduction to Deep Learning for Graphs D. Bacciu Federico Errica A. Micheli Marco Podda AI4CE GNN 42 277 0 29 Dec 2019
Effective Decoding in Graph Auto-Encoder using Triadic Closure Han Shi Haozheng Fan James T. Kwok AI4CE 14 39 0 26 Nov 2019
Mixed-curvature Variational Autoencoders Ondrej Skopek O. Ganea Gary Bécigneul CML DRL BDL 30 101 0 19 Nov 2019
Molecular Generative Model Based On Adversarially Regularized Autoencoder S. Hong Jaechang Lim Seongok Ryu W. Kim GAN DRL GNN 28 63 0 13 Nov 2019
Disentangling Interpretable Generative Parameters of Random and Real-World Graphs Niklas Stoehr Emine Yilmaz Marc Brockschmidt Jan Stuehmer BDL CML DRL 22 14 0 12 Oct 2019
DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning Yibo Li Jianxing Hu Yanxing Wang Jielong Zhou L. Zhang Zhenming Liu 30 92 0 20 Aug 2019
Image Classification with Hierarchical Multigraph Networks Boris Knyazev Xiaoyu Lin Mohamed R. Amer Graham W. Taylor GNN BDL 25 35 0 21 Jul 2019
Deep Set Prediction Networks Yan Zhang Jonathon S. Hare Adam Prugel-Bennett 17 107 0 15 Jun 2019
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules Niklas W. A. Gebauer M. Gastegger Kristof T. Schütt 26 201 0 02 Jun 2019
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation Mario Krenn Florian Hase AkshatKumar Nigam Pascal Friederich Alán Aspuru-Guzik 11 70 0 31 May 2019
D-VAE: A Variational Autoencoder for Directed Acyclic Graphs Muhan Zhang Shali Jiang Zhicheng Cui Roman Garnett Yixin Chen GNN BDL CML 29 196 0 24 Apr 2019
Molecular geometry prediction using a deep generative graph neural network Elman Mansimov Omar Mahmood Seokho Kang Kyunghyun Cho 11 183 0 31 Mar 2019
Learning to Sample Hard Instances for Graph Algorithms Ryoma Sato M. Yamada H. Kashima 19 1 0 26 Feb 2019
A Degeneracy Framework for Scalable Graph Autoencoders Guillaume Salha-Galvan Romain Hennequin Viet-Anh Tran Michalis Vazirgiannis GNN 27 36 0 23 Feb 2019
A Comprehensive Survey on Graph Neural Networks Zonghan Wu Shirui Pan Fengwen Chen Guodong Long Chengqi Zhang Philip S. Yu FaML GNN AI4TS AI4CE 159 8,356 0 03 Jan 2019
Learning Multimodal Graph-to-Graph Translation for Molecular Optimization Wengong Jin Kevin Kaichuang Yang Regina Barzilay Tommi Jaakkola 33 224 0 03 Dec 2018
GuacaMol: Benchmarking Models for De Novo Molecular Design Nathan Brown Marco Fiscato Marwin H. S. Segler Alain C. Vaucher ELM 44 691 0 22 Nov 2018
Chemical Structure Elucidation from Mass Spectrometry by Matching Substructures Jing Lim Joshua Wong M. X. Wong Lee Han Eric Tan Hai Leong Chieu Davin Choo Neng Kai Nigel Neo 21 8 0 17 Nov 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 203 885 0 07 Jun 2018
MolGAN: An implicit generative model for small molecular graphs Nicola De Cao Thomas Kipf GNN GAN 35 906 0 30 May 2018
Change Detection in Graph Streams by Learning Graph Embeddings on Constant-Curvature Manifolds Daniele Grattarola Daniele Zambon Cesare Alippi L. Livi GNN 35 40 0 16 May 2018
Conditional molecular design with deep generative models Seokho Kang Kyunghyun Cho BDL 161 183 0 30 Apr 2018
Graph2Seq: Graph to Sequence Learning with Attention-based Neural Networks Kun Xu Lingfei Wu Zhiguo Wang Yansong Feng Michael Witbrock V. Sheinin GNN 25 171 0 03 Apr 2018
Attentional Multilabel Learning over Graphs: A Message Passing Approach Kien Do T. Tran Thin Nguyen Svetha Venkatesh 21 17 0 01 Apr 2018
Graphite: Iterative Generative Modeling of Graphs Aditya Grover Aaron Zweig Stefano Ermon BDL 18 296 0 28 Mar 2018
GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Models Jiaxuan You Rex Ying Xiang Ren William L. Hamilton J. Leskovec GNN BDL 41 831 0 24 Feb 2018
Multi-Objective De Novo Drug Design with Conditional Graph Generative Model Yibo Li L. Zhang Zhenming Liu 35 335 0 18 Jan 2018
Constrained Bayesian Optimization for Automatic Chemical Design Ryan-Rhys Griffiths José Miguel Hernández-Lobato BDL 39 76 0 16 Sep 2017
Geometric deep learning: going beyond Euclidean data M. Bronstein Joan Bruna Yann LeCun Arthur Szlam P. Vandergheynst GNN 259 3,239 0 24 Nov 2016