GraphVAE: Towards Generation of Small Graphs Using Variational Autoencoders

9 February 2018

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

50 / 138 papers shown

Title
Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design Keir Adams Connor W. Coley 34 25 0 06 Oct 2022
ChemAlgebra: Algebraic Reasoning on Chemical Reactions Andrea Valenti D. Bacciu Antonio Vergari OOD LRM 32 0 0 05 Oct 2022
Diffusion Models for Graphs Benefit From Discrete State Spaces K. Haefeli Karolis Martinkus Nathanael Perraudin Roger Wattenhofer DiffM 103 52 0 04 Oct 2022
Equivariant Energy-Guided SDE for Inverse Molecular Design Fan Bao Min Zhao Zhongkai Hao Pei‐Yun Li Chongxuan Li Jun Zhu DiffM 187 64 0 30 Sep 2022
Graph Contrastive Learning with Cross-view Reconstruction Qianlong Wen Z. Ouyang Chunhui Zhang Y. Qian Yanfang Ye Chuxu Zhang SSL 20 6 0 16 Sep 2022
Graph neural networks for materials science and chemistry Patrick Reiser Marlen Neubert André Eberhard Luca Torresi Chen Zhou ... Houssam Metni Clint van Hoesel Henrik Schopmans T. Sommer Pascal Friederich GNN AI4CE 50 373 0 05 Aug 2022
Controllable Data Generation by Deep Learning: A Review Shiyu Wang Yuanqi Du Xiaojie Guo Bo Pan Zhaohui Qin Liang Zhao 31 28 0 19 Jul 2022
GEMS: Scene Expansion using Generative Models of Graphs Rishi G. Agarwal Tirupati Saketh Chandra Vaidehi Patil Aniruddha Mahapatra K. Kulkarni Vishwa Vinay 30 4 0 08 Jul 2022
LIMO: Latent Inceptionism for Targeted Molecule Generation Peter Eckmann Kunyang Sun Bo-Lu Zhao Mudong Feng Michael K. Gilson Rose Yu BDL 43 44 0 17 Jun 2022
An Unpooling Layer for Graph Generation Yi Guo Dongmian Zou Gilad Lerman 16 2 0 04 Jun 2022
3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design Yinan Huang Xing Peng Jianzhu Ma Muhan Zhang BDL 30 47 0 15 May 2022
Conditional $β$ -VAE for De Novo Molecular Generation Ryan J. Richards A. Groener BDL DRL 24 10 0 01 May 2022
Statistical Model Criticism of Variational Auto-Encoders Claartje Barkhof Wilker Aziz DRL 21 3 0 06 Apr 2022
SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators Karolis Martinkus Andreas Loukas Nathanael Perraudin Roger Wattenhofer 42 67 0 04 Apr 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design Yuanqi Du Tianfan Fu Jimeng Sun Shengchao Liu AI4CE 31 86 0 28 Mar 2022
Gransformer: Transformer-based Graph Generation Ahmad Khajenezhad Seyed Ali Osia Mahmood Karimian H. Beigy 22 2 0 25 Mar 2022
A Survey on Deep Graph Generation: Methods and Applications Yanqiao Zhu Yuanqi Du Yinkai Wang Yichen Xu Jieyu Zhang Qiang Liu Shu Wu 3DV GNN 31 67 0 13 Mar 2022
Disentangled Spatiotemporal Graph Generative Models Yuanqi Du Xiaojie Guo Hengning Cao Yanfang Ye Liang Zhao 31 21 0 28 Feb 2022
Interpretable Molecular Graph Generation via Monotonic Constraints Yuanqi Du Xiaojie Guo Amarda Shehu Liang Zhao 63 19 0 28 Feb 2022
Improving the Level of Autism Discrimination through GraphRNN Link Prediction Haonan Sun Q. He Shouliang Qi Yudong Yao Yueyang Teng 22 0 0 19 Feb 2022
Learning to Discover Medicines T. Nguyen Thin Nguyen T. Tran 32 1 0 14 Feb 2022
MGCVAE: Multi-objective Inverse Design via Molecular Graph Conditional Variational Autoencoder Myeong-Sung Lee K. Min 33 41 0 14 Feb 2022
Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations Jaehyeong Jo Seul Lee Sung Ju Hwang DiffM 22 210 0 05 Feb 2022
Multiset-Equivariant Set Prediction with Approximate Implicit Differentiation Yan Zhang David W. Zhang Simon Lacoste-Julien Gertjan J. Burghouts Cees G. M. Snoek BDL 35 21 0 23 Nov 2021
A Variational Graph Autoencoder for Manipulation Action Recognition and Prediction Gamze Akyol Sanem Sariel E. Aksoy GNN DRL BDL 41 2 0 25 Oct 2021
Weakly Supervised Concept Map Generation through Task-Guided Graph Translation Jiaying Lu Xiangjue Dong Carl Yang 32 3 0 08 Oct 2021
F-Divergences and Cost Function Locality in Generative Modelling with Quantum Circuits Chiara Leadbeater Louis Sharrock Brian Coyle Marcello Benedetti 20 11 0 08 Oct 2021
CCGG: A Deep Autoregressive Model for Class-Conditional Graph Generation Yassaman Ommi Matin Yousefabadi Faezeh Faez Amirmojtaba Sabour M. Baghshah Hamid R. Rabiee GNN CML BDL 34 4 0 07 Oct 2021
Top-N: Equivariant set and graph generation without exchangeability Clément Vignac P. Frossard BDL 71 34 0 05 Oct 2021
Deep Generative Models to Extend Active Directory Graphs with Honeypot Users Ondrej Lukás S. Garcia 30 7 0 13 Sep 2021
Local Augmentation for Graph Neural Networks Songtao Liu Rex Ying Hanze Dong Lanqing Li Tingyang Xu Yu Rong P. Zhao Junzhou Huang Dinghao Wu 45 91 0 08 Sep 2021
Unconditional Scene Graph Generation Sarthak Garg Helisa Dhamo Azade Farshad Sabrina Musatian Nassir Navab F. Tombari 10 23 0 12 Aug 2021
Geometric Deep Learning on Molecular Representations Kenneth Atz F. Grisoni G. Schneider AI4CE 34 287 0 26 Jul 2021
GraphGen-Redux: a Fast and Lightweight Recurrent Model for labeled Graph Generation Marco Podda D. Bacciu BDL 27 9 0 18 Jul 2021
Multi-modal Graph Learning for Disease Prediction Shuai Zheng Zhenfeng Zhu Zhizhe Liu Zhenyu Guo Yang Liu Yao Zhao 26 97 0 01 Jul 2021
Geometric learning of the conformational dynamics of molecules using dynamic graph neural networks Michael Ashby Jenna A. Bilbrey 25 4 0 24 Jun 2021
Graph Context Encoder: Graph Feature Inpainting for Graph Generation and Self-supervised Pretraining Oriel Frigo Rémy Brossard David Dehaene 37 1 0 18 Jun 2021
Score-based Generative Modeling in Latent Space Arash Vahdat Karsten Kreis Jan Kautz DiffM 16 659 0 10 Jun 2021
Artificial Intelligence in Drug Discovery: Applications and Techniques Jianyuan Deng Zhibo Yang Iwao Ojima Dimitris Samaras Fusheng Wang AI4TS 23 100 0 09 Jun 2021
E(n) Equivariant Normalizing Flows Victor Garcia Satorras Emiel Hoogeboom F. Fuchs Ingmar Posner Max Welling BDL 37 168 0 19 May 2021
E(n) Equivariant Graph Neural Networks Victor Garcia Satorras Emiel Hoogeboom Max Welling 30 979 0 19 Feb 2021
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 185 187 0 01 Feb 2021
Deep Evolutionary Learning for Molecular Design Yifeng Li H. K. Ooi A. Tchagang 27 14 0 28 Dec 2020
Barking up the right tree: an approach to search over molecule synthesis DAGs John Bradshaw Brooks Paige Matt J. Kusner Marwin H. S. Segler José Miguel Hernández-Lobato 51 56 0 21 Dec 2020
Graph Neural Networks: Taxonomy, Advances and Trends Yu Zhou Haixia Zheng Xin Huang Shufeng Hao Dengao Li Jumin Zhao AI4TS 25 115 0 16 Dec 2020
Road Scene Graph: A Semantic Graph-Based Scene Representation Dataset for Intelligent Vehicles Yafu Tian Alexander Carballo Ruifeng Li K. Takeda GNN 23 27 0 27 Nov 2020
Generating 3D Molecular Structures Conditional on a Receptor Binding Site with Deep Generative Models Tomohide Masuda Matthew Ragoza D. Koes DiffM 37 52 0 16 Oct 2020
A Systematic Survey on Deep Generative Models for Graph Generation Xiaojie Guo Liang Zhao MedIm 44 147 0 13 Jul 2020
MoFlow: An Invertible Flow Model for Generating Molecular Graphs Chengxi Zang Fei-Yue Wang BDL 28 280 0 17 Jun 2020
Categorical Normalizing Flows via Continuous Transformations Phillip Lippe E. Gavves BDL 21 43 0 17 Jun 2020