Constrained Generation of Semantically Valid Graphs via Regularizing Variational Autoencoders

7 September 2018

Papers citing "Constrained Generation of Semantically Valid Graphs via Regularizing Variational Autoencoders"

37 / 37 papers shown

Title
An Information-Theoretic Regularizer for Lossy Neural Image Compression Yanmei Zhang Meng Wang Xihua Sheng Peilin Chen Junru Li Li Zhang S. Wang 224 0 0 23 Nov 2024
GP-MoLFormer: A Foundation Model For Molecular Generation Jerret Ross Brian M. Belgodere Samuel C. Hoffman Vijil Chenthamarakshan Youssef Mroueh Payel Das Payel Das 38 5 0 04 Apr 2024
Overcoming Order in Autoregressive Graph Generation Edo Cohen-Karlik Eyal Rozenberg Daniel Freedman 36 1 0 04 Feb 2024
Interpreting Equivariant Representations Andreas Abildtrup Hansen Anna Calissano Aasa Feragen 58 1 0 23 Jan 2024
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network Akihiro Kishimoto Hiroshi Kajino Masataka Hirose Junta Fuchiwaki Indra Priyadarsini Lisa Hamada Hajime Shinohara D. Nakano Seiji Takeda AI4CE 39 4 0 28 Sep 2023
The Expressive Power of Graph Neural Networks: A Survey Bingxue Zhang Changjun Fan Shixuan Liu Kuihua Huang Xiang Zhao Jin-Yu Huang Zhong Liu 40 20 0 16 Aug 2023
An Equivariant Generative Framework for Molecular Graph-Structure Co-Design Zaixin Zhang Qi Liu Cheekong Lee Chang-Yu Hsieh Enhong Chen 29 18 0 12 Apr 2023
Molecular design method based on novel molecular representation and variational auto-encoder Li Kai Liu Ning Z. Wei Gao Ming DRL 17 2 0 20 Feb 2023
Frugal Reinforcement-based Active Learning Sebastien Deschamps H. Sahbi 16 0 0 09 Dec 2022
Fast Graph Generation via Spectral Diffusion Tianze Luo Zhanfeng Mo Sinno Jialin Pan DiffM 13 23 0 16 Nov 2022
Micro and Macro Level Graph Modeling for Graph Variational Auto-Encoders Kiarash Zahirnia Oliver Schulte Parmis Naddaf Ke Li 45 10 0 30 Oct 2022
Controllable Data Generation by Deep Learning: A Review Shiyu Wang Yuanqi Du Xiaojie Guo Bo Pan Zhaohui Qin Liang Zhao 33 28 0 19 Jul 2022
LIMO: Latent Inceptionism for Targeted Molecule Generation Peter Eckmann Kunyang Sun Bo Zhao Mudong Feng Michael K. Gilson Rose Yu BDL 43 44 0 17 Jun 2022
3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design Yinan Huang Xing Peng Jianzhu Ma Muhan Zhang BDL 35 48 0 15 May 2022
SELFIES and the future of molecular string representations Mario Krenn Qianxiang Ai Senja Barthel Nessa Carson Angelo Frei ... Andrew Wang Andrew D. White Adamo Young Rose Yu A. Aspuru‐Guzik 38 149 0 31 Mar 2022
Deep Graph Learning for Anomalous Citation Detection Jiaying Liu Feng Xia Xu Feng Jing Ren Huan Liu 24 41 0 23 Feb 2022
Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations Jaehyeong Jo Seul Lee Sung Ju Hwang DiffM 22 211 0 05 Feb 2022
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 42 4 0 07 Oct 2021
Artificial Intelligence in Drug Discovery: Applications and Techniques Jianyuan Deng Zhibo Yang Iwao Ojima Dimitris Samaras Fusheng Wang AI4TS 42 100 0 09 Jun 2021
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 185 188 0 01 Feb 2021
A Systematic Survey on Deep Generative Models for Graph Generation Xiaojie Guo Liang Zhao MedIm 46 147 0 13 Jul 2020
MoFlow: An Invertible Flow Model for Generating Molecular Graphs Chengxi Zang Fei 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
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 26 279 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 29 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 66 426 0 26 Jan 2020
CORE: Automatic Molecule Optimization Using Copy & Refine Strategy Tianfan Fu Cao Xiao Jimeng Sun 31 63 0 23 Nov 2019
Efficient Graph Generation with Graph Recurrent Attention Networks Renjie Liao Yujia Li Yang Song Shenlong Wang C. Nash William L. Hamilton David Duvenaud R. Urtasun R. Zemel GNN 28 326 0 02 Oct 2019
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation Mario Krenn Florian Hase AkshatKumar Nigam Pascal Friederich Alán Aspuru-Guzik 18 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 32 196 0 24 Apr 2019
Informed Machine Learning -- A Taxonomy and Survey of Integrating Knowledge into Learning Systems Laura von Rueden S. Mayer Katharina Beckh B. Georgiev Sven Giesselbach ... Rajkumar Ramamurthy Michal Walczak Jochen Garcke Christian Bauckhage Jannis Schuecker 39 626 0 29 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 34 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 163 8,385 0 03 Jan 2019
Graph Neural Networks: A Review of Methods and Applications Jie Zhou Ganqu Cui Shengding Hu Zhengyan Zhang Cheng Yang Zhiyuan Liu Lifeng Wang Changcheng Li Maosong Sun AI4CE GNN 33 5,406 0 20 Dec 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 239 1,340 0 12 Feb 2018