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"

27 / 27 papers shown

Title
An Information-Theoretic Regularizer for Lossy Neural Image Compression Y. Zhang Meng Wang Xihua Sheng Peilin Chen Junru Li L. Zhang S. Wang 151 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 31 5 0 04 Apr 2024
Overcoming Order in Autoregressive Graph Generation Edo Cohen-Karlik Eyal Rozenberg Daniel Freedman 30 1 0 04 Feb 2024
Interpreting Equivariant Representations Andreas Abildtrup Hansen Anna Calissano Aasa Feragen 45 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 16 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 19 0 16 Aug 2023
Fast Graph Generation via Spectral Diffusion Tianze Luo Zhanfeng Mo Sinno Jialin Pan DiffM 13 22 0 16 Nov 2022
Micro and Macro Level Graph Modeling for Graph Variational Auto-Encoders Kiarash Zahirnia Oliver Schulte Parmis Naddaf Ke Li 27 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 29 28 0 19 Jul 2022
LIMO: Latent Inceptionism for Targeted Molecule Generation Peter Eckmann Kunyang Sun Bo-Lu Zhao Mudong Feng Michael K. Gilson Rose Yu BDL 32 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 28 47 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 A. Young Rose Yu A. Aspuru‐Guzik 22 147 0 31 Mar 2022
Deep Graph Learning for Anomalous Citation Detection Jiaying Liu Feng Xia Xu Feng Jing Ren Huan Liu 22 40 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 22 210 0 05 Feb 2022
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 171 187 0 01 Feb 2021
A Systematic Survey on Deep Generative Models for Graph Generation Xiaojie Guo Liang Zhao MedIm 35 145 0 13 Jul 2020
Categorical Normalizing Flows via Continuous Transformations Phillip Lippe E. Gavves BDL 13 43 0 17 Jun 2020
Graph Deconvolutional Generation Daniel Flam-Shepherd Tony C Wu Alán Aspuru-Guzik BDL 17 31 0 14 Feb 2020
GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation Chence Shi Minkai Xu Zhaocheng Zhu Weinan Zhang Ming Zhang Jian Tang 41 425 0 26 Jan 2020
CORE: Automatic Molecule Optimization Using Copy & Refine Strategy Tianfan Fu Cao Xiao Jimeng Sun 20 63 0 23 Nov 2019
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation Mario Krenn Florian Hase AkshatKumar Nigam Pascal Friederich Alán Aspuru-Guzik 6 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 21 196 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 34 626 0 29 Mar 2019
Learning to Sample Hard Instances for Graph Algorithms Ryoma Sato M. Yamada H. Kashima 11 1 0 26 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 150 8,342 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 28 5,397 0 20 Dec 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 219 1,337 0 12 Feb 2018