Overcoming Order in Autoregressive Graph Generation

4 February 2024

Papers citing "Overcoming Order in Autoregressive Graph Generation"

44 / 44 papers shown

Title
Size Matters: Large Graph Generation with HiGGs Alex O. Davies Nirav Ajmeri Telmo de Menezes e Silva Filho 71 3 0 20 Jun 2023
Let There Be Order: Rethinking Ordering in Autoregressive Graph Generation Jie Bu Kazi Sajeed Mehrab Anuj Karpatne 74 3 0 24 May 2023
Equivariant Diffusion for Molecule Generation in 3D Emiel Hoogeboom Victor Garcia Satorras Clément Vignac Max Welling DiffM 123 608 0 31 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 105 73 0 13 Mar 2022
Generative Adversarial Networks Gilad Cohen Raja Giryes GAN 280 30,103 0 01 Mar 2022
Disentangled Spatiotemporal Graph Generative Models Yuanqi Du Xiaojie Guo Hengning Cao Yanfang Ye Liang Zhao 87 21 0 28 Feb 2022
Interpretable Molecular Graph Generation via Monotonic Constraints Yuanqi Du Xiaojie Guo Amarda Shehu Liang Zhao 93 19 0 28 Feb 2022
Keeping it Simple: Language Models can learn Complex Molecular Distributions Daniel Flam-Shepherd Kevin Zhu A. Aspuru‐Guzik 207 148 0 06 Dec 2021
Inverse design of 3d molecular structures with conditional generative neural networks Niklas W. A. Gebauer M. Gastegger Stefaan S. P. Hessmann Klaus-Robert Muller Kristof T. Schütt AI4CE 225 173 0 10 Sep 2021
Evaluating Large Language Models Trained on Code Mark Chen Jerry Tworek Heewoo Jun Qiming Yuan Henrique Pondé ... Bob McGrew Dario Amodei Sam McCandlish Ilya Sutskever Wojciech Zaremba ELM ALM 231 5,539 0 07 Jul 2021
Order Matters: Probabilistic Modeling of Node Sequence for Graph Generation Xiaohui Chen Xu Han Jiajing Hu Francisco J. R. Ruiz Liping Liu BDL 43 35 0 11 Jun 2021
Regularizing Towards Permutation Invariance in Recurrent Models Edo Cohen-Karlik Avichai Ben David Amir Globerson OOD 89 16 0 25 Oct 2020
A Systematic Survey on Deep Generative Models for Graph Generation Xiaojie Guo Liang Zhao MedIm 93 150 0 13 Jul 2020
MoFlow: An Invertible Flow Model for Generating Molecular Graphs Chengxi Zang Fei Wang BDL 122 293 0 17 Jun 2020
A Deep Generative Model for Fragment-Based Molecule Generation Marco Podda D. Bacciu Alessio Micheli VLM BDL 60 52 0 28 Feb 2020
Reinforcement Learning for Molecular Design Guided by Quantum Mechanics G. Simm Robert Pinsler José Miguel Hernández-Lobato AI4CE 64 85 0 18 Feb 2020
Graph Deconvolutional Generation Daniel Flam-Shepherd Tony C Wu Alán Aspuru-Guzik BDL 136 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 168 438 0 26 Jan 2020
GraphGen: A Scalable Approach to Domain-agnostic Labeled Graph Generation Nikhil Goyal Harsh Jain Sayan Ranu 45 92 0 22 Jan 2020
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 136 335 0 02 Oct 2019
Graph Residual Flow for Molecular Graph Generation Shion Honda Hirotaka Akita Katsuhiko Ishiguro Toshiki Nakanishi Kenta Oono 55 42 0 30 Sep 2019
Labeled Graph Generative Adversarial Networks Shuangfei Fan Bert Huang GAN 54 30 0 07 Jun 2019
GraphNVP: An Invertible Flow Model for Generating Molecular Graphs Kaushalya Madhawa Katushiko Ishiguro Kosuke Nakago Motoki Abe BDL 106 192 0 28 May 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 1.1K 5,517 0 20 Dec 2018
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 259 651 0 29 Nov 2018
DEFactor: Differentiable Edge Factorization-based Probabilistic Graph Generation Rim Assouel Mohamed Ahmed Marwin H. S. Segler Amir Saffari Yoshua Bengio 67 55 0 24 Nov 2018
Janossy Pooling: Learning Deep Permutation-Invariant Functions for Variable-Size Inputs R. Murphy Balasubramaniam Srinivasan Vinayak A. Rao Yun Liang 111 190 0 05 Nov 2018
Constrained Generation of Semantically Valid Graphs via Regularizing Variational Autoencoders Tengfei Ma Jie Chen Cao Xiao 121 209 0 07 Sep 2018
Molecular generative model based on conditional variational autoencoder for de novo molecular design Jaechang Lim Seongok Ryu Jin Woo Kim W. Kim BDL DRL 60 333 0 15 Jun 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 287 902 0 07 Jun 2018
Conditional molecular design with deep generative models Seokho Kang Kyunghyun Cho BDL 226 182 0 30 Apr 2018
Fréchet ChemNet Distance: A metric for generative models for molecules in drug discovery Kristina Preuer Philipp Renz Thomas Unterthiner Sepp Hochreiter Günter Klambauer MedIm 96 338 0 26 Mar 2018
GaAN: Gated Attention Networks for Learning on Large and Spatiotemporal Graphs Jiani Zhang Xingjian Shi Junyuan Xie Hao Ma Irwin King Dit-Yan Yeung GNN 106 573 0 20 Mar 2018
Syntax-Directed Variational Autoencoder for Structured Data H. Dai Yingtao Tian Bo Dai Steven Skiena Le Song 102 329 0 24 Feb 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 352 1,368 0 12 Feb 2018
GraphVAE: Towards Generation of Small Graphs Using Variational Autoencoders M. Simonovsky N. Komodakis GNN BDL 117 850 0 09 Feb 2018
Application of generative autoencoder in de novo molecular design T. Blaschke Marcus Olivecrona Ola Engkvist J. Bajorath Hongming Chen AI4CE 99 344 0 21 Nov 2017
Learning to Represent Programs with Graphs Miltiadis Allamanis Marc Brockschmidt Mahmoud Khademi GNN NAI 123 803 0 01 Nov 2017
Graph Attention Networks Petar Velickovic Guillem Cucurull Arantxa Casanova Adriana Romero Pietro Lio Yoshua Bengio GNN 479 20,164 0 30 Oct 2017
Deep Sets Manzil Zaheer Satwik Kottur Siamak Ravanbakhsh Barnabás Póczós Ruslan Salakhutdinov Alex Smola 408 2,464 0 10 Mar 2017
Scene Graph Generation by Iterative Message Passing Danfei Xu Yuke Zhu Chris Choy Li Fei-Fei GNN 3DV 88 1,222 0 10 Jan 2017
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 164 2,932 0 07 Oct 2016
Deep Unsupervised Learning using Nonequilibrium Thermodynamics Jascha Narain Sohl-Dickstein Eric A. Weiss Niru Maheswaranathan Surya Ganguli SyDa DiffM 301 6,949 0 12 Mar 2015
Empirical Evaluation of Gated Recurrent Neural Networks on Sequence Modeling Junyoung Chung Çağlar Gülçehre Kyunghyun Cho Yoshua Bengio 591 12,713 0 11 Dec 2014