Syntax-Directed Variational Autoencoder for Structured Data

24 February 2018

Steven Skiena

Papers citing "Syntax-Directed Variational Autoencoder for Structured Data"

50 / 172 papers shown

Title
Attribute Propagation Network for Graph Zero-shot Learning Lu Liu Dinesh Manocha Guodong Long Jing Jiang Chengqi Zhang VLM 82 75 0 24 Sep 2020
Generate Novel Molecules With Target Properties Using Conditional Generative Models Abhinav Sagar 48 0 0 15 Sep 2020
Conditional Constrained Graph Variational Autoencoders for Molecule Design Davide Rigoni Nicoló Navarin A. Sperduti BDL 91 18 0 01 Sep 2020
A Systematic Assessment of Deep Learning Models for Molecule Generation Davide Rigoni Nicoló Navarin A. Sperduti 42 6 0 20 Aug 2020
Meta-Sim2: Unsupervised Learning of Scene Structure for Synthetic Data Generation Jeevan Devaranjan Amlan Kar Sanja Fidler 76 89 0 20 Aug 2020
A Systematic Survey on Deep Generative Models for Graph Generation Xiaojie Guo Liang Zhao MedIm 157 150 0 13 Jul 2020
Guiding Deep Molecular Optimization with Genetic Exploration SungSoo Ahn Junsup Kim Hankook Lee Jinwoo Shin 103 76 0 04 Jul 2020
Scalable Deep Generative Modeling for Sparse Graphs H. Dai Azade Nazi Yujia Li Bo Dai Dale Schuurmans BDL 84 79 0 28 Jun 2020
MoFlow: An Invertible Flow Model for Generating Molecular Graphs Chengxi Zang Fei Wang BDL 139 297 0 17 Jun 2020
Sample-Efficient Optimization in the Latent Space of Deep Generative Models via Weighted Retraining Austin Tripp Erik A. Daxberger José Miguel Hernández-Lobato MedIm 103 142 0 16 Jun 2020
GEOM: Energy-annotated molecular conformations for property prediction and molecular generation Simon Axelrod Rafael Gómez-Bombarelli 3DV AI4CE 120 222 0 09 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 123 46 0 09 Jun 2020
Tree Echo State Autoencoders with Grammars Benjamin Paassen I. Koprinska K. Yacef 38 2 0 19 Apr 2020
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models Vijil Chenthamarakshan Payel Das Samuel C. Hoffman Hendrik Strobelt Inkit Padhi ... Benjamin Hoover Matteo Manica Jannis Born Teodoro Laino Aleksandra Mojsilović 94 41 0 02 Apr 2020
A Deep Generative Model for Fragment-Based Molecule Generation Marco Podda D. Bacciu Alessio Micheli VLM BDL 66 52 0 28 Feb 2020
Reinforcement Learning for Molecular Design Guided by Quantum Mechanics G. Simm Robert Pinsler José Miguel Hernández-Lobato AI4CE 92 85 0 18 Feb 2020
Graph Deconvolutional Generation Daniel Flam-Shepherd Tony C Wu Alán Aspuru-Guzik BDL 152 31 0 14 Feb 2020
Multi-Objective Molecule Generation using Interpretable Substructures Wengong Jin Regina Barzilay Tommi Jaakkola 89 23 0 08 Feb 2020
Hierarchical Generation of Molecular Graphs using Structural Motifs Wengong Jin Regina Barzilay Tommi Jaakkola 108 289 0 08 Feb 2020
Machine learning and AI-based approaches for bioactive ligand discovery and GPCR-ligand recognition S. Raschka Benjamin Kaufman AI4CE 81 67 0 17 Jan 2020
Auto Completion of User Interface Layout Design Using Transformer-Based Tree Decoders Yang Li J. Amelot Xin Zhou Samy Bengio Si Si 3DV 38 14 0 14 Jan 2020
Black Box Recursive Translations for Molecular Optimization Farhan N. Damani Vishnu Sresht Stephen Ra 54 5 0 21 Dec 2019
Bayesian Variational Autoencoders for Unsupervised Out-of-Distribution Detection Erik A. Daxberger José Miguel Hernández-Lobato UQCV 103 63 0 11 Dec 2019
CORE: Automatic Molecule Optimization Using Copy & Refine Strategy Tianfan Fu Cao Xiao Jimeng Sun 126 69 0 23 Nov 2019
Multiple-objective Reinforcement Learning for Inverse Design and Identification Haoran Wei Mariefel V. Olarte Garrett B. Goh AI4CE 36 3 0 09 Oct 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 158 340 0 02 Oct 2019
Re-balancing Variational Autoencoder Loss for Molecule Sequence Generation Chao-chao Yan Sheng Wang Jinyu Yang Tingyang Xu Junzhou Huang DRL 66 33 0 01 Oct 2019
A Generative Model for Molecular Distance Geometry G. Simm José Miguel Hernández-Lobato GAN 108 108 0 25 Sep 2019
Deep Generative Model for Sparse Graphs using Text-Based Learning with Augmentation in Generative Examination Networks R. V. Deursen Guillaume Godin 29 1 0 24 Sep 2019
Text Modeling with Syntax-Aware Variational Autoencoders Yijun Xiao William Yang Wang BDL DRL 39 1 0 27 Aug 2019
Discrete Object Generation with Reversible Inductive Construction Ari Seff Wenda Zhou Farhan N. Damani A. Doyle Ryan P. Adams 64 30 0 18 Jul 2019
Generating Sentences from Disentangled Syntactic and Semantic Spaces Yu Bao Hao Zhou Shujian Huang Lei Li Lili Mou Olga Vechtomova Xinyu Dai Jiajun Chen DRL 73 107 0 06 Jul 2019
Generative Models for Automatic Chemical Design Daniel Schwalbe-Koda Rafael Gómez-Bombarelli MedIm AI4CE 87 81 0 02 Jul 2019
Mixed-Variable Bayesian Optimization Erik A. Daxberger Anastasia Makarova M. Turchetta Andreas Krause 90 51 0 02 Jul 2019
A Model to Search for Synthesizable Molecules John Bradshaw Brooks Paige Matt J. Kusner Marwin H. S. Segler José Miguel Hernández-Lobato 80 109 0 12 Jun 2019
Hierarchical Graph-to-Graph Translation for Molecules Wengong Jin Regina Barzilay Tommi Jaakkola 55 16 0 11 Jun 2019
A Two-Step Graph Convolutional Decoder for Molecule Generation Xavier Bresson T. Laurent 78 61 0 08 Jun 2019
Probabilistic hypergraph grammars for efficient molecular optimization E. Kraev Mark Harley 29 1 0 05 Jun 2019
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules Niklas W. A. Gebauer M. Gastegger Kristof T. Schütt 162 211 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 116 71 0 31 May 2019
All SMILES Variational Autoencoder Zaccary Alperstein Artem Cherkasov J. Rolfe DRL 74 38 0 30 May 2019
Adversarial Learned Molecular Graph Inference and Generation Sebastian Polsterl Christian Wachinger GAN 122 7 0 24 May 2019
Explainable Machine Learning for Scientific Insights and Discoveries R. Roscher B. Bohn Marco F. Duarte Jochen Garcke XAI 120 677 0 21 May 2019
Embeddings and Representation Learning for Structured Data Benjamin Paassen Claudio Gallicchio Alessio Micheli A. Sperduti 46 7 0 15 May 2019
Prototype Propagation Networks (PPN) for Weakly-supervised Few-shot Learning on Category Graph Lu Liu Dinesh Manocha Guodong Long Jing Jiang Lina Yao Chengqi Zhang 106 72 0 10 May 2019
D-VAE: A Variational Autoencoder for Directed Acyclic Graphs Muhan Zhang Shali Jiang Zhicheng Cui Roman Garnett Yixin Chen GNN BDL CML 118 203 0 24 Apr 2019
Decoding Molecular Graph Embeddings with Reinforcement Learning S. Kearnes Li Li Patrick F. Riley OffRL GNN 50 27 0 18 Apr 2019
Deep learning for molecular design - a review of the state of the art Daniel C. Elton Zois Boukouvalas M. Fuge Peter W. Chung AI4CE 3DV 103 328 0 11 Mar 2019
Probabilistic Generative Deep Learning for Molecular Design Daniel T. Chang BDL AI4CE 67 7 0 11 Feb 2019
Mol-CycleGAN - a generative model for molecular optimization Łukasz Maziarka Agnieszka Pocha Jan Kaczmarczyk Krzysztof Rataj M. Warchoł 79 250 0 06 Feb 2019