Syntax-Directed Variational Autoencoder for Structured Data

24 February 2018

Steven Skiena

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

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Title
Heterophily-informed Message Passing Haishan Wang Arno Solin Vikas Garg 128 0 0 28 Apr 2025
Inversion-based Latent Bayesian Optimization Jaewon Chu Jinyoung Park Seunghun Lee H. Kim BDL 32 4 0 08 Nov 2024
Pathway-Guided Optimization of Deep Generative Molecular Design Models for Cancer Therapy Alif Bin Abdul Qayyum S. Mertins Amanda K. Paulson Nathan M. Urban Byung-Jun Yoon 69 0 0 05 Nov 2024
GraphXForm: Graph transformer for computer-aided molecular design Jonathan Pirnay Jan G. Rittig Alexander B. Wolf Martin Grohe Jakob Burger Alexander Mitsos D. G. Grimm AI4CE 159 1 0 03 Nov 2024
Text-guided Diffusion Model for 3D Molecule Generation Yanchen Luo Sihang Li Changhao Nai Zhiyuan Liu Jiancan Wu An Zhang Wenjie Du Xiang Wang 79 7 0 04 Oct 2024
G2T-LLM: Graph-to-Tree Text Encoding for Molecule Generation with Fine-Tuned Large Language Models Zhaoning Yu Xiangyang Xu Hongyang Gao 60 2 0 03 Oct 2024
When Molecular GAN Meets Byte-Pair Encoding Huidong Tang Chen Li Yasuhiko Morimoto 62 0 0 29 Sep 2024
Improved Image Classification with Manifold Neural Networks Caio F. Deberaldini Netto Zhiyang Wang Luana Ruiz AI4CE 68 0 0 19 Sep 2024
Rethinking Molecular Design: Integrating Latent Variable and Auto-Regressive Models for Goal Directed Generation Heath Arthur-Loui Amina Mollaysa Michael Krauthammer BDL AI4CE 66 0 0 19 Aug 2024
Instruction-Based Molecular Graph Generation with Unified Text-Graph Diffusion Model Yuran Xiang Haiteng Zhao Chang Ma Zhi-Hong Deng 76 1 0 19 Aug 2024
Leveraging Latent Evolutionary Optimization for Targeted Molecule Generation Siddartha Reddy N Sai Prakash MV V. Varun Vishal Vaddina Saisubramaniam Gopalakrishnan 92 0 0 02 Jul 2024
Data-Efficient Molecular Generation with Hierarchical Textual Inversion Seojin Kim Jaehyun Nam Sihyun Yu Younghoon Shin Jinwoo Shin 112 3 0 05 May 2024
Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule Generation Ian Dunn D. Koes BDL DiffM 95 15 0 30 Apr 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 96 7 0 04 Apr 2024
A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein Generation Xiangru Tang Howard Dai Elizabeth Knight Fang Wu Yunyang Li Tianxiao Li Mark B. Gerstein 96 31 0 13 Feb 2024
Overcoming Order in Autoregressive Graph Generation Edo Cohen-Karlik Eyal Rozenberg Daniel Freedman 75 1 0 04 Feb 2024
Graph-Induced Syntactic-Semantic Spaces in Transformer-Based Variational AutoEncoders Yingji Zhang Marco Valentino Danilo S. Carvalho Ian Pratt-Hartmann André Freitas DRL 76 7 0 14 Nov 2023
Advancing Bayesian Optimization via Learning Correlated Latent Space Seunghun Lee Jaewon Chu S. Kim Juyeon Ko Hyunwoo J. Kim BDL 134 8 0 31 Oct 2023
Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction Minghao Guo Veronika Thost Samuel W Song A. Balachandran Payel Das Jie Chen Wojciech Matusik AI4CE 69 0 0 04 Sep 2023
Objective-Agnostic Enhancement of Molecule Properties via Multi-Stage VAE Chenghui Zhou Barnabás Póczós 66 2 0 24 Aug 2023
Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning Haoxiang Luo Gang Sun 72 2 0 02 Aug 2023
Empowering Molecule Discovery for Molecule-Caption Translation with Large Language Models: A ChatGPT Perspective Jiatong Li Yunqing Liu Wenqi Fan Xiao Wei Hui Liu Jiliang Tang Qing Li 98 95 0 11 Jun 2023
Grammar Prompting for Domain-Specific Language Generation with Large Language Models Bailin Wang Zi Wang Xuezhi Wang Yuan Cao Rif A. Saurous Yoon Kim ReLM LRM 117 59 0 30 May 2023
RGCVAE: Relational Graph Conditioned Variational Autoencoder for Molecule Design Davide Rigoni Nicoló Navarin A. Sperduti BDL 42 2 0 19 May 2023
Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D Yiran Zhou Yuxuan Song Minkai Xu Jingjing Gong B. Gao Hao Zhou Weiying Ma Yanyan Lan DiffM 107 18 0 05 May 2023
High-Dimensional Bayesian Optimization via Semi-Supervised Learning with Optimized Unlabeled Data Sampling Y. Yin Yu Wang Gang Xu 104 4 0 04 May 2023
Modeling and design of heterogeneous hierarchical bioinspired spider web structures using generative deep learning and additive manufacturing Wei Lu Nicolas A. Lee Markus J. Buehler AI4CE 59 1 0 11 Apr 2023
A Comprehensive Survey of AI-Generated Content (AIGC): A History of Generative AI from GAN to ChatGPT Yihan Cao Siyu Li Yixin Liu Zhiling Yan Yutong Dai Philip S. Yu Lichao Sun 105 554 0 07 Mar 2023
GraphVF: Controllable Protein-Specific 3D Molecule Generation with Variational Flow Fangce Sun Zhihao Zhan Hongyu Guo Ming Zhang Jian Tang 73 6 0 23 Feb 2023
Efficient Generator of Mathematical Expressions for Symbolic Regression Sebastian Mežnar Jannis Brugger L. Todorovski 75 13 0 20 Feb 2023
Knowledge-augmented Graph Machine Learning for Drug Discovery: A Survey from Precision to Interpretability Zhiqiang Zhong A. Barkova Davide Mottin 85 8 0 16 Feb 2023
3D Molecular Generation via Virtual Dynamics Shuqi Lu Lin Yao X. Chen Hang Zheng Di He Guolin Ke DiffM 61 7 0 12 Feb 2023
Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation Han Huang Leilei Sun Bowen Du Weifeng Lv 127 43 0 01 Jan 2023
Improving Molecule Properties Through 2-Stage VAE Chenghui Zhou Barnabás Póczós DRL 78 1 0 06 Dec 2022
An open unified deep graph learning framework for discovering drug leads Yueming Yin Haifeng Hu Zhen Yang Jitao Yang Chun Jimmie Ye Jiansheng Wu W. Goh 75 0 0 06 Dec 2022
Learning Markov Random Fields for Combinatorial Structures via Sampling through Lovász Local Lemma Nan Jiang Yi Gu Yexiang Xue 48 0 0 01 Dec 2022
An efficient graph generative model for navigating ultra-large combinatorial synthesis libraries Aryan Pedawi P. Gniewek Chao-Ling Chang Brandon M. Anderson H. V. D. Bedem 70 5 0 19 Oct 2022
Modular Flows: Differential Molecular Generation Yogesh Verma Samuel Kaski Markus Heinonen Vikas Garg 88 14 0 12 Oct 2022
Equivariant Energy-Guided SDE for Inverse Molecular Design Fan Bao Min Zhao Zhongkai Hao Pei‐Yun Li Chongxuan Li Jun Zhu DiffM 272 67 0 30 Sep 2022
GLSO: Grammar-guided Latent Space Optimization for Sample-efficient Robot Design Automation Jiaheng Hu Julian Whiman Howie Choset 85 16 0 23 Sep 2022
Probabilistic Generative Transformer Language models for Generative Design of Molecules Lai Wei Nihang Fu Yuqi Song Qian Wang Jianjun Hu AI4CE 82 12 0 20 Sep 2022
MDM: Molecular Diffusion Model for 3D Molecule Generation Lei Huang Hengtong Zhang Tingyang Xu Ka-Chun Wong DiffM 106 87 0 13 Sep 2022
A Molecular Multimodal Foundation Model Associating Molecule Graphs with Natural Language Fuchun Sun Dazhao Du Zhao-Qing Yang Yujie Zhou Jiangmeng Li Anyi Rao Haoran Sun Zhiwu Lu Ji-Rong Wen 142 113 0 12 Sep 2022
Large-Scale Auto-Regressive Modeling Of Street Networks Michael Birsak Tom Kelly W. Para Peter Wonka GNN AI4TS 28 6 0 01 Sep 2022
String-based Molecule Generation via Multi-decoder VAE Kisoo Kwon Kuhwan Jung Jung-Geun Park Hwidong Na Jinwoo Shin DRL 50 2 0 23 Aug 2022
Semi-Supervised Junction Tree Variational Autoencoder for Molecular Property Prediction Atia Hamidizadeh Tony Shen Martin Ester DRL 126 0 0 10 Aug 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 125 419 0 05 Aug 2022
LIMO: Latent Inceptionism for Targeted Molecule Generation Peter Eckmann Kunyang Sun Bo Zhao Mudong Feng Michael K. Gilson Rose Yu BDL 99 49 0 17 Jun 2022
Exploring Representation of Horn Clauses using GNNs (Extended Technical Report) Chencheng Liang P. Rümmer Marc Brockschmidt 61 1 0 14 Jun 2022
Graph Machine Learning for Design of High-Octane Fuels Jan G. Rittig Martin Ritzert Artur M. Schweidtmann Stefanie Winkler Jana M. Weber P. Morsch K. Heufer Martin Grohe Alexander Mitsos Manuel Dahmen 76 24 0 01 Jun 2022