Conditional Diffusion Based on Discrete Graph Structures for Molecular
Graph Generation

Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation

1 January 2023

Papers citing "Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation"

15 / 15 papers shown

Title
Graph ODEs and Beyond: A Comprehensive Survey on Integrating Differential Equations with Graph Neural Networks Z. Liu Xiaoda Wang Bohan Wang Zijie Huang Carl Yang Wei-dong Jin AI4TS AI4CE 39 0 0 29 Mar 2025
Towards Unified Latent Space for 3D Molecular Latent Diffusion Modeling Yanchen Luo Zhiyuan Liu Yi Zhao Sihang Li Kenji Kawaguchi Tat-Seng Chua X. Wang MedIm 57 0 0 19 Mar 2025
NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation Zhiyuan Liu Yanchen Luo Han Huang Enzhi Zhang Sihang Li Junfeng Fang Yaorui Shi X. Wang Kenji Kawaguchi Tat-Seng Chua 87 3 0 18 Feb 2025
HOG-Diff: Higher-Order Guided Diffusion for Graph Generation Yiming Huang Tolga Birdal DiffM 70 0 0 06 Feb 2025
Efficient and Trustworthy Block Propagation for Blockchain-enabled Mobile Embodied AI Networks: A Graph Resfusion Approach Jiawen Kang Jiana Liao Runquan Gao Jinbo Wen Huawei Huang Maomao Zhang Changyan Yi Tao Zhang Dusit Niyato Zibin Zheng 50 0 0 26 Jan 2025
DiffGAD: A Diffusion-based Unsupervised Graph Anomaly Detector Jinghan Li Yuan Gao Jinda Lu Junfeng Fang Congcong Wen Hui Lin Xiang Wang 32 0 0 09 Oct 2024
Discrete Copula Diffusion Anji Liu Oliver Broadrick Mathias Niepert Guy Van den Broeck DiffM 37 4 0 02 Oct 2024
Fragment-Masked Molecular Optimization Kun Li Xiantao Cai Jia Wu Bo Du Wenbin Hu 20 0 0 17 Aug 2024
Improving Small Molecule Generation using Mutual Information Machine Daniel A. Reidenbach M. Livne Rajesh Ilango M. Gill Johnny Israeli 6 14 0 18 Aug 2022
On Evaluation Metrics for Graph Generative Models Rylee Thompson Boris Knyazev Elahe Ghalebi Jungtaek Kim Graham W. Taylor EGVM 32 31 0 24 Jan 2022
Top-N: Equivariant set and graph generation without exchangeability Clément Vignac P. Frossard BDL 50 34 0 05 Oct 2021
Argmax Flows and Multinomial Diffusion: Learning Categorical Distributions Emiel Hoogeboom Didrik Nielsen P. Jaini Patrick Forré Max Welling DiffM 191 392 0 10 Feb 2021
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 157 185 0 01 Feb 2021
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 181 878 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 208 1,205 0 12 Feb 2018