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Graph Residual Flow for Molecular Graph Generation

Graph Residual Flow for Molecular Graph Generation

30 September 2019
Shion Honda
Hirotaka Akita
Katsuhiko Ishiguro
Toshiki Nakanishi
Kenta Oono
ArXiv (abs)PDFHTML

Papers citing "Graph Residual Flow for Molecular Graph Generation"

23 / 23 papers shown
Fine-Grained Traffic Inference from Road to Lane via Spatio-Temporal Graph Node Generation
Fine-Grained Traffic Inference from Road to Lane via Spatio-Temporal Graph Node Generation
Shuhao Li
Weidong Yang
Yue Cui
Xiaoxing Liu
Lingkai Meng
Lipeng Ma
Fan Zhang
129
0
0
25 Jul 2025
GraphSPNs: Sum-Product Networks Benefit From Canonical Orderings
GraphSPNs: Sum-Product Networks Benefit From Canonical Orderings
Milan Papež
Martin Rektoris
Václav Šmídl
Tomáš Pevný
TPM
361
2
0
18 Aug 2024
Physics-integrated generative modeling using attentive planar
  normalizing flow based variational autoencoder
Physics-integrated generative modeling using attentive planar normalizing flow based variational autoencoder
Sheikh Waqas Akhtar
DRL
227
0
0
18 Apr 2024
Overcoming Order in Autoregressive Graph Generation
Overcoming Order in Autoregressive Graph Generation
Edo Cohen-Karlik
Eyal Rozenberg
Daniel Freedman
166
3
0
04 Feb 2024
Data-centric Graph Learning: A Survey
Data-centric Graph Learning: A SurveyIEEE Transactions on Big Data (IEEE Trans. Big Data), 2023
Jixi Liu
Deyu Bo
Cheng Yang
Haoran Dai
Qi Zhang
Yixin Xiao
Yufei Peng
Chuan Shi
GNN
336
30
0
08 Oct 2023
Molecule Design by Latent Space Energy-Based Modeling and Gradual
  Distribution Shifting
Molecule Design by Latent Space Energy-Based Modeling and Gradual Distribution ShiftingConference on Uncertainty in Artificial Intelligence (UAI), 2023
Deqian Kong
Bo Pang
Tian Han
Ying Nian Wu
DiffM
201
6
0
09 Jun 2023
An open unified deep graph learning framework for discovering drug leads
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
339
1
0
06 Dec 2022
Modular Flows: Differential Molecular Generation
Modular Flows: Differential Molecular GenerationNeural Information Processing Systems (NeurIPS), 2022
Yogesh Verma
Samuel Kaski
Markus Heinonen
Vikas Garg
366
15
0
12 Oct 2022
Large-Scale Auto-Regressive Modeling Of Street Networks
Large-Scale Auto-Regressive Modeling Of Street Networks
Michael Birsak
Tom Kelly
W. Para
Peter Wonka
GNNAI4TS
99
7
0
01 Sep 2022
Conditional $β$-VAE for De Novo Molecular Generation
Conditional βββ-VAE for De Novo Molecular Generation
Ryan J. Richards
A. Groener
BDLDRL
244
14
0
01 May 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for
  Molecule Design
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design
Yuanqi Du
Tianfan Fu
Jimeng Sun
Shengchao Liu
AI4CE
448
96
0
28 Mar 2022
A Survey on Deep Graph Generation: Methods and Applications
A Survey on Deep Graph Generation: Methods and ApplicationsLOG IN (LOG IN), 2022
Yanqiao Zhu
Yuanqi Du
Yinkai Wang
Yichen Xu
Jieyu Zhang
Qiang Liu
Shu Wu
3DVGNN
376
75
0
13 Mar 2022
Target-aware Molecular Graph Generation
Target-aware Molecular Graph Generation
Cheng Tan
Zhangyang Gao
Stan Z. Li
240
27
0
10 Feb 2022
FastFlows: Flow-Based Models for Molecular Graph Generation
FastFlows: Flow-Based Models for Molecular Graph Generation
Nathan C. Frey
V. Gadepally
Bharath Ramsundar
167
16
0
28 Jan 2022
HelixMO: Sample-Efficient Molecular Optimization in Scene-Sensitive
  Latent Space
HelixMO: Sample-Efficient Molecular Optimization in Scene-Sensitive Latent Space
Zhiyuan Chen
Xiaomin Fang
Zixu Hua
Yueyang Huang
Fan Wang
Hua Wu
MedIm
232
5
0
30 Nov 2021
An In-depth Summary of Recent Artificial Intelligence Applications in
  Drug Design
An In-depth Summary of Recent Artificial Intelligence Applications in Drug Design
Yi Zhang
AI4CE
248
7
0
10 Oct 2021
Differentiable Scaffolding Tree for Molecular Optimization
Differentiable Scaffolding Tree for Molecular Optimization
Tianfan Fu
Wenhao Gao
Cao Xiao
Jacob Yasonik
Connor W. Coley
Jimeng Sun
241
85
0
22 Sep 2021
Artificial Intelligence in Drug Discovery: Applications and Techniques
Artificial Intelligence in Drug Discovery: Applications and Techniques
Jianyuan Deng
Zhibo Yang
Iwao Ojima
Dimitris Samaras
Fusheng Wang
AI4TS
510
146
0
09 Jun 2021
GraphDF: A Discrete Flow Model for Molecular Graph Generation
GraphDF: A Discrete Flow Model for Molecular Graph GenerationInternational Conference on Machine Learning (ICML), 2021
Youzhi Luo
Keqiang Yan
Shuiwang Ji
DRL
464
240
0
01 Feb 2021
GraphEBM: Molecular Graph Generation with Energy-Based Models
GraphEBM: Molecular Graph Generation with Energy-Based Models
Meng Liu
Keqiang Yan
Bora Oztekin
Shuiwang Ji
198
99
0
31 Jan 2021
A Systematic Survey on Deep Generative Models for Graph Generation
A Systematic Survey on Deep Generative Models for Graph GenerationIEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), 2020
Xiaojie Guo
Bo Pan
MedIm
474
182
0
13 Jul 2020
MoFlow: An Invertible Flow Model for Generating Molecular Graphs
MoFlow: An Invertible Flow Model for Generating Molecular Graphs
Chengxi Zang
Haiwei Yang
BDL
312
338
0
17 Jun 2020
Normalizing Flows for Probabilistic Modeling and Inference
Normalizing Flows for Probabilistic Modeling and InferenceJournal of machine learning research (JMLR), 2019
George Papamakarios
Eric T. Nalisnick
Danilo Jimenez Rezende
S. Mohamed
Balaji Lakshminarayanan
TPMAI4CE
728
2,071
0
05 Dec 2019
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