Diffusion Twigs with Loop Guidance for Conditional Graph Generation

31 October 2024

Giangiacomo Mercatali

Papers citing "Diffusion Twigs with Loop Guidance for Conditional Graph Generation"

34 / 34 papers shown

Title
Unlocking Guidance for Discrete State-Space Diffusion and Flow Models Hunter Nisonoff Junhao Xiong Stephan Allenspach Jennifer Listgarten 143 44 0 03 Jun 2024
Equivariant Denoisers Cannot Copy Graphs: Align Your Graph Diffusion Models Najwa Laabid Severi Rissanen Markus Heinonen Arno Solin Vikas Garg DiffM 70 1 0 27 May 2024
Equivariant Flow Matching with Hybrid Probability Transport Yuxuan Song Jingjing Gong Minkai Xu Ziyao Cao Yanyan Lan Stefano Ermon Hao Zhou Wei-Ying Ma DiffM 69 57 0 12 Dec 2023
Size Matters: Large Graph Generation with HiGGs Alex O. Davies Nirav Ajmeri Telmo de Menezes e Silva Filho 75 3 0 20 Jun 2023
AbODE: Ab Initio Antibody Design using Conjoined ODEs Yogesh Verma Markus Heinonen Vikas Garg 94 18 0 31 May 2023
Efficient and Degree-Guided Graph Generation via Discrete Diffusion Modeling Xiaohui Chen Jiaxing He Xuhong Han Liping Liu DiffM 71 55 0 06 May 2023
GraphGUIDE: interpretable and controllable conditional graph generation with discrete Bernoulli diffusion Alex Tseng N. Diamant Tommaso Biancalani Gabriele Scalia DiffM 56 6 0 07 Feb 2023
Structure-based Drug Design with Equivariant Diffusion Models Arne Schneuing Yuanqi Du Charles Harris Arian R. Jamasb Ilia Igashov ... Pietro Lio Carla P. Gomes Max Welling Michael M. Bronstein B. Correia DiffM 126 224 0 24 Oct 2022
Improving Adversarial Robustness by Contrastive Guided Diffusion Process Yidong Ouyang Liyan Xie Guang Cheng 52 8 0 18 Oct 2022
Equivariant Energy-Guided SDE for Inverse Molecular Design Fan Bao Min Zhao Zhongkai Hao Pei‐Yun Li Chongxuan Li Jun Zhu DiffM 249 67 0 30 Sep 2022
Diffusion-based Molecule Generation with Informative Prior Bridges Lemeng Wu Chengyue Gong Xingchao Liu Mao Ye Qiang Liu DiffM 93 116 0 02 Sep 2022
Diffusion models as plug-and-play priors Alexandros Graikos Nikolay Malkin Nebojsa Jojic Dimitris Samaras DiffM 94 224 0 17 Jun 2022
Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem Brian L. Trippe Jason Yim D. Tischer D. Baker Tamara Broderick Regina Barzilay Tommi Jaakkola DiffM 76 239 0 08 Jun 2022
Exploring Chemical Space with Score-based Out-of-distribution Generation Seul Lee Jaehyeong Jo Sung Ju Hwang OODD 96 80 0 06 Jun 2022
Torsional Diffusion for Molecular Conformer Generation Bowen Jing Gabriele Corso Jeffrey Chang Regina Barzilay Tommi Jaakkola DiffM BDL 93 273 0 01 Jun 2022
Subspace Diffusion Generative Models Bowen Jing Gabriele Corso Renato Berlinghieri Tommi Jaakkola DiffM 81 78 0 03 May 2022
Equivariant Diffusion for Molecule Generation in 3D Emiel Hoogeboom Victor Garcia Satorras Clément Vignac Max Welling DiffM 133 620 0 31 Mar 2022
GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation Minkai Xu Lantao Yu Yang Song Chence Shi Stefano Ermon Jian Tang BDL DiffM 162 519 0 06 Mar 2022
Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations Jaehyeong Jo Seul Lee Sung Ju Hwang DiffM 67 227 0 05 Feb 2022
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 227 175 0 10 Sep 2021
SDEdit: Guided Image Synthesis and Editing with Stochastic Differential Equations Chenlin Meng Yutong He Yang Song Jiaming Song Jiajun Wu Jun-Yan Zhu Stefano Ermon DiffM 149 1,504 0 02 Aug 2021
Cascaded Diffusion Models for High Fidelity Image Generation Jonathan Ho Chitwan Saharia William Chan David J. Fleet Mohammad Norouzi Tim Salimans 166 1,235 0 30 May 2021
Diffusion Models Beat GANs on Image Synthesis Prafulla Dhariwal Alex Nichol 268 7,938 0 11 May 2021
Learning Gradient Fields for Molecular Conformation Generation Chence Shi Shitong Luo Minkai Xu Jian Tang DiffM AI4CE 79 216 0 09 May 2021
Accurate Learning of Graph Representations with Graph Multiset Pooling Jinheon Baek Minki Kang Sung Ju Hwang 89 176 0 23 Feb 2021
GraphEBM: Molecular Graph Generation with Energy-Based Models Meng Liu Keqiang Yan Bora Oztekin Shuiwang Ji 80 88 0 31 Jan 2021
Score-Based Generative Modeling through Stochastic Differential Equations Yang Song Jascha Narain Sohl-Dickstein Diederik P. Kingma Abhishek Kumar Stefano Ermon Ben Poole DiffM SyDa 353 6,566 0 26 Nov 2020
Denoising Diffusion Probabilistic Models Jonathan Ho Ajay Jain Pieter Abbeel DiffM 691 18,310 0 19 Jun 2020
Hierarchical Generation of Molecular Graphs using Structural Motifs Wengong Jin Regina Barzilay Tommi Jaakkola 83 288 0 08 Feb 2020
Generative Models for Automatic Chemical Design Daniel Schwalbe-Koda Rafael Gómez-Bombarelli MedIm AI4CE 78 81 0 02 Jul 2019
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules Niklas W. A. Gebauer M. Gastegger Kristof T. Schütt 128 210 0 02 Jun 2019
Mol-CycleGAN - a generative model for molecular optimization Łukasz Maziarka Agnieszka Pocha Jan Kaczmarczyk Krzysztof Rataj M. Warchoł 58 250 0 06 Feb 2019
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 133 1,017 0 25 Apr 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 176 2,939 0 07 Oct 2016