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Data-Efficient Molecular Generation with Hierarchical Textual Inversion

5 May 2024

Papers citing "Data-Efficient Molecular Generation with Hierarchical Textual Inversion"

31 / 31 papers shown

Title
Learning Flexible Forward Trajectories for Masked Molecular Diffusion Hyunjin Seo Taewon Kim Sihyun Yu SungSoo Ahn DiffM AI4CE 152 0 0 22 May 2025
MolHF: A Hierarchical Normalizing Flow for Molecular Graph Generation Yiheng Zhu Zhenqiu Ouyang Ben Liao Jialun Wu YiXuan Wu Chang-Yu Hsieh Tingjun Hou Jian Wu AI4CE 72 5 0 15 May 2023
STUNT: Few-shot Tabular Learning with Self-generated Tasks from Unlabeled Tables Jaehyun Nam Jihoon Tack Kyungmin Lee Hankook Lee Jinwoo Shin LMTD SSL 83 34 0 02 Mar 2023
Video Probabilistic Diffusion Models in Projected Latent Space Sihyun Yu Kihyuk Sohn Subin Kim Jinwoo Shin VGen DiffM 92 170 0 15 Feb 2023
Make-A-Video: Text-to-Video Generation without Text-Video Data Uriel Singer Adam Polyak Thomas Hayes Xiaoyue Yin Jie An ... Oron Ashual Oran Gafni Devi Parikh Sonal Gupta Yaniv Taigman DiffM VGen 85 1,434 0 29 Sep 2022
DreamBooth: Fine Tuning Text-to-Image Diffusion Models for Subject-Driven Generation Nataniel Ruiz Yuanzhen Li Varun Jampani Yael Pritch Michael Rubinstein Kfir Aberman 282 2,891 0 25 Aug 2022
An Image is Worth One Word: Personalizing Text-to-Image Generation using Textual Inversion Rinon Gal Yuval Alaluf Yuval Atzmon Or Patashnik Amit H. Bermano Gal Chechik Daniel Cohen-Or 168 1,898 0 02 Aug 2022
Translation between Molecules and Natural Language Carl Edwards T. Lai Kevin Ros Garrett Honke Kyunghyun Cho Heng Ji 114 168 0 25 Apr 2022
Equivariant Diffusion for Molecule Generation in 3D Emiel Hoogeboom Victor Garcia Satorras Clément Vignac Max Welling DiffM 133 623 0 31 Mar 2022
Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations Jaehyeong Jo Seul Lee Sung Ju Hwang DiffM 83 228 0 05 Feb 2022
High-Resolution Image Synthesis with Latent Diffusion Models Robin Rombach A. Blattmann Dominik Lorenz Patrick Esser Bjorn Ommer 3DV 505 15,788 0 20 Dec 2021
Keeping it Simple: Language Models can learn Complex Molecular Distributions Daniel Flam-Shepherd Kevin Zhu A. Aspuru‐Guzik 220 149 0 06 Dec 2021
Differentiable Scaffolding Tree for Molecular Optimization Tianfan Fu Wenhao Gao Cao Xiao Jacob Yasonik Connor W. Coley Jimeng Sun 84 78 0 22 Sep 2021
Zero-Shot Text-to-Image Generation Aditya A. Ramesh Mikhail Pavlov Gabriel Goh Scott Gray Chelsea Voss Alec Radford Mark Chen Ilya Sutskever VLM 420 5,000 0 24 Feb 2021
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 256 200 0 01 Feb 2021
GraphEBM: Molecular Graph Generation with Energy-Based Models Meng Liu Keqiang Yan Bora Oztekin Shuiwang Ji 85 88 0 31 Jan 2021
Molecular graph generation with Graph Neural Networks P. Bongini Monica Bianchini F. Scarselli GNN 95 143 0 14 Dec 2020
MoFlow: An Invertible Flow Model for Generating Molecular Graphs Chengxi Zang Fei Wang BDL 134 295 0 17 Jun 2020
The Synthesizability of Molecules Proposed by Generative Models Wenhao Gao Connor W. Coley 66 257 0 17 Feb 2020
Hierarchical Generation of Molecular Graphs using Structural Motifs Wengong Jin Regina Barzilay Tommi Jaakkola 90 289 0 08 Feb 2020
GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation Chence Shi Minkai Xu Zhaocheng Zhu Weinan Zhang Ming Zhang Jian Tang 179 438 0 26 Jan 2020
Exploring the Limits of Transfer Learning with a Unified Text-to-Text Transformer Colin Raffel Noam M. Shazeer Adam Roberts Katherine Lee Sharan Narang Michael Matena Yanqi Zhou Wei Li Peter J. Liu AIMat 495 20,342 0 23 Oct 2019
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 292 653 0 29 Nov 2018
GuacaMol: Benchmarking Models for De Novo Molecular Design Nathan Brown Marco Fiscato Marwin H. S. Segler Alain C. Vaucher ELM 121 713 0 22 Nov 2018
How Powerful are Graph Neural Networks? Keyulu Xu Weihua Hu J. Leskovec Stefanie Jegelka GNN 259 7,705 0 01 Oct 2018
Constrained Graph Variational Autoencoders for Molecule Design Qi Liu Miltiadis Allamanis Marc Brockschmidt Alexander L. Gaunt BDL 83 456 0 23 May 2018
Fréchet ChemNet Distance: A metric for generative models for molecules in drug discovery Kristina Preuer Philipp Renz Thomas Unterthiner Sepp Hochreiter Günter Klambauer MedIm 98 340 0 26 Mar 2018
Syntax-Directed Variational Autoencoder for Structured Data H. Dai Yingtao Tian Bo Dai Steven Skiena Le Song 115 329 0 24 Feb 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 359 1,371 0 12 Feb 2018
Grammar Variational Autoencoder Matt J. Kusner Brooks Paige José Miguel Hernández-Lobato BDL DRL 93 844 0 06 Mar 2017
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 343 1,838 0 02 Mar 2017