Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models

30 May 2017

G. L. Guimaraes

Benjamín Sánchez-Lengeling

Carlos Outeiral

Pedro Luis Cunha Farias

Alán Aspuru-Guzik

GAN

ArXiv PDF HTML

Papers citing "Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models"

50 / 67 papers shown

Title
MetaMolGen: A Neural Graph Motif Generation Model for De Novo Molecular Design Zimo Yan Jie Zhang Zheng Xie Chang-rui Liu Yong-Jin Liu Yiping Song 36 0 0 22 Apr 2025
Evaluating Creative Short Story Generation in Humans and Large Language Models Mete Ismayilzada Claire Stevenson Lonneke van der Plas LM&MA LRM 32 3 0 04 Nov 2024
Repurformer: Transformers for Repurposing-Aware Molecule Generation Changhun Lee Gyumin Lee 49 0 0 16 Jul 2024
Entropy-Reinforced Planning with Large Language Models for Drug Discovery Xuefeng Liu Chih-chan Tien Peng Ding Songhao Jiang Rick L. Stevens 45 4 0 11 Jun 2024
Molecular Generative Adversarial Network with Multi-Property Optimization Huidong Tang Chen Li Sayaka Kamei Yoshihiro Yamanishi Yasuhiko Morimoto 42 0 0 29 Mar 2024
STRIDE: Structure-guided Generation for Inverse Design of Molecules Shehtab Zaman D. Akhiyarov Mauricio Araya-Polo Kenneth Chiu 21 1 0 06 Nov 2023
Reinforcement Learning for Generative AI: A Survey Yuanjiang Cao Quan.Z Sheng Julian McAuley Lina Yao SyDa 46 10 0 28 Aug 2023
GraphGANFed: A Federated Generative Framework for Graph-Structured Molecules Towards Efficient Drug Discovery Daniel Manu Jingjing Yao Wuji Liu Xiang Sun FedML 35 6 0 11 Apr 2023
A survey on text generation using generative adversarial networks Gustavo de Rosa João Paulo Papa GAN 32 88 0 20 Dec 2022
Hybrid Quantum Generative Adversarial Networks for Molecular Simulation and Drug Discovery Prateek Jain Srinjoy Ganguly GAN AI4CE 28 7 0 15 Dec 2022
Molecular Graph Generation by Decomposition and Reassembling Masatsugu Yamada M. Sugiyama 16 4 0 11 Dec 2022
Improving Molecule Properties Through 2-Stage VAE Chenghui Zhou Barnabás Póczós DRL 28 1 0 06 Dec 2022
Reinforced Genetic Algorithm for Structure-based Drug Design Tianfan Fu Wenhao Gao Connor W. Coley Jimeng Sun 30 51 0 28 Nov 2022
Deep Fake Detection, Deterrence and Response: Challenges and Opportunities Amin Azmoodeh Ali Dehghantanha 39 2 0 26 Nov 2022
ParticleGrid: Enabling Deep Learning using 3D Representation of Materials Shehtab Zaman E. Ferguson Cécile Pereira D. Akhiyarov Mauricio Araya-Polo Kenneth Chiu DiffM AI4CE 21 2 0 15 Nov 2022
Probabilistic Generative Transformer Language models for Generative Design of Molecules Lai Wei Nihang Fu Yuqi Song Qian Wang Jianjun Hu AI4CE 33 11 0 20 Sep 2022
Checklist Models for Improved Output Fluency in Piano Fingering Prediction Nikita Srivatsan Taylor Berg-Kirkpatrick 16 2 0 12 Sep 2022
LIMO: Latent Inceptionism for Targeted Molecule Generation Peter Eckmann Kunyang Sun Bo-Lu Zhao Mudong Feng Michael K. Gilson Rose Yu BDL 43 44 0 17 Jun 2022
Exploring Chemical Space with Score-based Out-of-distribution Generation Seul Lee Jaehyeong Jo Sung Ju Hwang OODD 30 75 0 06 Jun 2022
An Unpooling Layer for Graph Generation Yi Guo Dongmian Zou Gilad Lerman 16 2 0 04 Jun 2022
Conditional $β$ -VAE for De Novo Molecular Generation Ryan J. Richards A. Groener BDL DRL 24 10 0 01 May 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design Yuanqi Du Tianfan Fu Jimeng Sun Shengchao Liu AI4CE 31 86 0 28 Mar 2022
Interpretable Molecular Graph Generation via Monotonic Constraints Yuanqi Du Xiaojie Guo Amarda Shehu Liang Zhao 63 19 0 28 Feb 2022
MGCVAE: Multi-objective Inverse Design via Molecular Graph Conditional Variational Autoencoder Myeong-Sung Lee K. Min 33 41 0 14 Feb 2022
Training Generative Adversarial Networks with Adaptive Composite Gradient Huiqing Qi Fang Li Shengli Tan Xiangyun Zhang GAN 21 3 0 10 Nov 2021
Unifying Likelihood-free Inference with Black-box Optimization and Beyond Dinghuai Zhang Jie Fu Yoshua Bengio Aaron Courville 31 13 0 06 Oct 2021
Artificial Intelligence in Drug Discovery: Applications and Techniques Jianyuan Deng Zhibo Yang Iwao Ojima Dimitris Samaras Fusheng Wang AI4TS 21 100 0 09 Jun 2021
JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design AkshatKumar Nigam R. Pollice Alán Aspuru-Guzik 29 51 0 07 Jun 2021
Generating Multi-type Temporal Sequences to Mitigate Class-imbalanced Problem Lun Jiang N. S. Sadghiani Zhuo Tao Andrew Cohen 19 0 0 07 Apr 2021
A Survey on Deep Reinforcement Learning for Audio-Based Applications S. Latif Heriberto Cuayáhuitl Farrukh Pervez Fahad Shamshad Hafiz Shehbaz Ali Erik Cambria OffRL 44 73 0 01 Jan 2021
Symmetry-Aware Actor-Critic for 3D Molecular Design G. Simm Robert Pinsler Gábor Csányi José Miguel Hernández-Lobato AI4CE 29 64 0 25 Nov 2020
Optimizing Molecules using Efficient Queries from Property Evaluations Samuel C. Hoffman Vijil Chenthamarakshan Kahini Wadhawan Pin-Yu Chen Payel Das 37 68 0 03 Nov 2020
Generating 3D Molecular Structures Conditional on a Receptor Binding Site with Deep Generative Models Tomohide Masuda Matthew Ragoza D. Koes DiffM 31 52 0 16 Oct 2020
Guiding Deep Molecular Optimization with Genetic Exploration Sungsoo Ahn Junsup Kim Hankook Lee Jinwoo Shin 29 70 0 04 Jul 2020
A Survey on Generative Adversarial Networks: Variants, Applications, and Training Abdul Jabbar Xi Li Bourahla Omar 25 266 0 09 Jun 2020
XGNN: Towards Model-Level Explanations of Graph Neural Networks Haonan Yuan Jiliang Tang Xia Hu Shuiwang Ji 28 389 0 03 Jun 2020
Deep Learning and Knowledge-Based Methods for Computer Aided Molecular Design -- Toward a Unified Approach: State-of-the-Art and Future Directions Abdulelah S. Alshehri R. Gani Fengqi You AI4CE 30 83 0 18 May 2020
Reinforcement Learning for Molecular Design Guided by Quantum Mechanics G. Simm Robert Pinsler José Miguel Hernández-Lobato AI4CE 18 82 0 18 Feb 2020
Hierarchical Generation of Molecular Graphs using Structural Motifs Wengong Jin Regina Barzilay Tommi Jaakkola 21 279 0 08 Feb 2020
RL-Duet: Online Music Accompaniment Generation Using Deep Reinforcement Learning Nan Jiang Sheng Jin Z. Duan Changshui Zhang OffRL 45 49 0 08 Feb 2020
A Review on Generative Adversarial Networks: Algorithms, Theory, and Applications Jie Gui Zhenan Sun Yonggang Wen Dacheng Tao Jieping Ye EGVM 26 817 0 20 Jan 2020
Molecular Generative Model Based On Adversarially Regularized Autoencoder S. Hong Jaechang Lim Seongok Ryu W. Kim GAN DRL GNN 26 63 0 13 Nov 2019
Study of Deep Generative Models for Inorganic Chemical Compositions Yoshihide Sawada Koji Morikawa Mikiya Fujii GAN 14 13 0 25 Oct 2019
Machine Learning and Big Scientific Data Tony (Anthony) John Grenville Hey K. Butler Sam Jackson Jeyarajan Thiyagalingam AI4CE 28 74 0 12 Oct 2019
Generating valid Euclidean distance matrices Moritz Hoffmann Frank Noé 19 56 0 07 Oct 2019
Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space AkshatKumar Nigam Pascal Friederich Mario Krenn Alán Aspuru-Guzik AI4CE 24 128 0 25 Sep 2019
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules Niklas W. A. Gebauer M. Gastegger Kristof T. Schütt 26 201 0 02 Jun 2019
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation Mario Krenn Florian Hase AkshatKumar Nigam Pascal Friederich Alán Aspuru-Guzik 11 70 0 31 May 2019
MolecularRNN: Generating realistic molecular graphs with optimized properties Mariya Popova Mykhailo Shvets Junier Oliva Olexandr Isayev GNN 35 164 0 31 May 2019
Learning to Sample Hard Instances for Graph Algorithms Ryoma Sato M. Yamada H. Kashima 16 1 0 26 Feb 2019