Grammar Variational Autoencoder

6 March 2017

Matt J. Kusner

Brooks Paige

José Miguel Hernández-Lobato

BDL

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Papers citing "Grammar Variational Autoencoder"

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Deep Symbolic Optimization: Reinforcement Learning for Symbolic Mathematics Conor F. Hayes Felipe Leno Da Silva Jiachen Yang T. Nathan Mundhenk Chak Shing Lee ... Ahmet Can Solak Thomas Desautels Daniel Faissol Brenden K. Petersen Mikel Landajuela 22 0 0 16 May 2025
Leveraging Partial SMILES Validation Scheme for Enhanced Drug Design in Reinforcement Learning Frameworks Xinyu Wang Jinbo Bi Minghu Song CLL 69 0 0 01 May 2025
CasaGPT: Cuboid Arrangement and Scene Assembly for Interior Design Weitao Feng Hang Zhou Jing Liao Li Cheng Wenbo Zhou 3DV 58 0 0 28 Apr 2025
CRFU: Compressive Representation Forgetting Against Privacy Leakage on Machine Unlearning Weiqi Wang Chenhan Zhang Zhiyi Tian Shushu Liu Shui Yu MU 47 0 0 27 Feb 2025
HOG-Diff: Higher-Order Guided Diffusion for Graph Generation Yiming Huang Tolga Birdal DiffM 78 0 0 06 Feb 2025
MMO-IG: Multi-Class and Multi-Scale Object Image Generation for Remote Sensing Chuang Yang Bingxuan Zhao Qing Zhou Qi Wang 83 1 0 18 Dec 2024
Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization Siyi Gu Minkai Xu Alexander Powers Weili Nie Tomas Geffner Karsten Kreis J. Leskovec Arash Vahdat Stefano Ermon 48 7 0 01 Jul 2024
A survey and benchmark of high-dimensional Bayesian optimization of discrete sequences Miguel González Duque Richard Michael Simon Bartels Yevgen Zainchkovskyy Søren Hauberg Wouter Boomsma 44 4 0 07 Jun 2024
From Words to Actions: Unveiling the Theoretical Underpinnings of LLM-Driven Autonomous Systems Jianliang He Siyu Chen Fengzhuo Zhang Zhuoran Yang LM&Ro LLMAG 44 2 0 30 May 2024
Implicitly Guided Design with PropEn: Match your Data to Follow the Gradient Natavsa Tagasovska Vladimir Gligorijević Kyunghyun Cho Andreas Loukas DiffM 54 4 0 28 May 2024
Challenges and Opportunities in 3D Content Generation Ke Zhao Andreas Larsen 31 0 0 24 May 2024
Graph Reinforcement Learning for Combinatorial Optimization: A Survey and Unifying Perspective Victor-Alexandru Darvariu Stephen Hailes Mirco Musolesi AI4CE 50 6 0 09 Apr 2024
GP-MoLFormer: A Foundation Model For Molecular Generation Jerret Ross Brian M. Belgodere Samuel C. Hoffman Vijil Chenthamarakshan Youssef Mroueh Payel Das Payel Das 38 5 0 04 Apr 2024
STRIDE: Structure-guided Generation for Inverse Design of Molecules Shehtab Zaman D. Akhiyarov Mauricio Araya-Polo Kenneth Chiu 29 1 0 06 Nov 2023
CktGNN: Circuit Graph Neural Network for Electronic Design Automation Zehao Dong Weidong Cao Muhan Zhang Dacheng Tao Yixin Chen Xuan Zhang GNN 34 30 0 31 Aug 2023
Metrics-Based Evaluation and Comparison of Visualization Notations Nicolas Kruchten A. Mcnutt Michael J. McGuffin 16 2 0 30 Aug 2023
Probabilistic Regular Tree Priors for Scientific Symbolic Reasoning Tim Schneider A. Totounferoush Wolfgang Nowak Steffen Staab 26 0 0 14 Jun 2023
Inverse Protein Folding Using Deep Bayesian Optimization Natalie Maus Yimeng Zeng Daniel A. Anderson Phillip M. Maffettone Aaron C. Solomon Peyton Greenside Osbert Bastani Jacob R. Gardner 28 2 0 25 May 2023
High-Dimensional Bayesian Optimization via Semi-Supervised Learning with Optimized Unlabeled Data Sampling Y. Yin Yu Wang Gang Xu 32 4 0 04 May 2023
Differentiable Genetic Programming for High-dimensional Symbolic Regression Peng Zeng Xiaotian Song Andrew Lensen Yuwei Ou Yanan Sun Mengjie Zhang Jiancheng Lv 37 2 0 18 Apr 2023
An Equivariant Generative Framework for Molecular Graph-Structure Co-Design Zaixin Zhang Qi Liu Cheekong Lee Chang-Yu Hsieh Enhong Chen 24 18 0 12 Apr 2023
3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction Jiaqi Guan Wesley Wei Qian Xingang Peng Yufeng Su Jian-wei Peng Jianzhu Ma DiffM 34 162 0 06 Mar 2023
Graph Anomaly Detection in Time Series: A Survey Thi Kieu Khanh Ho Ali Karami Narges Armanfard AI4TS 32 5 0 31 Jan 2023
Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation Han Huang Leilei Sun Bowen Du Weifeng Lv 45 40 0 01 Jan 2023
Molecular Graph Generation by Decomposition and Reassembling Masatsugu Yamada M. Sugiyama 24 4 0 11 Dec 2022
Improving Molecule Properties Through 2-Stage VAE Chenghui Zhou Barnabás Póczós DRL 28 1 0 06 Dec 2022
P(Expression\|Grammar): Probability of deriving an algebraic expression with a probabilistic context-free grammar U. Primozic L. Todorovski Matej Petković 11 0 0 01 Dec 2022
GrannGAN: Graph annotation generative adversarial networks Yoann Boget Magda Gregorova Alexandros Kalousis GAN 20 0 0 01 Dec 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 29 2 0 15 Nov 2022
Augmentative Topology Agents For Open-Ended Learning Muhammad Umair Nasir Michael Beukman Steven D. James C. Cleghorn 37 3 0 20 Oct 2022
An efficient graph generative model for navigating ultra-large combinatorial synthesis libraries Aryan Pedawi P. Gniewek Chao-Ling Chang Brandon M. Anderson H. V. D. Bedem 34 5 0 19 Oct 2022
Unsupervised Inference of Data-Driven Discourse Structures using a Tree Auto-Encoder Patrick Huber Giuseppe Carenini 29 0 0 18 Oct 2022
Modular Flows: Differential Molecular Generation Yogesh Verma Samuel Kaski Markus Heinonen Vikas K. Garg 29 14 0 12 Oct 2022
Semi-supervised detection of structural damage using Variational Autoencoder and a One-Class Support Vector Machine A. Pollastro Giusiana Testa A. Bilotta R. Prevete DRL 38 10 0 11 Oct 2022
Equivariant Energy-Guided SDE for Inverse Molecular Design Fan Bao Min Zhao Zhongkai Hao Pei‐Yun Li Chongxuan Li Jun Zhu DiffM 193 64 0 30 Sep 2022
GLSO: Grammar-guided Latent Space Optimization for Sample-efficient Robot Design Automation Jiaheng Hu Julian Whiman Howie Choset 42 16 0 23 Sep 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
Molecular Design Based on Integer Programming and Quadratic Descriptors in a Two-layered Model Jianshen Zhu Naveed Ahmed Azam Shengjuan Cao Ryota Ido Kazuya Haraguchi Liang Zhao H. Nagamochi Tatsuya Akutsu 24 3 0 13 Sep 2022
A Molecular Multimodal Foundation Model Associating Molecule Graphs with Natural Language Bing-Huang Su Dazhao Du Zhao-Qing Yang Yujie Zhou Jiangmeng Li Anyi Rao Haoran Sun Zhiwu Lu Ji-Rong Wen 49 108 0 12 Sep 2022
String-based Molecule Generation via Multi-decoder VAE Kisoo Kwon Kuhwan Jung Jung-Geun Park Hwidong Na Jinwoo Shin DRL 34 2 0 23 Aug 2022
Graph neural networks for materials science and chemistry Patrick Reiser Marlen Neubert André Eberhard Luca Torresi Chen Zhou ... Houssam Metni Clint van Hoesel Henrik Schopmans T. Sommer Pascal Friederich GNN AI4CE 50 373 0 05 Aug 2022
Optimizing Training Trajectories in Variational Autoencoders via Latent Bayesian Optimization Approach Arpan Biswas Rama K Vasudevan M. Ziatdinov Sergei V. Kalinin BDL DRL 19 10 0 30 Jun 2022
LIMO: Latent Inceptionism for Targeted Molecule Generation Peter Eckmann Kunyang Sun Bo Zhao Mudong Feng Michael K. Gilson Rose Yu BDL 43 44 0 17 Jun 2022
GOOD: A Graph Out-of-Distribution Benchmark Shurui Gui Xiner Li Limei Wang Shuiwang Ji OOD 33 116 0 16 Jun 2022
Recent Advances for Quantum Neural Networks in Generative Learning Jinkai Tian Xiaoyun Sun Yuxuan Du Shanshan Zhao Qing Liu ... Xingyao Wu Min-hsiu Hsieh Tongliang Liu Wen-Bin Yang Dacheng Tao AI4CE 31 82 0 07 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
3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design Yinan Huang Xing Peng Jianzhu Ma Muhan Zhang BDL 30 48 0 15 May 2022
Learning Discrete Structured Variational Auto-Encoder using Natural Evolution Strategies Alon Berliner Guy Rotman Yossi Adi Roi Reichart Tamir Hazan BDL DRL 24 4 0 03 May 2022
Taylor Genetic Programming for Symbolic Regression Baihe He Qiang Lu Qingyun Yang Jake Luo Zhiguang Wang 37 29 0 28 Apr 2022