Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation

8 June 2021

Moksh Jain

Papers citing "Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation"

50 / 223 papers shown

Title
Improved off-policy training of diffusion samplers Marcin Sendera Minsu Kim Sarthak Mittal Pablo Lemos Luca Scimeca Jarrid Rector-Brooks Alexandre Adam Yoshua Bengio Nikolay Malkin OffRL 71 18 0 07 Feb 2024
Investigating Generalization Behaviours of Generative Flow Networks Lazar Atanackovic Emmanuel Bengio AI4CE 38 2 0 07 Feb 2024
Evolution Guided Generative Flow Networks Zarif Ikram Ling Pan Dianbo Liu 89 1 0 03 Feb 2024
Precise Knowledge Transfer via Flow Matching Shitong Shao Zhiqiang Shen Linrui Gong Huanran Chen Xu Dai 34 2 0 03 Feb 2024
SymbolicAI: A framework for logic-based approaches combining generative models and solvers Marius-Constantin Dinu Claudiu Leoveanu-Condrei Markus Holzleitner Werner Zellinger Sepp Hochreiter 50 10 0 01 Feb 2024
FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction Alexander Telepov Artem Tsypin Kuzma Khrabrov Sergey Yakukhnov Pavel Strashnov ... Egor Rumiantsev Daniel Ezhov Manvel Avetisian Olga Popova Artur Kadurin 32 4 0 18 Jan 2024
Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMs Xiuyuan Hu Guoqing Liu Yang Zhao Hao Zhang 35 1 0 15 Jan 2024
A Theory of Non-Acyclic Generative Flow Networks Leo Maxime Brunswic Yinchuan Li Yushun Xu Shangling Jui Lizhuang Ma 33 3 0 23 Dec 2023
Maximum entropy GFlowNets with soft Q-learning Sobhan Mohammadpour Emmanuel Bengio Emma Frejinger Pierre-Luc Bacon 44 17 0 21 Dec 2023
De novo Drug Design using Reinforcement Learning with Multiple GPT Agents Xiuyuan Hu Guoqing Liu Yang Zhao Hao Zhang 23 20 0 21 Dec 2023
Improving Gradient-guided Nested Sampling for Posterior Inference Pablo Lemos Nikolay Malkin Will Handley Yoshua Bengio Y. Hezaveh Laurence Perreault Levasseur BDL 52 9 0 06 Dec 2023
GFN-SR: Symbolic Regression with Generative Flow Networks Sida Li Ioana Marinescu Sebastian Musslick 37 3 0 01 Dec 2023
Symbolic Learning for Material Discovery Daniel Cunnington F. Cipcigan Rodrigo Neumann Barros Ferreira Jonathan Booth 24 1 0 30 Nov 2023
Generative Explanations for Graph Neural Network: Methods and Evaluations Jialin Chen Kenza Amara Junchi Yu Rex Ying 42 4 0 09 Nov 2023
DGFN: Double Generative Flow Networks Elaine Lau Nikhil Vemgal Doina Precup Emmanuel Bengio AI4CE 35 8 0 30 Oct 2023
Towards equilibrium molecular conformation generation with GFlowNets Alexandra Volokhova Michal Koziarski Alex Hernández-García Cheng-Hao Liu Santiago Miret Pablo Lemos Luca Thiede Zichao Yan Alán Aspuru-Guzik Yoshua Bengio 41 9 0 20 Oct 2023
Generative Flow Networks as Entropy-Regularized RL D. Tiapkin Nikita Morozov Alexey Naumov Dmitry Vetrov 52 28 0 19 Oct 2023
Generative Marginalization Models Sulin Liu Peter J. Ramadge Ryan P. Adams 39 1 0 19 Oct 2023
PhyloGFN: Phylogenetic inference with generative flow networks Mingyang Zhou Zichao Yan Elliot Layne Nikolay Malkin Dinghuai Zhang Moksh Jain Mathieu Blanchette Yoshua Bengio 32 16 0 12 Oct 2023
Kernel-Elastic Autoencoder for Molecular Design Haote Li Yu Shee B. Allen F. Maschietto Victor S. Batista 21 5 0 12 Oct 2023
Transformers and Large Language Models for Chemistry and Drug Discovery Andres M Bran Philippe Schwaller LM&MA MedIm AI4CE 38 14 0 09 Oct 2023
Crystal-GFN: sampling crystals with desirable properties and constraints Mila AI4Science Alex Hernandez-Garcia Alexandre Duval Alexandra Volokhova Yoshua Bengio Divya Sharma P. Carrier Yasmine Benabed Michal Koziarski Victor Schmidt 141 18 0 07 Oct 2023
Amortizing intractable inference in large language models Marvin Schmitt Moksh Jain Daniel Habermann Younesse Kaddar Ullrich Kothe Stefan T. Radev Nikolay Malkin AIFin BDL 32 49 0 06 Oct 2023
Probabilistic Generative Modeling for Procedural Roundabout Generation for Developing Countries Zarif Ikram Ling Pan Dianbo Liu 24 1 0 05 Oct 2023
Causal Inference in Gene Regulatory Networks with GFlowNet: Towards Scalability in Large Systems Trang Nguyen Alexander Tong Kanika Madan Yoshua Bengio Dianbo Liu 33 4 0 05 Oct 2023
Pre-Training and Fine-Tuning Generative Flow Networks Ling Pan Moksh Jain Kanika Madan Yoshua Bengio 49 13 0 05 Oct 2023
GRAPES: Learning to Sample Graphs for Scalable Graph Neural Networks Taraneh Younesian Daniel Daza Emile van Krieken Thiviyan Thanapalasingam Peter Bloem 16 4 0 05 Oct 2023
Learning Energy Decompositions for Partial Inference of GFlowNets Hyosoon Jang Minsu Kim Sungsoo Ahn 33 19 0 05 Oct 2023
TacoGFN: Target-conditioned GFlowNet for Structure-based Drug Design Tony Shen Seonghwan Seo Grayson Lee Mohit Pandey Jason R. Smith Artem Cherkasov Woo Youn Kim Martin Ester 102 0 0 05 Oct 2023
Searching for High-Value Molecules Using Reinforcement Learning and Transformers Raj Ghugare Santiago Miret Adriana Hugessen Mariano Phielipp Glen Berseth 13 16 0 04 Oct 2023
Learning to Scale Logits for Temperature-Conditional GFlowNets Minsu Kim Joohwan Ko Taeyoung Yun Dinghuai Zhang Ling Pan W. Kim Jinkyoo Park Emmanuel Bengio Yoshua Bengio AI4CE 39 21 0 04 Oct 2023
Expected flow networks in stochastic environments and two-player zero-sum games Marco Jiralerspong Bilun Sun Danilo Vucetic Tianyu Zhang Yoshua Bengio Gauthier Gidel Nikolay Malkin 39 6 0 04 Oct 2023
Local Search GFlowNets Minsu Kim Taeyoung Yun Emmanuel Bengio Dinghuai Zhang Yoshua Bengio Sungsoo Ahn Jinkyoo Park 39 34 0 04 Oct 2023
Diffusion Generative Flow Samplers: Improving learning signals through partial trajectory optimization Dinghuai Zhang Ricky Tian Qi Chen Cheng-Hao Liu Aaron C. Courville Yoshua Bengio 39 41 0 04 Oct 2023
Delta-AI: Local objectives for amortized inference in sparse graphical models Jean-Pierre Falet Hae Beom Lee Nikolay Malkin Chen Sun Dragos Secrieru Thomas Jiralerspong Dinghuai Zhang Guillaume Lajoie Yoshua Bengio 51 6 0 03 Oct 2023
Order-Preserving GFlowNets Yihang Chen Lukas Mauch 40 9 0 30 Sep 2023
Compositional Sculpting of Iterative Generative Processes Yixuan Wang Sebastiaan De Peuter Mingtong Zhang Vikas K. Garg Samuel Kaski Tommi Jaakkola DiffM 28 15 0 28 Sep 2023
Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design Jeff Guo P. Schwaller 37 6 0 25 Sep 2023
Human-in-the-Loop Causal Discovery under Latent Confounding using Ancestral GFlowNets Tiago da Silva Eliezer de Souza da Silva Adèle H. Ribeiro António Góis Dominik Heider Samuel Kaski Diego Mesquita CML 56 6 0 21 Sep 2023
MatSciML: A Broad, Multi-Task Benchmark for Solid-State Materials Modeling Kin Long Kelvin Lee Carmelo Gonzales Marcel Nassar Matthew Spellings Mikhail Galkin Santiago Miret 47 16 0 12 Sep 2023
Consciousness in Artificial Intelligence: Insights from the Science of Consciousness Patrick Butlin R. Long Eric Elmoznino Yoshua Bengio Jonathan C. P. Birch ... L. Mudrik Megan A. K. Peters Eric Schwitzgebel Jonathan Simon Rufin VanRullen LLMAG 23 98 0 17 Aug 2023
An Empirical Study of the Effectiveness of Using a Replay Buffer on Mode Discovery in GFlowNets Nikhil Vemgal Elaine Lau Doina Precup 41 11 0 15 Jul 2023
Benchmarking Bayesian Causal Discovery Methods for Downstream Treatment Effect Estimation Chris C. Emezue Alexandre Drouin T. Deleu Stefan Bauer Yoshua Bengio CML 40 2 0 11 Jul 2023
Generative Flow Networks: a Markov Chain Perspective T. Deleu Yoshua Bengio BDL 32 8 0 04 Jul 2023
Thompson sampling for improved exploration in GFlowNets Jarrid Rector-Brooks Kanika Madan Moksh Jain Maksym Korablyov Cheng-Hao Liu Sarath Chandar Nikolay Malkin Yoshua Bengio 36 25 0 30 Jun 2023
BatchGFN: Generative Flow Networks for Batch Active Learning Shreshth A. Malik Salem Lahlou Andrew Jesson Moksh Jain Nikolay Malkin T. Deleu Yoshua Bengio Y. Gal AI4CE 33 2 0 26 Jun 2023
Multi-Fidelity Active Learning with GFlowNets Alex Hernandez-Garcia Nikita Saxena Moksh Jain Cheng-Hao Liu Yoshua Bengio AI4CE 37 14 0 20 Jun 2023
Meta Generative Flow Networks with Personalization for Task-Specific Adaptation Xinyuan Ji Xu Zhang Wei Xi Haozhi Wang Olga Gadyatskaya Yinchuan Li 22 1 0 16 Jun 2023
XInsight: Revealing Model Insights for GNNs with Flow-based Explanations Eli J. Laird Ayesh Madushanka E. Kraka Corey Clark 37 1 0 07 Jun 2023
Goal-conditioned GFlowNets for Controllable Multi-Objective Molecular Design Julien Roy Pierre-Luc Bacon C. Pal Emmanuel Bengio AI4CE 26 15 0 07 Jun 2023