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Generative Flow Networks (GFlowNets) are a family of probabilistic generative models that learn to sample compositional objects proportional to their rewards. One big challenge of GFlowNets is training them effectively when dealing with…

Machine Learning · Computer Science 2025-06-16 Zarif Ikram , Ling Pan , Dianbo Liu

GFlowNets is a novel flow-based method for learning a stochastic policy to generate objects via a sequence of actions and with probability proportional to a given positive reward. We contribute to relaxing hypotheses limiting the…

Machine Learning · Computer Science 2024-05-14 Leo Maxime Brunswic , Yinchuan Li , Yushun Xu , Shangling Jui , Lizhuang Ma

The Generative Flow Network is a probabilistic framework where an agent learns a stochastic policy for object generation, such that the probability of generating an object is proportional to a given reward function. Its effectiveness has…

Machine Learning · Computer Science 2022-10-10 Ling Pan , Dinghuai Zhang , Aaron Courville , Longbo Huang , Yoshua Bengio

Generative Flow Networks (GFlowNets), a class of generative models have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from unnormalized reward distributions. Previous works…

Machine Learning · Computer Science 2024-09-17 Mohit Pandey , Gopeshh Subbaraj , Emmanuel Bengio

Generative flow networks (GFlowNets) are amortized variational inference algorithms that are trained to sample from unnormalized target distributions over compositional objects. A key limitation of GFlowNets until this time has been that…

Generative Flow Networks (GFlowNets) are a flexible family of amortized samplers trained to generate discrete and compositional objects with probability proportional to a reward function. However, learning efficiency is constrained by the…

Machine Learning · Computer Science 2026-02-23 Pedro Dall'Antonia , Tiago da Silva , Daniel Csillag , Salem Lahlou , Diego Mesquita

We present GFlowState, a visual analytics system designed to illuminate the training process of Generative Flow Networks (GFlowNets or GFNs). GFlowNets are a probabilistic framework for generating samples proportionally to a reward…

Machine Learning · Computer Science 2026-04-24 Florian Holeczek , Andreas Hinterreiter , Alex Hernandez-Garcia , Marc Streit , Christina Humer

This work applies Generative Flow Networks (GFlowNets) to three graph optimization problems: the Traveling Salesperson Problem, Minimum Spanning Tree, and Shortest Path. GFlowNets are generative models that learn to sample solutions…

Artificial Intelligence · Computer Science 2025-10-28 Mark Phillip Matovic

Generative Flow Networks (GFlowNets; GFNs) are a family of energy-based generative methods for combinatorial objects, capable of generating diverse and high-utility samples. However, consistently biasing GFNs towards producing high-utility…

Machine Learning · Computer Science 2024-11-04 Elaine Lau , Stephen Zhewen Lu , Ling Pan , Doina Precup , Emmanuel Bengio

Generative Flow Networks (GFlowNets) are a family of generative models that learn to sample objects from a given probability distribution, potentially known up to a normalizing constant. Instead of working in the object space, GFlowNets…

Machine Learning · Computer Science 2025-09-12 Nikita Morozov , Ian Maksimov , Daniil Tiapkin , Sergey Samsonov

The challenge of discovering new molecules with desired properties is crucial in domains like drug discovery and material design. Recent advances in deep learning-based generative methods have shown promise but face the issue of sample…

Biomolecules · Quantitative Biology 2024-12-31 Hyeonah Kim , Minsu Kim , Sanghyeok Choi , Jinkyoo Park

Generative Flow Networks (GFlowNets) have been shown effective to generate combinatorial objects with desired properties. We here propose a new GFlowNet training framework, with policy-dependent rewards, that bridges keeping flow balance of…

Machine Learning · Computer Science 2025-06-04 Puhua Niu , Shili Wu , Mingzhou Fan , Xiaoning Qian

Generative flow networks (GFlowNets) are a family of algorithms for training a sequential sampler of discrete objects under an unnormalized target density and have been successfully used for various probabilistic modeling tasks. Existing…

Deep learning is emerging as an effective tool in drug discovery, with potential applications in both predictive and generative models. Generative Flow Networks (GFlowNets/GFNs) are a recently introduced method recognized for the ability to…

Machine Learning · Computer Science 2023-11-08 Elaine Lau , Nikhil Vemgal , Doina Precup , Emmanuel Bengio

Many score-based active learning methods have been successfully applied to graph-structured data, aiming to reduce the number of labels and achieve better performance of graph neural networks based on predefined score functions. However,…

Machine Learning · Computer Science 2023-04-25 Yinchuan Li , Zhigang Li , Wenqian Li , Yunfeng Shao , Yan Zheng , Jianye Hao

Generative flow networks (GFlowNets) are a method for learning a stochastic policy for generating compositional objects, such as graphs or strings, from a given unnormalized density by sequences of actions, where many possible action…

Machine Learning · Computer Science 2023-10-05 Nikolay Malkin , Moksh Jain , Emmanuel Bengio , Chen Sun , Yoshua Bengio

Generative Flow Networks (GFlowNets) offer a powerful framework for sampling graphs in proportion to their rewards. However, existing approaches suffer from systematic biases due to inaccuracies in state transition probability computations.…

Machine Learning · Statistics 2025-10-17 Hohyun Kim , Seunggeun Lee , Min-hwan Oh

Generative Flow Networks (GFlowNets), a new family of probabilistic samplers, have recently emerged as a promising framework for learning stochastic policies that generate high-quality and diverse objects proportionally to their rewards.…

Machine Learning · Computer Science 2024-06-05 Chunhui Li , Cheng-Hao Liu , Dianbo Liu , Qingpeng Cai , Ling Pan

Tackling the most pressing problems for humanity, such as the climate crisis and the threat of global pandemics, requires accelerating the pace of scientific discovery. While science has traditionally relied on trial and error and even…

Machine Learning · Computer Science 2023-06-28 Moksh Jain , Tristan Deleu , Jason Hartford , Cheng-Hao Liu , Alex Hernandez-Garcia , Yoshua Bengio

Generative Flow Networks (GFlowNets) learn to sample states proportional to an unnormalized reward. Despite their theoretical promise, practical training is often unstable, exhibiting severe loss spikes and mode collapse. To tackle this, we…