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Generative Flow Networks (GFlowNets) have emerged as a powerful paradigm for generating composite structures, demonstrating considerable promise across diverse applications. While substantial progress has been made in exploring their…

Machine Learning · Computer Science 2025-05-06 Tianshu Yu

Generative Flow Networks (GFlowNets) learn to sample diverse candidates in proportion to a reward function, making them well-suited for scientific discovery, where exploring multiple promising solutions is crucial. Further extending…

Machine Learning · Computer Science 2026-05-29 Seokwon Yoon , Youngbin Choi , Seunghyuk Cho , Seungbeom Lee , MoonJeong Park , Dongwoo Kim

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…

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 class of generative models that sample objects in proportion to a specified reward function through a learned policy. They can be trained either on-policy or off-policy, needing a balance between…

Machine Learning · Computer Science 2025-03-04 Dominic Phillips , Flaviu Cipcigan

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

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

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 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

This paper builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically used to model distributions over continuous spaces, and generative flow networks (GFlowNets), which…

Machine Learning · Computer Science 2023-03-03 Nikolay Malkin , Salem Lahlou , Tristan Deleu , Xu Ji , Edward Hu , Katie Everett , Dinghuai Zhang , 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

We present energy-based generative flow networks (EB-GFN), a novel probabilistic modeling algorithm for high-dimensional discrete data. Building upon the theory of generative flow networks (GFlowNets), we model the generation process by a…

Machine Learning · Computer Science 2022-06-10 Dinghuai Zhang , Nikolay Malkin , Zhen Liu , Alexandra Volokhova , Aaron Courville , Yoshua Bengio

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

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…

The Generative Flow Network (GFlowNet) is a probabilistic framework in which an agent learns a stochastic policy and flow functions to sample objects proportionally to an unnormalized reward function. A number of recent works explored…

Machine Learning · Computer Science 2025-06-03 Haoran He , Emmanuel Bengio , Qingpeng Cai , Ling Pan

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

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 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

While Markov chain Monte Carlo methods (MCMC) provide a general framework to sample from a probability distribution defined up to normalization, they often suffer from slow convergence to the target distribution when the latter is highly…

Machine Learning · Computer Science 2023-07-06 Tristan Deleu , Yoshua Bengio

Generative Flow Networks (GFlowNets) are recently proposed models for learning stochastic policies that generate compositional objects by sequences of actions with the probability proportional to a given reward function. The central problem…

Machine Learning · Computer Science 2022-10-03 Anh Do , Duy Dinh , Tan Nguyen , Khuong Nguyen , Stanley Osher , Nhat Ho