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Generative Flow Networks (GFlowNets) have been introduced as a method to sample a diverse set of candidates with probabilities proportional to a given reward. However, GFlowNets can only be used with a predefined scalar reward, which can be…

Machine Learning · Computer Science 2024-02-27 Yihang Chen , Lukas Mauch

Generative Flow Networks (GFlowNets or GFNs) are probabilistic models predicated on Markov flows, and they employ specific amortization algorithms to learn stochastic policies that generate compositional substances including biomolecules,…

Machine Learning · Computer Science 2025-03-21 Shuai Guo , Jielei Chu , Lin Ma , Zhaoyu Li , Tianrui Li

Although Generative Flow Networks (GFlowNets) are designed to capture multiple modes of a reward function, they often suffer from mode collapse in practice, getting trapped in early-discovered modes and requiring prolonged training to find…

Machine Learning · Computer Science 2025-11-11 Idriss Malek , Aya Laajil , Abhijith Sharma , Eric Moulines , Salem Lahlou

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

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

The recently proposed generative flow networks (GFlowNets) are a method of training a policy to sample compositional discrete objects with probabilities proportional to a given reward via a sequence of actions. GFlowNets exploit the…

Machine Learning · Computer Science 2024-02-27 Daniil Tiapkin , Nikita Morozov , Alexey Naumov , Dmitry Vetrov

Generative flow networks (GFlowNets), as an emerging technique, can be used as an alternative to reinforcement learning for exploratory control tasks. GFlowNet aims to generate distribution proportional to the rewards over terminating…

Machine Learning · Computer Science 2023-03-07 Yinchuan Li , Shuang Luo , Haozhi Wang , Jianye Hao

Building predictive models for tabular data presents fundamental challenges, notably in scaling consistently, i.e., more resources translating to better performance, and generalizing systematically beyond the training data distribution.…

As trajectories sampled by policies used by reinforcement learning (RL) and generative flow networks (GFlowNets) grow longer, credit assignment and exploration become more challenging, and the long planning horizon hinders mode discovery…

This paper studies Generative Flow Networks (GFlowNets), which learn to sample objects proportionally to a given reward function through the trajectory of state transitions. In this work, we observe that GFlowNets tend to under-exploit the…

Machine Learning · Computer Science 2024-10-30 Hyosoon Jang , Yunhui Jang , Minsu Kim , Jinkyoo Park , Sungsoo Ahn

Traditional reinforcement learning often struggles to generate diverse, high-reward solutions, especially in domains like drug design and black-box function optimization. Markov Chain Monte Carlo (MCMC) methods provide an alternative method…

Machine Learning · Computer Science 2024-10-02 Siyi He

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), 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

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), a new family of probabilistic samplers, have demonstrated remarkable capabilities to generate diverse sets of high-reward candidates, in contrast to standard return maximization approaches (e.g.,…

Machine Learning · Computer Science 2025-02-25 Haoran He , Can Chang , Huazhe Xu , Ling Pan

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

In this work, we consider the radio resource allocation problem in a wireless system with various integrated functionalities, such as communication, sensing and computing. We design suitable resource management techniques that can…

Machine Learning · Computer Science 2025-05-09 Charbel Bou Chaaya , Mehdi Bennis

Generative Flow Networks (GFlowNets; GFNs) are a class of generative models that learn to sample compositional objects proportionally to their a priori unknown value, their reward. We focus on the case where the reward has a specified,…

Machine Learning · Computer Science 2026-05-12 Alexandre Larouche , Audrey Durand

Generative Flow Networks (GFlowNets) have emerged as an innovative learning paradigm designed to address the challenge of sampling from an unnormalized probability distribution, called the reward function. This framework learns a policy on…

Machine Learning · Computer Science 2024-07-04 Anas Krichel , Nikolay Malkin , Salem Lahlou , Yoshua Bengio

Generative Flow Networks (GFlowNets) have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from rewards treated as unnormalized distributions. Previous works in this framework…

Machine Learning · Computer Science 2025-06-13 Mohit Pandey , Gopeshh Subbaraj , Artem Cherkasov , Martin Ester , Emmanuel Bengio