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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…

机器学习 · 计算机科学 2023-11-08 Elaine Lau , Nikhil Vemgal , Doina Precup , Emmanuel Bengio

Generative Flow Networks (GFlowNets) are amortized sampling methods that learn a distribution over discrete objects proportional to their rewards. GFlowNets exhibit a remarkable ability to generate diverse samples, yet occasionally struggle…

机器学习 · 计算机科学 2024-03-26 Minsu Kim , Taeyoung Yun , Emmanuel Bengio , Dinghuai Zhang , Yoshua Bengio , Sungsoo Ahn , Jinkyoo Park

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…

机器学习 · 计算机科学 2024-10-30 Hyosoon Jang , Yunhui Jang , Minsu Kim , Jinkyoo Park , Sungsoo Ahn

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…

机器学习 · 计算机科学 2025-03-04 Dominic Phillips , Flaviu Cipcigan

Generative Flow Networks (GFlowNets) are a family of generative models that learn to sample objects with probabilities proportional to a given reward function. The key concept behind GFlowNets is the use of two stochastic policies: a…

机器学习 · 计算机科学 2025-03-04 Timofei Gritsaev , Nikita Morozov , Sergey Samsonov , Daniil Tiapkin

Generative Flow Networks (GFlowNets) are amortized samplers that learn stochastic policies to sequentially generate compositional objects from a given unnormalized reward distribution. They can generate diverse sets of high-reward objects,…

机器学习 · 计算机科学 2023-10-06 Ling Pan , Moksh Jain , Kanika Madan , 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…

机器学习 · 计算机科学 2024-09-17 Mohit Pandey , Gopeshh Subbaraj , Emmanuel Bengio

Generative Flow Networks (GFlowNets) are powerful samplers for compositional objects that, by design, sample proportionally to a given non-negative reward. Nonetheless, in practice, they often struggle to explore the reward landscape…

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…

机器学习 · 计算机科学 2022-10-10 Ling Pan , Dinghuai Zhang , Aaron Courville , Longbo Huang , 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.,…

机器学习 · 计算机科学 2025-02-25 Haoran He , Can Chang , Huazhe Xu , Ling Pan

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…

机器学习 · 计算机科学 2026-05-29 Seokwon Yoon , Youngbin Choi , Seunghyuk Cho , Seungbeom Lee , MoonJeong Park , Dongwoo Kim

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.…

机器学习 · 计算机科学 2024-06-05 Chunhui Li , Cheng-Hao Liu , Dianbo Liu , Qingpeng Cai , Ling Pan

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…

机器学习 · 计算机科学 2022-06-10 Dinghuai Zhang , Nikolay Malkin , Zhen Liu , Alexandra Volokhova , Aaron Courville , Yoshua Bengio

Generative Flow Networks (or GFlowNets for short) are a family of probabilistic agents that learn to sample complex combinatorial structures through the lens of "inference as control". They have shown great potential in generating…

机器学习 · 计算机科学 2023-06-27 Ling Pan , Dinghuai Zhang , Moksh Jain , Longbo Huang , Yoshua Bengio

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…

机器学习 · 计算机科学 2025-06-16 Zarif Ikram , Ling Pan , Dianbo Liu

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…

机器学习 · 计算机科学 2025-06-13 Mohit Pandey , Gopeshh Subbaraj , Artem Cherkasov , Martin Ester , Emmanuel Bengio

Generative Flow Networks (GFlowNets, GFNs) are a generative framework for learning unnormalized probability mass functions over discrete spaces. Since their inception, GFlowNets have proven to be useful for learning generative models in…

机器学习 · 计算机科学 2025-04-17 Lazar Atanackovic , Emmanuel Bengio

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…

机器学习 · 计算机科学 2023-03-07 Yinchuan Li , Shuang Luo , Haozhi Wang , Jianye Hao

This paper is about the problem of learning a stochastic policy for generating an object (like a molecular graph) from a sequence of actions, such that the probability of generating an object is proportional to a given positive reward for…

机器学习 · 计算机科学 2021-11-22 Emmanuel Bengio , Moksh Jain , Maksym Korablyov , Doina Precup , Yoshua 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…

机器学习 · 计算机科学 2026-04-24 Florian Holeczek , Andreas Hinterreiter , Alex Hernandez-Garcia , Marc Streit , Christina Humer
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