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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.…

机器学习 · 统计学 2025-10-17 Hohyun Kim , Seunggeun Lee , Min-hwan Oh

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…

机器学习 · 计算机科学 2025-06-04 Puhua Niu , Shili Wu , Mingzhou Fan , Xiaoning Qian

Generative flow networks (GFlowNets) are a family of algorithms that learn a generative policy to sample discrete objects $x$ with non-negative reward $R(x)$. Learning objectives guarantee the GFlowNet samples $x$ from the target…

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…

机器学习 · 计算机科学 2025-11-11 Idriss Malek , Aya Laajil , Abhijith Sharma , Eric Moulines , Salem Lahlou

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) 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…

机器学习 · 计算机科学 2023-10-05 Nikolay Malkin , Moksh Jain , Emmanuel Bengio , Chen Sun , Yoshua Bengio

Generative Flow Networks (GFlowNets) enable structured generation with inherent diversity, but existing sampling strategies often rely on weak guided exploration, slowing early discovery of high-reward candidates. In tasks such as molecular…

机器学习 · 计算机科学 2026-02-03 Rui Zhu , Yudong Zhang , Xuan Yu , Chen Zhang , Xu Wang , Yang Wang

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 or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a…

机器学习 · 计算机科学 2023-06-21 Ling Pan , Nikolay Malkin , Dinghuai Zhang , 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 sequential sampling models trained to match a given distribution. GFlowNets have been successfully applied to various structured object generation tasks, sampling a diverse set of high-reward objects…

机器学习 · 计算机科学 2024-03-15 Marco Jiralerspong , Bilun Sun , Danilo Vucetic , Tianyu Zhang , Yoshua Bengio , Gauthier Gidel , Nikolay Malkin

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…

机器学习 · 计算机科学 2024-02-27 Daniil Tiapkin , Nikita Morozov , Alexey Naumov , Dmitry Vetrov

Multi-task reinforcement learning and meta-reinforcement learning have been developed to quickly adapt to new tasks, but they tend to focus on tasks with higher rewards and more frequent occurrences, leading to poor performance on tasks…

机器学习 · 计算机科学 2023-06-19 Xinyuan Ji , Xu Zhang , Wei Xi , Haozhi Wang , Olga Gadyatskaya , Yinchuan Li

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

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,…

机器学习 · 计算机科学 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…

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

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) aim to generate diverse trajectories from a distribution in which the final states of the trajectories are proportional to the reward, serving as a powerful alternative to reinforcement learning for…

人工智能 · 计算机科学 2024-08-14 Shuang Luo , Yinchuan Li , Shunyu Liu , Xu Zhang , Yunfeng Shao , Chao Wu

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…

机器学习 · 计算机科学 2025-05-06 Tianshu Yu

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