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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 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…

机器学习 · 计算机科学 2022-10-03 Anh Do , Duy Dinh , Tan Nguyen , Khuong Nguyen , Stanley Osher , Nhat Ho

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) 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…

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), 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) are amortized variational inference algorithms that treat sampling from a distribution over compositional objects as a sequential decision-making problem with a learnable action policy. Unlike other…

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

Generative Flow Networks (GFlowNets) have shown promising potential to generate high-scoring candidates with probability proportional to their rewards. As existing GFlowNets freely explore in state space, they encounter significant…

机器学习 · 计算机科学 2026-02-13 Xuan Yu , Xu Wang , Rui Zhu , Yudong Zhang , Yang Wang

Generative flow networks utilize a flow-matching loss to learn a stochastic policy for generating objects from a sequence of actions, such that the probability of generating a pattern can be proportional to the corresponding given reward.…

机器学习 · 计算机科学 2025-09-26 Leo Maxime Brunswic , Haozhi Wang , Shuang Luo , Jianye Hao , Amir Rasouli , Yinchuan Li

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 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 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,…

机器学习 · 计算机科学 2025-03-21 Shuai Guo , Jielei Chu , Lin Ma , Zhaoyu Li , Tianrui Li

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), 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

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

Many crucial scientific problems involve designing novel molecules with desired properties, which can be formulated as a black-box optimization problem over the discrete chemical space. In practice, multiple conflicting objectives and…

机器学习 · 计算机科学 2023-11-03 Yiheng Zhu , Jialu Wu , Chaowen Hu , Jiahuan Yan , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

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

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…

人工智能 · 计算机科学 2025-10-28 Mark Phillip Matovic

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