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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

Combinatorial optimization (CO) is the fundamental problem at the intersection of computer science, applied mathematics, etc. The inherent hardness in CO problems brings up challenge for solving CO exactly, making deep-neural-network-based…

Machine Learning · Computer Science 2024-10-02 Runzhong Wang , Yang Li , Junchi Yan , Xiaokang Yang

The performance of flow matching and diffusion models can be greatly improved at inference time using reward alignment algorithms, yet efficiency remains a major limitation. While several algorithms were proposed, we demonstrate that a…

Machine Learning · Computer Science 2026-02-12 Peter Holderrieth , Uriel Singer , Tommi Jaakkola , Ricky T. Q. Chen , Yaron Lipman , Brian Karrer

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…

Machine Learning · Computer Science 2026-02-13 Xuan Yu , Xu Wang , Rui Zhu , Yudong Zhang , Yang Wang

Combinatorial optimization is a well-established area in operations research and computer science. Until recently, its methods have focused on solving problem instances in isolation, ignoring that they often stem from related data…

Machine Learning · Computer Science 2023-09-06 Quentin Cappart , Didier Chételat , Elias Khalil , Andrea Lodi , Christopher Morris , Petar Veličković

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

Since the 1990s, considerable empirical work has been carried out to train statistical models, such as neural networks (NNs), as learned heuristics for combinatorial optimization (CO) problems. When successful, such an approach eliminates…

Machine Learning · Statistics 2026-01-21 Orit Davidovich , Shimrit Shtern , Segev Wasserkrug , Nimrod Megiddo

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

Learning control policies for real-world robotic tasks often involve challenges such as multimodality, local discontinuities, and the need for computational efficiency. These challenges arise from the complexity of robotic environments,…

Robotics · Computer Science 2025-02-05 Shu-yuan Wang , Hikaru Sasaki , Takamitsu Matsubara

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…

Machine Learning · Computer Science 2026-03-17 Pedro Dall'Antonia , Tiago da Silva , Daniel Augusto de Souza , César Lincoln C. Mattos , Diego Mesquita

We consider the problem of sampling from a discrete and structured distribution as a sequential decision problem, where the objective is to find a stochastic policy such that objects are sampled at the end of this sequential process…

Machine Learning · Computer Science 2024-05-29 Tristan Deleu , Padideh Nouri , Nikolay Malkin , Doina Precup , Yoshua Bengio

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

Using machine learning to solve combinatorial optimization (CO) problems is challenging, especially when the data is unlabeled. This work proposes an unsupervised learning framework for CO problems. Our framework follows a standard…

Machine Learning · Computer Science 2022-10-25 Haoyu Wang , Nan Wu , Hang Yang , Cong Hao , Pan Li

Solving NP-hard/complete combinatorial problems with neural networks is a challenging research area that aims to surpass classical approximate algorithms. The long-term objective is to outperform hand-designed heuristics for…

Neural and Evolutionary Computing · Computer Science 2024-02-14 Dobrik Georgiev , Danilo Numeroso , Davide Bacciu , Pietro Liò

Combinatorial optimization (CO) problems, central to operation research and theoretical computer science, present significant computational challenges due to their NP-hard nature. While large language models (LLMs) have emerged as promising…

Machine Learning · Computer Science 2025-06-16 Xijun Li , Jiexiang Yang , Jinghao Wang , Bo Peng , Jianguo Yao , Haibing Guan

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

Solving combinatorial optimization (CO) on graphs is among the fundamental tasks for upper-stream applications in data mining, machine learning and operations research. Despite the inherent NP-hard challenge for CO, heuristics,…

Optimization and Control · Mathematics 2022-06-07 Han Lu , Zenan Li , Runzhong Wang , Qibing Ren , Junchi Yan , Xiaokang Yang

Relevant combinatorial optimization problems (COPs) are often NP-hard. While they have been tackled mainly via handcrafted heuristics in the past, advances in neural networks have motivated the development of general methods to learn…

Machine Learning · Computer Science 2025-09-05 Tim Dernedde , Daniela Thyssens , Sören Dittrich , Maximilian Stubbemann , Lars Schmidt-Thieme

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…

Machine Learning · Computer Science 2023-06-21 Ling Pan , Nikolay Malkin , Dinghuai Zhang , Yoshua Bengio

Graph combinatorial optimization (GCO) problems are central to domains like logistics and bioinformatics. While traditional solvers dominate, large language models (LLMs) offer new possibilities for structured reasoning, yet struggle with…

Machine Learning · Computer Science 2025-06-13 Zixiao Huang , Lifeng Guo , Wenhao Li , Junjie Sheng , Chuyun Shen , Haosheng Chen , Bo Jin , Changhong Lu , Xiangfeng Wang