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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…

Machine Learning · Computer Science 2026-02-03 Rui Zhu , Yudong Zhang , Xuan Yu , Chen Zhang , Xu Wang , Yang Wang

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…

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

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

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

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 (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…

Machine Learning · Computer Science 2023-06-27 Ling Pan , Dinghuai Zhang , Moksh Jain , Longbo Huang , Yoshua Bengio

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful…

Machine Learning · Computer Science 2023-03-07 Wenqian Li , Yinchuan Li , Zhigang Li , Jianye Hao , Yan Pang

We address the problem of data augmentation in a rotating turbulence set-up, a paradigmatic challenge in geophysical applications. The goal is to reconstruct information in two-dimensional (2D) cuts of the three-dimensional flow fields,…

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,…

Machine Learning · Computer Science 2023-10-06 Ling Pan , Moksh Jain , Kanika Madan , Yoshua Bengio

Generative Flow Networks (GFlowNets) are amortized inference models designed to sample from unnormalized distributions over composable objects, with applications in generative modeling for tasks in fields such as causal discovery, NLP, and…

Machine Learning · Computer Science 2026-04-13 Tiago da Silva , Eliezer de Souza da Silva , Diego Mesquita

Generative Flow Networks (GFNs) have emerged as a powerful tool for sampling discrete objects from unnormalized distributions, offering a scalable alternative to Markov Chain Monte Carlo (MCMC) methods. While GFNs draw inspiration from…

Machine Learning · Computer Science 2025-02-24 Sobhan Mohammadpour , Emmanuel Bengio , Emma Frejinger , Pierre-Luc Bacon

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

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

Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either…

Machine Learning · Computer Science 2023-11-21 Dinghuai Zhang , Hanjun Dai , Nikolay Malkin , Aaron Courville , Yoshua Bengio , Ling Pan

Quantum tomography approaches typically consider a set of observables which we wish to measure, design a measurement scheme which measures each of the observables and then repeats the measurements as many times as necessary. We show that…

Quantum Physics · Physics 2025-01-28 Otto Veltheim , Esko Keski-Vakkuri

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) 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

Quantum computers can efficiently sample from probability distributions that are believed to be classically intractable, providing a foundation for quantum generative modeling. However, practical training of such models remains challenging,…

Quantum Physics · Physics 2025-11-18 Maria Demidik , Cenk Tüysüz , Michele Grossi , Karl Jansen

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

Machine Learning · Computer Science 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler