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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…

机器学习 · 计算机科学 2025-02-24 Sobhan Mohammadpour , Emmanuel Bengio , Emma Frejinger , Pierre-Luc Bacon

In this work, we consider the radio resource allocation problem in a wireless system with various integrated functionalities, such as communication, sensing and computing. We design suitable resource management techniques that can…

机器学习 · 计算机科学 2025-05-09 Charbel Bou Chaaya , Mehdi Bennis

Generative Flow Networks (GFlowNets) are a family of generative models that learn to sample objects from a given probability distribution, potentially known up to a normalizing constant. Instead of working in the object space, GFlowNets…

机器学习 · 计算机科学 2025-09-12 Nikita Morozov , Ian Maksimov , Daniil Tiapkin , Sergey Samsonov

Generative Flow Networks, or GFlowNets, offer a promising framework for molecular design, but their internal decision policies remain opaque. This limits adoption in drug discovery, where chemists require clear and interpretable rationales…

机器学习 · 计算机科学 2025-11-25 Amirtha Varshini A S , Duminda S. Ranasinghe , Hok Hei Tam

Efficiently identifying the right trajectories for training remains an open problem in GFlowNets. To address this, it is essential to prioritize exploration in regions of the state space where the reward distribution has not been…

机器学习 · 计算机科学 2025-10-23 Sajan Muhammad , Salem Lahlou

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…

机器学习 · 计算机科学 2024-05-29 Tristan Deleu , Padideh Nouri , Nikolay Malkin , Doina Precup , Yoshua Bengio

We introduce a new problem in unsupervised domain adaptation, termed as Generalized Universal Domain Adaptation (GUDA), which aims to achieve precise prediction of all target labels including unknown categories. GUDA bridges the gap between…

计算机视觉与模式识别 · 计算机科学 2023-08-31 Didi Zhu , Yinchuan Li , Yunfeng Shao , Jianye Hao , Fei Wu , Kun Kuang , Jun Xiao , Chao Wu

The challenge of discovering new molecules with desired properties is crucial in domains like drug discovery and material design. Recent advances in deep learning-based generative methods have shown promise but face the issue of sample…

生物大分子 · 定量生物学 2024-12-31 Hyeonah Kim , Minsu Kim , Sanghyeok Choi , Jinkyoo Park

Mathematical reasoning problems are among the most challenging, as they typically require an understanding of fundamental laws to solve. The laws are universal, but the derivation of the final answer changes depending on how a problem is…

机器学习 · 计算机科学 2024-10-29 Ryoichi Takase , Masaya Tsunokake , Yuta Tsuchiya , Shota Inuzuka

The performance of sensor arrays in sensing and wireless communications improves with more elements, but this comes at the cost of increased energy consumption and hardware expense. This work addresses the challenge of selecting $k$ sensor…

机器学习 · 计算机科学 2024-07-30 Spilios Evmorfos , Zhaoyi Xu , Athina Petropulu

Reinforcement Learning (RL) algorithms aim to learn an optimal policy by iteratively sampling actions to learn how to maximize the total expected return, $R(x)$. GFlowNets are a special class of algorithms designed to generate diverse…

机器学习 · 计算机科学 2023-07-19 Nikhil Vemgal , Elaine Lau , Doina Precup

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…

机器学习 · 计算机科学 2026-04-13 Tiago da Silva , Eliezer de Souza da Silva , Diego Mesquita

Generative flow networks (GFNs) are a class of models for sequential sampling of composite objects, which approximate a target distribution that is defined in terms of an energy function or a reward. GFNs are typically trained using a flow…

Tackling the most pressing problems for humanity, such as the climate crisis and the threat of global pandemics, requires accelerating the pace of scientific discovery. While science has traditionally relied on trial and error and even…

机器学习 · 计算机科学 2023-06-28 Moksh Jain , Tristan Deleu , Jason Hartford , Cheng-Hao Liu , Alex Hernandez-Garcia , Yoshua Bengio

This paper builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically used to model distributions over continuous spaces, and generative flow networks (GFlowNets), which…

机器学习 · 计算机科学 2023-03-03 Nikolay Malkin , Salem Lahlou , Tristan Deleu , Xu Ji , Edward Hu , Katie Everett , Dinghuai Zhang , Yoshua Bengio

The rise of cost involved with drug discovery and current speed of which they are discover, underscore the need for more efficient structure-based drug design (SBDD) methods. We employ Generative Flow Networks (GFlowNets), to effectively…

机器学习 · 计算机科学 2024-06-18 Grayson Lee , Tony Shen , Martin Ester

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

While Markov chain Monte Carlo methods (MCMC) provide a general framework to sample from a probability distribution defined up to normalization, they often suffer from slow convergence to the target distribution when the latter is highly…

机器学习 · 计算机科学 2023-07-06 Tristan Deleu , Yoshua Bengio

Generative Flow Networks (GFNs) were initially introduced on directed acyclic graphs to sample from an unnormalized distribution density. Recent works have extended the theoretical framework for generative methods allowing more flexibility…

机器学习 · 计算机科学 2025-05-07 Leo Maxime Brunswic , Mateo Clemente , Rui Heng Yang , Adam Sigal , Amir Rasouli , Yinchuan Li

The Generative Flow Network (GFlowNet) is a probabilistic framework in which an agent learns a stochastic policy and flow functions to sample objects proportionally to an unnormalized reward function. A number of recent works explored…

机器学习 · 计算机科学 2025-06-03 Haoran He , Emmanuel Bengio , Qingpeng Cai , Ling Pan