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In this paper, we present a novel learning framework for finding shortest paths in graphs utilizing Generative Flow Networks (GFlowNets). First, we examine theoretical properties of GFlowNets in non-acyclic environments in relation to…

Machine Learning · Computer Science 2026-03-03 Nikita Morozov , Ian Maksimov , Daniil Tiapkin , Sergey Samsonov

Generative models hold great promise for small molecule discovery, significantly increasing the size of search space compared to traditional in silico screening libraries. However, most existing machine learning methods for small molecule…

Flow-based generative models, including diffusion models, excel at modeling continuous distributions in high-dimensional spaces. In this work, we introduce Flow Policy Optimization (FPO), a simple on-policy reinforcement learning algorithm…

Machine Learning · Computer Science 2025-08-04 David McAllister , Songwei Ge , Brent Yi , Chung Min Kim , Ethan Weber , Hongsuk Choi , Haiwen Feng , Angjoo Kanazawa

Generative robot policies such as Flow Matching offer flexible, multi-modal policy learning but are sample-inefficient. Although object-centric policies improve sample efficiency, it does not resolve this limitation. In this work, we…

Robotics · Computer Science 2026-04-01 Jan Ole von Hartz , Lukas Schweizer , Joschka Boedecker , Abhinav Valada

High training costs of generative models and the need to fine-tune them for specific tasks have created a strong interest in model reuse and composition. A key challenge in composing iterative generative processes, such as GFlowNets and…

Machine Learning · Computer Science 2023-09-29 Timur Garipov , Sebastiaan De Peuter , Ge Yang , Vikas Garg , Samuel Kaski , Tommi Jaakkola

Generative Flow Networks (GFlowNets) are a novel class of generative models designed to sample from unnormalized distributions and have found applications in various important tasks, attracting great research interest in their training…

Machine Learning · Computer Science 2024-10-04 Rui Hu , Yifan Zhang , Zhuoran Li , Longbo Huang

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

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic…

Machine Learning · Computer Science 2024-03-12 Dinghuai Zhang , Ricky T. Q. Chen , Cheng-Hao Liu , Aaron Courville , Yoshua Bengio

Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design,…

Machine Learning · Computer Science 2024-11-11 Xiaoyang Hou , Tian Zhu , Milong Ren , Dongbo Bu , Xin Gao , Chunming Zhang , Shiwei Sun

Generative control policies have recently unlocked major progress in robotics. These methods produce action sequences via diffusion or flow matching, with training data provided by demonstrations. But existing methods come with two key…

Robotics · Computer Science 2026-03-09 Vince Kurtz , Joel W. Burdick

Generative models that can model and predict sequences of future events can, in principle, learn to capture complex real-world phenomena, such as physical interactions. However, a central challenge in video prediction is that the future is…

Computer Vision and Pattern Recognition · Computer Science 2020-02-13 Manoj Kumar , Mohammad Babaeizadeh , Dumitru Erhan , Chelsea Finn , Sergey Levine , Laurent Dinh , Durk Kingma

Generative models based on dynamical equations such as flows and diffusions offer exceptional sample quality, but require computationally expensive numerical integration during inference. The advent of consistency models has enabled…

Machine Learning · Computer Science 2025-06-04 Nicholas M. Boffi , Michael S. Albergo , Eric Vanden-Eijnden

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…

Machine Learning · Computer Science 2025-05-07 Leo Maxime Brunswic , Mateo Clemente , Rui Heng Yang , Adam Sigal , Amir Rasouli , Yinchuan Li

Generative models, particularly diffusion model, have emerged as powerful tools for sequential recommendation. However, accurately modeling user preferences remains challenging due to the noise perturbations inherent in the forward and…

Information Retrieval · Computer Science 2025-05-23 Feng Liu , Lixin Zou , Xiangyu Zhao , Min Tang , Liming Dong , Dan Luo , Xiangyang Luo , Chenliang Li

We consider the problem of learning deep generative models from data. We formulate a method that generates an independent sample via a single feedforward pass through a multilayer perceptron, as in the recently proposed generative…

Machine Learning · Computer Science 2015-02-11 Yujia Li , Kevin Swersky , Richard Zemel

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…

Machine Learning · Computer Science 2023-03-03 Nikolay Malkin , Salem Lahlou , Tristan Deleu , Xu Ji , Edward Hu , Katie Everett , Dinghuai Zhang , Yoshua Bengio

Flow Matching (FM) is a simulation-free method for learning a continuous and invertible flow to interpolate between two distributions, and in particular to generate data from noise. Inspired by the variational nature of the diffusion…

Machine Learning · Statistics 2025-07-14 Chen Xu , Xiuyuan Cheng , Yao Xie

A common objective in the analysis of tabular data is estimating the conditional distribution (in contrast to only producing predictions) of a set of "outcome" variables given a set of "covariates", which is sometimes referred to as the…

Machine Learning · Statistics 2024-10-08 Zhuoqun Wang , Naoki Awaya , Li Ma

Generative Flow Networks (GFlowNets), a class of generative models over discrete and structured sample spaces, have been previously applied to the problem of inferring the marginal posterior distribution over the directed acyclic graph…

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…

Machine Learning · Computer Science 2025-11-11 Idriss Malek , Aya Laajil , Abhijith Sharma , Eric Moulines , Salem Lahlou
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