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Deep generative models, such as diffusion models, have shown promising progress in image generation and audio generation via simplified continuity assumptions. However, the development of generative modeling techniques for generating…

Computer Vision and Pattern Recognition · Computer Science 2025-10-30 Wenhao Zheng , Chenwei Sun , Wenbo Zhang , Jiancheng Lv , Xianggen Liu

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…

Machine Learning · Computer Science 2025-11-25 Amirtha Varshini A S , Duminda S. Ranasinghe , Hok Hei Tam

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

Multi-agent systems provide a powerful way to extend large language models (LLMs) by decomposing a complex task into specialized subtasks handled by different agents. However, their performance is often hindered by error propagation,…

Machine Learning · Computer Science 2026-05-14 Zheng Wang , Yuang Liu , Yangkai Ding

Boltzmann Generators have emerged as a promising machine learning tool for generating samples from equilibrium distributions of molecular systems using Normalizing Flows and importance weighting. Recently, Flow Matching has helped speed up…

Machine Learning · Statistics 2025-10-21 Lorenz Vaitl , Leon Klein

Many real-world scenarios involve a team of agents that have to coordinate their policies to achieve a shared goal. Previous studies mainly focus on decentralized control to maximize a common reward and barely consider the coordination…

Multiagent Systems · Computer Science 2022-01-19 Jingqing Ruan , Yali Du , Xuantang Xiong , Dengpeng Xing , Xiyun Li , Linghui Meng , Haifeng Zhang , Jun Wang , Bo Xu

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…

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…

Machine Learning · Computer Science 2025-09-12 Nikita Morozov , Ian Maksimov , Daniil Tiapkin , Sergey Samsonov

The Multi-Capacity Fixed-Charge Network Flow (MC-FCNF) problem, a generalization of the Fixed-Charge Network Flow problem, aims to assign capacities to edges in a flow network such that a target amount of flow can be hosted at minimum cost.…

Neural and Evolutionary Computing · Computer Science 2024-11-12 Caleb Eardley , Dalton Gomez , Ryan Dupuis , Michael Papadopoulos , Sean Yaw

The mean-field framework has been used to find approximate solutions to problems involving very large populations of symmetric, anonymous agents, which may be intractable by other methods. The cooperative mean-field control (MFC) problem…

Multiagent Systems · Computer Science 2025-12-23 Patrick Benjamin , Alessandro Abate

In order to better understand manifold neural networks (MNNs), we introduce Manifold Filter-Combine Networks (MFCNs). Our filter-combine framework parallels the popular aggregate-combine paradigm for graph neural networks (GNNs) and…

Generative models have emerged as a promising paradigm for offline multi-agent reinforcement learning (MARL), but existing approaches require many iterative sampling steps. Recent few-step acceleration methods either distill a joint teacher…

Artificial Intelligence · Computer Science 2026-05-14 Guowei Zou , Haitao Wang , Beiwen Zhang , Boning Zhang , Hejun Wu

The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected…

Machine Learning · Computer Science 2022-12-21 Simone Scardapane , Indro Spinelli , Paolo Di Lorenzo

In this paper, we present gfnx, a fast and scalable package for training and evaluating Generative Flow Networks (GFlowNets) written in JAX. gfnx provides an extensive set of environments and metrics for benchmarking, accompanied with…

Machine Learning · Computer Science 2025-11-21 Daniil Tiapkin , Artem Agarkov , Nikita Morozov , Ian Maksimov , Askar Tsyganov , Timofei Gritsaev , Sergey Samsonov

Learning to plan for multi-step, multi-manipulator tasks is notoriously difficult because of the large search space and the complex constraint satisfaction problems. We present Generative Factor Chaining~(GFC), a composable generative model…

Robotics · Computer Science 2024-09-25 Utkarsh A. Mishra , Yongxin Chen , Danfei Xu

Traffic forecasting is a core element of intelligent traffic monitoring system. Approaches based on graph neural networks have been widely used in this task to effectively capture spatial and temporal dependencies of road networks. However,…

Machine Learning · Computer Science 2022-03-10 Yaobin Xu , Weitang Liu , Zhongyi Jiang , Zixuan Xu , Tingyun Mao , Lili Chen , Mingwei Zhou

The necessary integration of renewable energy sources, combined with the expanding scale of power networks, presents significant challenges in controlling modern power grids. Traditional control systems, which are human and…

Machine Learning · Computer Science 2025-09-04 Carlo Fabrizio , Gianvito Losapio , Marco Mussi , Alberto Maria Metelli , Marcello Restelli

Generative models, especially diffusion and flow-based models, have been promising in offline multi-agent reinforcement learning. However, integrating powerful generative models into this framework poses unique challenges. In particular,…

Machine Learning · Computer Science 2026-03-02 Zhuoran Li , Xun Wang , Hai Zhong , Qingxin Xia , Lihua Zhang , Longbo Huang

Existing Multi-view Clustering (MVC) methods based on subspace learning focus on consensus representation learning while neglecting the inherent topological structure of data. Despite the integration of Graph Neural Networks (GNNs) into…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Chenping Pei , Fadi Dornaika , Jingjun Bi

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
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