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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

Normalizing Flows (NFs) have been established as a principled framework for generative modeling. Standard NFs consist of a forward process and a reverse process: the forward process maps data to noise, while the reverse process generates…

Machine Learning · Computer Science 2025-12-12 Yiyang Lu , Qiao Sun , Xianbang Wang , Zhicheng Jiang , Hanhong Zhao , Kaiming He

Despite the dominant role of deep models in machine learning, limitations persist, including overconfident predictions, susceptibility to adversarial attacks, and underestimation of variability in predictions. The Bayesian paradigm provides…

Machine Learning · Statistics 2025-06-18 Alisa Sheinkman , Sara Wade

Structural and topological information play a key role in modeling flow and transport through fractured rock in the subsurface. Discrete fracture network (DFN) computational suites such as dfnWorks are designed to simulate flow and…

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

Generating realistic graph-structured data is challenging due to discrete structures, variable sizes, and class-specific connectivity patterns that resist conventional generative modelling. While recent graph generation methods employ…

Machine Learning · Computer Science 2026-02-02 Seyedeh Ava Razi Razavi , James Sargant , Sheridan Houghten , Renata Dividino

We derive a controlled generation objective within the framework of Variational Flow Matching (VFM), which casts flow matching as a variational inference problem. We demonstrate that controlled generation can be implemented two ways: (1) by…

Generative models able to synthesize layouts of different kinds (e.g. documents, user interfaces or furniture arrangements) are a useful tool to aid design processes and as a first step in the generation of synthetic data, among other…

Computer Vision and Pattern Recognition · Computer Science 2021-04-07 Diego Martin Arroyo , Janis Postels , Federico Tombari

Bayes' rule naturally allows for inference refinement in a streaming fashion, without the need to recompute posteriors from scratch whenever new data arrives. In principle, Bayesian streaming is straightforward: we update our prior with the…

Machine Learning · Computer Science 2024-11-12 Tiago da Silva , Daniel Augusto de Souza , Diego Mesquita

Graph Neural Networks (GNN) provide a powerful framework that elegantly integrates Graph theory with Machine learning for modeling and analysis of networked data. We consider the problem of quantifying the uncertainty in predictions of GNN…

Machine Learning · Computer Science 2022-05-23 Sai Munikoti , Deepesh Agarwal , Laya Das , Balasubramaniam Natarajan

Many score-based active learning methods have been successfully applied to graph-structured data, aiming to reduce the number of labels and achieve better performance of graph neural networks based on predefined score functions. However,…

Machine Learning · Computer Science 2023-04-25 Yinchuan Li , Zhigang Li , Wenqian Li , Yunfeng Shao , Yan Zheng , Jianye Hao

Bayesian inference with computationally expensive likelihood evaluations remains a significant challenge in many scientific domains. We propose normalizing flow regression (NFR), a novel offline inference method for approximating posterior…

Machine Learning · Statistics 2025-04-17 Chengkun Li , Bobby Huggins , Petrus Mikkola , Luigi Acerbi

Modeling and generating graphs is fundamental for studying networks in biology, engineering, and social sciences. However, modeling complex distributions over graphs and then efficiently sampling from these distributions is challenging due…

Machine Learning · Computer Science 2018-06-26 Jiaxuan You , Rex Ying , Xiang Ren , William L. Hamilton , Jure Leskovec

Generative Bayesian Filtering (GBF) provides a powerful and flexible framework for performing posterior inference in complex nonlinear and non-Gaussian state-space models. Our approach extends Generative Bayesian Computation (GBC) to…

Methodology · Statistics 2025-11-07 Edoardo Marcelli , Sean O'Hagan , Veronika Rockova

In view of the huge success of convolution neural networks (CNN) for image classification and object recognition, there have been attempts to generalize the method to general graph-structured data. One major direction is based on spectral…

Machine Learning · Computer Science 2020-03-09 Feng Ji , Jielong Yang , Qiang Zhang , Wee Peng Tay

Bayesian Federated Learning (BFL) enables uncertainty quantification and robust adaptation in distributed learning. In contrast to the frequentist approach, it estimates the posterior distribution of a global model, offering insights into…

Machine Learning · Computer Science 2025-04-23 Usevalad Milasheuski , Luca Barbieri , Sanaz Kianoush , Monica Nicoli , Stefano Savazzi

Generative models now produce images with such stunning realism that they can easily deceive the human eye. While this progress unlocks vast creative potential, it also presents significant risks, such as the spread of misinformation.…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Yichi Zhang , Xiaogang Xu

Deep learning is emerging as an effective tool in drug discovery, with potential applications in both predictive and generative models. Generative Flow Networks (GFlowNets/GFNs) are a recently introduced method recognized for the ability to…

Machine Learning · Computer Science 2023-11-08 Elaine Lau , Nikhil Vemgal , Doina Precup , Emmanuel Bengio

Neural networks are vulnerable to input perturbations such as additive noise and adversarial attacks. In contrast, human perception is much more robust to such perturbations. The Bayesian brain hypothesis states that human brains use an…

Machine Learning · Computer Science 2020-11-11 Yujia Huang , James Gornet , Sihui Dai , Zhiding Yu , Tan Nguyen , Doris Y. Tsao , Anima Anandkumar

In the quest to improve efficiency, interdependence and complexity are becoming defining characteristics of modern complex networks representing engineered and natural systems. Graph theory is a widely used framework for modeling such…

Social and Information Networks · Computer Science 2022-05-31 Sai Munikoti , Laya Das , Balasubramaniam Natarajan