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We propose an extension of the Contextual Graph Markov Model, a deep and probabilistic machine learning model for graphs, to model the distribution of edge features. Our approach is architectural, as we introduce an additional Bayesian…

Machine Learning · Computer Science 2023-08-21 Daniele Atzeni , Federico Errica , Davide Bacciu , Alessio Micheli

Generative models have become significant assets in the exploration and identification of new materials, enabling the rapid proposal of candidate crystal structures that satisfy target properties. Despite the increasing adoption of diverse…

Machine Learning · Computer Science 2025-10-21 Charles Rhys Campbell , Aldo H. Romero , Kamal Choudhary

Diffusion Maps framework is a kernel based method for manifold learning and data analysis that defines diffusion similarities by imposing a Markovian process on the given dataset. Analysis by this process uncovers the intrinsic geometric…

Machine Learning · Statistics 2015-11-20 Moshe Salhov , Amit Bermanis , Guy Wolf , Amir Averbuch

Generative modeling aims to generate new data samples that resemble a given dataset, with diffusion models recently becoming the most popular generative model. One of the main challenges of diffusion models is solving the problem in the…

Numerical Analysis · Mathematics 2025-10-08 Wonjun Lee , Riley C. W. O'Neill , Dongmian Zou , Jeff Calder , Gilad Lerman

The computational cost associated with simulating fluid flows can make it infeasible to run many simulations across multiple flow conditions. Building upon concepts from generative modeling, we introduce a new method for learning neural…

Computational Physics · Physics 2019-12-17 Jeremy Morton , Freddie D. Witherden , Mykel J. Kochenderfer

In this paper, we propose a proof-of-concept Graph Neural Network model that can successfully predict network flow-level traffic (NetFlow) by accurately modelling the graph structure and the connection features. We use sliding-windows to…

Networking and Internet Architecture · Computer Science 2026-04-24 Georgios Anyfantis , Pere Barlet-Ros

Sensing the fluid flow around an arbitrary geometry entails extrapolating from the physical quantities perceived at its surface in order to reconstruct the features of the surrounding fluid. This is a challenging inverse problem, yet one…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Gregory Duthé , Imad Abdallah , Sarah Barber , Eleni Chatzi

This paper studies a stochastic model that describes the evolution of vehicle densities in a road network. It is consistent with the class of (deterministic) kinematic wave models, which describe traffic flows on the basis of conservation…

Probability · Mathematics 2021-02-11 Michel Mandjes , Jaap Storm

We study generative modeling of graphs with recurring subgraph motifs. We propose Flowette, a continuous flow matching framework that employs a graph neural network-based transformer to learn a velocity field over graph representations with…

Machine Learning · Computer Science 2026-05-19 Asiri Wijesinghe , Sevvandi Kandanaarachchi , Daniel M. Steinberg , Cheng Soon Ong

Generative Flow Networks (GFlowNets) are a new family of probabilistic samplers where an agent learns a stochastic policy for generating complex combinatorial structure through a series of decision-making steps. Despite being inspired from…

Machine Learning · Computer Science 2024-02-20 Dinghuai Zhang , Ling Pan , Ricky T. Q. Chen , Aaron Courville , Yoshua Bengio

The pedestrian trajectory prediction task is an essential component of intelligent systems. Its applications include but are not limited to autonomous driving, robot navigation, and anomaly detection of monitoring systems. Due to the…

Computer Vision and Pattern Recognition · Computer Science 2023-07-28 Rongqin Liang , Yuanman Li , Jiantao Zhou , Xia Li

Simulating turbulent flows is crucial for a wide range of applications, and machine learning-based solvers are gaining increasing relevance. However, achieving temporal stability when generalizing to longer rollout horizons remains a…

Machine Learning · Computer Science 2024-12-12 Georg Kohl , Li-Wei Chen , Nils Thuerey

Diffusion-based graph generative models have recently obtained promising results for graph generation. However, existing diffusion-based graph generative models are mostly one-shot generative models that apply Gaussian diffusion in the…

Artificial Intelligence · Computer Science 2023-07-19 Lingkai Kong , Jiaming Cui , Haotian Sun , Yuchen Zhuang , B. Aditya Prakash , Chao Zhang

In the past few years, deep generative models, such as generative adversarial networks \autocite{GAN}, variational autoencoders \autocite{vaepaper}, and their variants, have seen wide adoption for the task of modelling complex data…

Machine Learning · Statistics 2020-09-02 Guilherme G. P. Freitas Pires , Mário A. T. Figueiredo

Text-to-image diffusion models generate highly detailed textures, yet they often rely on surface appearance and fail to follow strict geometric constraints, particularly when those constraints conflict with the style implied by the text…

Computer Vision and Pattern Recognition · Computer Science 2025-12-30 Antara Titikhsha , Om Kulkarni , Dharun Muthaiah

While generative modeling has achieved remarkable success on tasks like natural language-conditioned image generation, enabling model adaptation from example data points remains a relatively underexplored and challenging problem. To this…

Machine Learning · Computer Science 2026-05-08 Tyler Ingebrand , Ruihan Zhao , Kushagra Gupta , David Fridovich-Keil , Sandeep P. Chinchali , Ufuk Topcu

Blood flow reconstruction in the vasculature is important for many clinical applications. However, in clinical settings, the available data are often quite limited. For instance, Transcranial Doppler ultrasound (TCD) is a noninvasive…

Image and Video Processing · Electrical Eng. & Systems 2024-03-18 Shaghayegh Z. Ashtiani , Mohammad Sarabian , Kaveh Laksari , Hessam Babaee

Advanced generative model (e.g., diffusion model) derived from simplified continuity assumptions of data distribution, though showing promising progress, has been difficult to apply directly to geometry generation applications due to the…

Chemical Physics · Physics 2024-03-26 Yuxuan Song , Jingjing Gong , Yanru Qu , Hao Zhou , Mingyue Zheng , Jingjing Liu , Wei-Ying Ma

Achievement of solutions in Navier-Stokes equation is one of challenging quests, especially for its closure problem. For achievement of particular solutions, there are variety of numerical simulations including Direct Numerical Simulation…

Computational Physics · Physics 2018-11-13 Jinu Lee , Sangseung Lee , Donghyun You

Simulating turbulent fluid flows is a computationally prohibitive task, as it requires the resolution of fine-scale structures and the capture of complex nonlinear interactions across multiple scales. This is particularly the case in direct…

Fluid Dynamics · Physics 2026-04-22 Ismaël Zighed , Nicolas Thome , Patrick Gallinari , Taraneh Sayadi