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Large-eddy simulations (LES) require closures for filtered production rates because the resolved fields do not contain all correlations that govern chemical source terms. We develop a graph neural network (GNN) that predicts filtered…

Fluid Dynamics · Physics 2026-03-23 Priyabrat Dash , Mathis Bode , Konduri Aditya

Heterogeneous graph neural networks (HGNNs) were proposed for representation learning on structural data with multiple types of nodes and edges. To deal with the performance degradation issue when HGNNs become deep, researchers combine…

Machine Learning · Computer Science 2023-11-27 Xinyu Fu , Irwin King

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs…

Machine Learning · Computer Science 2022-06-08 Zhaoning Yu , Hongyang Gao

Heterogeneous graph neural networks (GNNs) have been successful in handling heterogeneous graphs. In existing heterogeneous GNNs, meta-path plays an essential role. However, recent work pointed out that simple homogeneous graph model…

Machine Learning · Computer Science 2024-12-17 Guanghui Zhu , Zhennan Zhu , Hongyang Chen , Chunfeng Yuan , Yihua Huang

Convolutional neural networks (CNNs) have demonstrated strong performance in visual recognition tasks, but their inherent reliance on regular grid structures limits their capacity to model complex topological relationships and non-local…

Computer Vision and Pattern Recognition · Computer Science 2025-08-18 Feiyue Zhao , Zhichao Zhang

Recently there has been increasing interest in developing and deploying deep graph learning algorithms for many tasks, such as fraud detection and recommender systems. Albeit, there is a limited number of publicly available graph-structured…

Machine Learning · Computer Science 2023-10-06 Sajad Darabi , Piotr Bigaj , Dawid Majchrowski , Artur Kasymov , Pawel Morkisz , Alex Fit-Florea

The rapid progress in deep generative models has led to the creation of incredibly realistic synthetic images that are becoming increasingly difficult to distinguish from real-world data. The widespread use of Variational Models, Diffusion…

Computer Vision and Pattern Recognition · Computer Science 2025-01-13 Anant Mehta , Bryant McArthur , Nagarjuna Kolloju , Zhengzhong Tu

Graph representation of structured data can facilitate the extraction of stereoscopic features, and it has demonstrated excellent ability when working with deep learning systems, the so-called Graph Neural Networks (GNNs). Choosing a…

Machine Learning · Computer Science 2021-01-27 Yingfang Yuan , Wenjun Wang , George M. Coghill , Wei Pang

Metal forging is used to manufacture dies. We require the best set of input parameters for the process to be efficient. Currently, we predict the best parameters using the finite element method by generating simulations for the different…

Machine Learning · Computer Science 2023-10-24 Shwetha Salimath , Francesca Bugiotti , Frederic Magoules

A hypergraph as a generalization of graphs records higher-order interactions among nodes, yields a more flexible network model, and allows non-linear features for a group of nodes. In this article, we propose a hypergraph echo state network…

Machine Learning · Computer Science 2023-10-17 Justin Lien

In this work, we introduce a hypergraph representation learning framework called Hypergraph Neural Networks (HNN) that jointly learns hyperedge embeddings along with a set of hyperedge-dependent embeddings for each node in the hypergraph.…

Machine Learning · Computer Science 2023-01-02 Ryan Aponte , Ryan A. Rossi , Shunan Guo , Jane Hoffswell , Nedim Lipka , Chang Xiao , Gromit Chan , Eunyee Koh , Nesreen Ahmed

A hypergraph is a data structure composed of nodes and hyperedges, where each hyperedge is an any-sized subset of nodes. Due to the flexibility in hyperedge size, hypergraphs represent group interactions (e.g., co-authorship by more than…

Social and Information Networks · Computer Science 2023-06-06 Minyoung Choe , Sunwoo Kim , Jaemin Yoo , Kijung Shin

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling…

Machine Learning · Computer Science 2025-01-07 Zongwei Li , Lianghao Xia , Hua Hua , Shijie Zhang , Shuangyang Wang , Chao Huang

Graph Neural Networks (GNNs) have demonstrated significant success in learning from graph-structured data but often struggle on heterophilous graphs, where connected nodes differ in features or class labels. This limitation arises from…

Machine Learning · Computer Science 2025-09-30 Zhongtian Sun , Anoushka Harit , Alexandra Cristea , Christl A. Donnelly , Pietro Liò

Future Frame Synthesis (FFS), the task of generating subsequent video frames from context, represents a core challenge in machine intelligence and a cornerstone for developing predictive world models. This survey provides a comprehensive…

Computer Vision and Pattern Recognition · Computer Science 2025-07-15 Ruibo Ming , Zhewei Huang , Jingwei Wu , Zhuoxuan Ju , Daxin Jiang , Jianming Hu , Lihui Peng , Shuchang Zhou

Large-scale graphs with node attributes are increasingly common in various real-world applications. Creating synthetic, attribute-rich graphs that mirror real-world examples is crucial, especially for sharing graph data for analysis and…

Machine Learning · Computer Science 2024-10-17 Mufei Li , Eleonora Kreačić , Vamsi K. Potluru , Pan Li

Multi-Agent Reinforcement Learning is widely used for multi-robot coordination, where simple graphs typically model pairwise interactions. However, such representations fail to capture higher-order collaborations, limiting effectiveness in…

Robotics · Computer Science 2025-08-01 Delin Zhao , Yanbo Shan , Chang Liu , Shenghang Lin , Yingxin Shou , Bin Xu

Graph Neural Networks (GNNs) have become increasingly important due to their representational power and state-of-the-art predictive performance on many fundamental learning tasks. Despite this success, GNNs suffer from fairness issues that…

Machine Learning · Computer Science 2023-07-11 April Chen , Ryan A. Rossi , Namyong Park , Puja Trivedi , Yu Wang , Tong Yu , Sungchul Kim , Franck Dernoncourt , Nesreen K. Ahmed

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

Machine Learning · Computer Science 2021-12-06 Yongyi Yang , Tang Liu , Yangkun Wang , Jinjing Zhou , Quan Gan , Zhewei Wei , Zheng Zhang , Zengfeng Huang , David Wipf

We present an elegant framework of fine-grained neural architecture search (FGNAS), which allows to employ multiple heterogeneous operations within a single layer and can even generate compositional feature maps using several different base…

Computer Vision and Pattern Recognition · Computer Science 2019-11-19 Heewon Kim , Seokil Hong , Bohyung Han , Heesoo Myeong , Kyoung Mu Lee