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In real-world applications, spectral Graph Neural Networks (GNNs) are powerful tools for processing diverse types of graphs. However, a single GNN often struggles to handle different graph types-such as homogeneous and heterogeneous…

Machine Learning · Computer Science 2024-12-19 Shibing Mo , Kai Wu , Qixuan Gao , Xiangyi Teng , Jing Liu

Recent 2D-to-3D human pose estimation works tend to utilize the graph structure formed by the topology of the human skeleton. However, we argue that this skeletal topology is too sparse to reflect the body structure and suffer from serious…

Computer Vision and Pattern Recognition · Computer Science 2023-04-05 Han Li , Bowen Shi , Wenrui Dai , Yabo Chen , Botao Wang , Yu Sun , Min Guo , Chenlin Li , Junni Zou , Hongkai Xiong

Hemodynamic velocity fields in coronary arteries could be the basis of valuable biomarkers for diagnosis, prognosis and treatment planning in cardiovascular disease. Velocity fields are typically obtained from patient-specific 3D artery…

Machine Learning · Computer Science 2023-08-07 Julian Suk , Christoph Brune , Jelmer M. Wolterink

With the growing volume of CT examinations, there is an increasing demand for automated tools such as organ segmentation, abnormality detection, and report generation to support radiologists in managing their clinical workload. Multi-label…

Computer Vision and Pattern Recognition · Computer Science 2026-02-16 Theo Di Piazza , Carole Lazarus , Olivier Nempont , Loic Boussel

A wide variety of real-world data, such as sea measurements, e.g., temperatures collected by distributed sensors and multiple unmanned aerial vehicles (UAV) trajectories, can be naturally represented as graphs, often exhibiting…

Machine Learning · Computer Science 2025-11-11 Sivaram Krishnan , Jinho Choi , Jihong Park

Graph are a ubiquitous data representation, as they represent a flexible and compact representation. For instance, the 3D structure of RNA can be efficiently represented as $\textit{2.5D graphs}$, graphs whose nodes are nucleotides and…

Machine Learning · Computer Science 2021-09-21 Vincent Mallet , Carlos G. Oliver , William L. Hamilton

Graphs are ubiquitous in real-world scenarios and encompass a diverse range of tasks, from node-, edge-, and graph-level tasks to transfer learning. However, designing specific tasks for each type of graph data is often costly and lacks…

Machine Learning · Computer Science 2024-03-22 Yulan Hu , Sheng Ouyang , Zhirui Yang , Ge Chen , Junchen Wan , Xiao Wang , Yong Liu

Time series forecasting lies at the core of important real-world applications in many fields of science and engineering. The abundance of large time series datasets that consist of complex patterns and long-term dependencies has led to the…

Machine Learning · Computer Science 2023-12-01 Nancy Xu , Chrysoula Kosma , Michalis Vazirgiannis

We introduce the variational graph auto-encoder (VGAE), a framework for unsupervised learning on graph-structured data based on the variational auto-encoder (VAE). This model makes use of latent variables and is capable of learning…

Machine Learning · Statistics 2016-11-23 Thomas N. Kipf , Max Welling

Reliable fault detection is an essential requirement for safe and efficient operation of complex mechanical systems in various industrial applications. Despite the abundance of existing approaches and the maturity of the fault detection…

Signal Processing · Electrical Eng. & Systems 2024-08-19 Tianfu Li , Chuang Sun , Ruqiang Yan , Xuefeng Chen

Autoregressive (AR) models have achieved remarkable success in natural language and image generation, but their application to 3D shape modeling remains largely unexplored. Unlike diffusion models, AR models enable more efficient and…

Computer Vision and Pattern Recognition · Computer Science 2026-01-12 Tejaswini Medi , Arianna Rampini , Pradyumna Reddy , Pradeep Kumar Jayaraman , Margret Keuper

Explainable artificial intelligence (XAI) is an important area in the AI community, and interpretability is crucial for building robust and trustworthy AI models. While previous work has explored model-level and instance-level explainable…

Machine Learning · Computer Science 2025-12-05 Xudong Wang , Ziheng Sun , Chris Ding , Jicong Fan

Graph Neural Networks have emerged as the most popular architecture for graph-level learning, including graph classification and regression tasks, which frequently arise in areas such as biochemistry and drug discovery. Achieving good…

Machine Learning · Computer Science 2025-03-04 Lukas Fesser , Melanie Weber

Graph data often exhibits complex geometric heterogeneity, where structures with varying local curvature, such as tree-like hierarchies and dense communities, coexist within a single network. Existing geometric GNNs, which embed graphs into…

Machine Learning · Computer Science 2026-01-21 Xudong Wang , Chris Ding , Tongxin Li , Jicong Fan

Machine learning models that learn from dynamic graphs face nontrivial challenges in learning and inference as both nodes and edges change over time. The existing large-scale graph benchmark datasets that are widely used by the community…

There has been a recent surge of interest in using machine learning to approximate density functional theory (DFT) in materials science. However, many of the most performant models are evaluated on large databases of computed properties of,…

Materials Science · Physics 2021-07-02 Filip Ekström , Rickard Armiento , Fredrik Lindsten

Surrogate modeling has emerged as a powerful tool to accelerate Computational Fluid Dynamics (CFD) simulations. Existing 3D geometric learning models based on point clouds, voxels, meshes, or graphs depend on explicit geometric…

Fluid Dynamics · Physics 2025-05-26 Qian Chen , Mohamed Elrefaie , Angela Dai , Faez Ahmed

Pretraining molecular representation models without labels is fundamental to various applications. Conventional methods mainly process 2D molecular graphs and focus solely on 2D tasks, making their pretrained models incapable of…

Quantitative Methods · Quantitative Biology 2022-11-30 Rui Jiao , Jiaqi Han , Wenbing Huang , Yu Rong , Yang Liu

We consider the problem of learning efficient and inductive graph convolutional networks for text classification with a large number of examples and features. Existing state-of-the-art graph embedding based methods such as predictive text…

Computation and Language · Computer Science 2020-09-01 Rahul Ragesh , Sundararajan Sellamanickam , Arun Iyer , Ram Bairi , Vijay Lingam

Despite the plethora of deep learning frameworks for flow field prediction, most of them deal with flow fields on regular domains, and although the best ones can cope with irregular domains, they mostly rely on graph networks, so that real…

Machine Learning · Computer Science 2024-08-14 Laurent de Vito , Nils Pinnau , Simone Dey