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Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

The search for new high-performance organic semiconducting molecules is challenging due to the vastness of the chemical space, machine learning methods, particularly deep learning models like graph neural networks (GNNs), have shown…

Chemical Physics · Physics 2021-12-06 Zaixi Zhang , Qi Liu , Shengyu Zhang , Chang-Yu Hsieh , Liang Shi , Chee-Kong Lee

Designing effective graph neural networks (GNNs) with message passing has two fundamental challenges, i.e., determining optimal message-passing pathways and designing local aggregators. Previous methods of designing optimal pathways are…

Machine Learning · Computer Science 2024-11-01 Junshu Sun , Shuhui Wang , Chenxue Yang , Qingming Huang

The convolutional neural network (CNN), which is one of the deep learning models, has seen much success in a variety of computer vision tasks. However, designing CNN architectures still requires expert knowledge and a lot of trial and…

Neural and Evolutionary Computing · Computer Science 2017-08-14 Masanori Suganuma , Shinichi Shirakawa , Tomoharu Nagao

Graph data is omnipresent and has a wide variety of applications, such as in natural science, social networks, or the semantic web. However, while being rich in information, graphs are often noisy and incomplete. As a result, graph…

Artificial Intelligence · Computer Science 2023-09-01 Luisa Werner , Nabil Layaïda , Pierre Genevès , Sarah Chlyah

OPF problems are formulated and solved for power system operations, especially for determining generation dispatch points in real-time. For large and complex power system networks with large numbers of variables and constraints, finding the…

Systems and Control · Electrical Eng. & Systems 2024-11-12 Thuan Pham , Xingpeng Li

We introduce SketchGNN, a convolutional graph neural network for semantic segmentation and labeling of freehand vector sketches. We treat an input stroke-based sketch as a graph, with nodes representing the sampled points along input…

Computer Vision and Pattern Recognition · Computer Science 2021-03-26 Lumin Yang , Jiajie Zhuang , Hongbo Fu , Xiangzhi Wei , Kun Zhou , Youyi Zheng

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them…

Machine Learning · Computer Science 2020-03-04 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Yizhou Sun

Printed Circuit Board (PCB) schematic design plays an essential role in all areas of electronic industries. Unlike prior works that focus on digital or analog circuits alone, PCB design must handle heterogeneous digital, analog, and power…

Artificial Intelligence · Computer Science 2026-02-03 Huanghaohe Zou , Peng Han , Emad Nazerian , Alex Q. Huang

Graph similarity search is among the most important graph-based applications, e.g. finding the chemical compounds that are most similar to a query compound. Graph similarity computation, such as Graph Edit Distance (GED) and Maximum Common…

Machine Learning · Computer Science 2020-03-03 Yunsheng Bai , Hao Ding , Song Bian , Ting Chen , Yizhou Sun , Wei Wang

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Equations system constructors of hierarchical circuits play a central role in device modeling, nonlinear equations solving, and circuit design automation. However, existing constructors present limitations in applications to different…

Factors such as the proliferation of renewable energy and electrification contribute to grid congestion as a pressing problem. Topology control is an appealing method for relieving congestion, but traditional approaches for topology…

Machine Learning · Computer Science 2025-10-06 Matthijs de Jong , Jan Viebahn , Yuliya Shapovalova

Graph neural networks (GNNs) with unsupervised learning can solve large-scale combinatorial optimization problems (COPs) with efficient time complexity, making them versatile for various applications. However, since this method maps the…

Machine Learning · Computer Science 2024-12-16 Peng Tao , Kazuyuki Aihara , Luonan Chen

Graph Neural Networks (GNNs) are a powerful tool for handling structured graph data and addressing tasks such as node classification, graph classification, and clustering. However, the sparse nature of GNN computation poses new challenges…

Machine Learning · Computer Science 2023-08-24 Julia Bazinska , Andrei Ivanov , Tal Ben-Nun , Nikoli Dryden , Maciej Besta , Siyuan Shen , Torsten Hoefler

Graph neural networks (GNNs) have emerged as a popular strategy for handling non-Euclidean data due to their state-of-the-art performance. However, most of the current GNN model designs mainly focus on task accuracy, lacking in considering…

Machine Learning · Computer Science 2023-04-14 Ao Zhou , Jianlei Yang , Yingjie Qi , Yumeng Shi , Tong Qiao , Weisheng Zhao , Chunming Hu

Graph Neural Networks (GNNs) have been widely adopted for their ability to compute expressive node representations in graph datasets. However, serving GNNs on large graphs is challenging due to the high communication, computation, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-16 Geon-Woo Kim , Donghyun Kim , Jeongyoon Moon , Henry Liu , Tarannum Khan , Anand Iyer , Daehyeok Kim , Aditya Akella

Graph Neural Networks (GNNs) are a form of deep learning that enable a wide range of machine learning applications on graph-structured data. The learning of GNNs, however, is known to pose challenges for memory-constrained devices such as…

Machine Learning · Computer Science 2023-05-01 Jeroen Bollen , Jasper Steegmans , Jan Van den Bussche , Stijn Vansummeren

Knowledge representation learning has been commonly adopted to incorporate knowledge graph (KG) into various online services. Although existing knowledge representation learning methods have achieved considerable performance improvement,…

Machine Learning · Computer Science 2022-05-18 Binbin Hu , Zhiyang Hu , Zhiqiang Zhang , Jun Zhou , Chuan Shi

Graph Neural Networks (GNNs) have gained significant attention in recent years due to their ability to learn representations of graph-structured data. Two common methods for training GNNs are mini-batch training and full-graph training.…

Machine Learning · Computer Science 2024-12-24 Saurabh Bajaj , Hojae Son , Juelin Liu , Hui Guan , Marco Serafini