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Many complex engineering systems can be represented in a topological form, such as graphs. This paper utilizes a machine learning technique called Geometric Deep Learning (GDL) to aid designers with challenging, graph-centric design…

Computational Engineering, Finance, and Science · Computer Science 2023-08-07 Anthony Sirico , Daniel R. Herber

Recent advances in multimodal single-cell technologies have enabled simultaneous acquisitions of multiple omics data from the same cell, providing deeper insights into cellular states and dynamics. However, it is challenging to learn the…

Machine Learning · Computer Science 2022-11-08 Hongzhi Wen , Jiayuan Ding , Wei Jin , Yiqi Wang , Yuying Xie , Jiliang Tang

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

Flash points of organic molecules play an important role in preventing flammability hazards and large databases of measured values exist, although millions of compounds remain unmeasured. To rapidly extend existing data to new compounds…

Graph Neural Networks (GNNs) have emerged as a powerful approach for graph-based machine learning tasks. Previous work applied GNNs to image-derived graph representations for various downstream tasks such as classification or anomaly…

Computer Vision and Pattern Recognition · Computer Science 2025-08-19 Dehn Xu , Tim Katzke , Emmanuel Müller

Graph Neural Networks (GNNs) have achieved state-of-the-art results on many graph analysis tasks such as node classification and link prediction. However, important unsupervised problems on graphs, such as graph clustering, have proved more…

Machine Learning · Computer Science 2023-06-02 Anton Tsitsulin , John Palowitch , Bryan Perozzi , Emmanuel Müller

Graphs are widely used as a natural framework that captures interactions between individual elements represented as nodes in a graph. In medical applications, specifically, nodes can represent individuals within a potentially large…

Graph convolutional networks (GCNs) have been employed as a kind of significant tool on many graph-based applications recently. Inspired by convolutional neural networks (CNNs), GCNs generate the embeddings of nodes by aggregating the…

Machine Learning · Computer Science 2020-11-20 Tao Huang , Yihan Zhang , Jiajing Wu , Junyuan Fang , Zibin Zheng

Attention Graph Neural Networks (AT-GNNs), such as GAT and Graph Transformer, have demonstrated superior performance compared to other GNNs. However, existing GNN systems struggle to efficiently train AT-GNNs on GPUs due to their intricate…

Machine Learning · Computer Science 2024-11-26 Jiahui Liu , Zhenkun Cai , Zhiyong Chen , Minjie Wang

Meta-learning has received a tremendous recent attention as a possible approach for mimicking human intelligence, i.e., acquiring new knowledge and skills with little or even no demonstration. Most of the existing meta-learning methods are…

Machine Learning · Computer Science 2019-05-24 Fan Zhou , Chengtai Cao , Kunpeng Zhang , Goce Trajcevski , Ting Zhong , Ji Geng

Classification and identification of the materials lying over or beneath the Earth's surface have long been a fundamental but challenging research topic in geoscience and remote sensing (RS) and have garnered a growing concern owing to the…

Computer Vision and Pattern Recognition · Computer Science 2020-08-13 Danfeng Hong , Lianru Gao , Naoto Yokoya , Jing Yao , Jocelyn Chanussot , Qian Du , Bing Zhang

Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective…

Machine Learning · Computer Science 2020-06-30 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Kai-Wei Chang , Yizhou Sun

Graph data in real-world scenarios undergo rapid and frequent changes, making it challenging for existing graph models to effectively handle the continuous influx of new data and accommodate data withdrawal requests. The approach to…

Machine Learning · Computer Science 2025-08-26 Jiaxing Miao , Liang Hu , Qi Zhang , Longbing Cao

The pre-training on the graph neural network model can learn the general features of large-scale networks or networks of the same type by self-supervised methods, which allows the model to work even when node labels are missing. However,…

Machine Learning · Computer Science 2022-04-19 Ke-jia Chen , Jiajun Zhang , Linpu Jiang , Yunyun Wang , Yuxuan Dai

Graph neural networks (GNNs) have become compelling models designed to perform learning and inference on graph-structured data. However, little work has been done to understand the fundamental limitations of GNNs for scaling to larger…

Machine Learning · Computer Science 2023-10-27 Hyungeun Lee , Kijung Yoon

Human brains lie at the core of complex neurobiological systems, where the neurons, circuits, and subsystems interact in enigmatic ways. Understanding the structural and functional mechanisms of the brain has long been an intriguing pursuit…

Neurons and Cognition · Quantitative Biology 2022-07-26 Hejie Cui , Wei Dai , Yanqiao Zhu , Xiaoxiao Li , Lifang He , Carl Yang

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Multi-grade deep learning (MGDL) has been shown to significantly outperform the standard single-grade deep learning (SGDL) across various applications. This work aims to investigate the computational advantages of MGDL focusing on its…

Machine Learning · Computer Science 2025-07-29 Ronglong Fang , Yuesheng Xu

Multimodal reasoning with large language models (LLMs) often suffers from hallucinations and the presence of deficient or outdated knowledge within LLMs. Some approaches have sought to mitigate these issues by employing textual knowledge…

Computation and Language · Computer Science 2024-06-06 Junlin Lee , Yequan Wang , Jing Li , Min Zhang

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Machine Learning · Computer Science 2023-09-25 Yuecheng Cai , Jasmin Jelovica
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