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This study presents a deep learning approach to predicting structural and electronic properties of materials using Graph Neural Networks (GNNs). Leveraging data from the Materials Project database, we construct graph representations of…

Disordered Systems and Neural Networks · Physics 2024-12-20 Selva Chandrasekaran Selvaraj

Power flow analysis plays a crucial role in examining the electricity flow within a power system network. By performing power flow calculations, the system's steady-state variables, including voltage magnitude, phase angle at each bus,…

Systems and Control · Electrical Eng. & Systems 2023-07-06 Mingjian Tuo , Xingpeng Li , Tianxia Zhao

Graph Neural Networks (GNN) have emerged as a popular and standard approach for learning from graph-structured data. The literature on GNN highlights the potential of this evolving research area and its widespread adoption in real-life…

Machine Learning · Computer Science 2024-03-25 Sukhdeep Singh , Anuj Sharma , Vinod Kumar Chauhan

Most of the successful deep neural network architectures are structured, often consisting of elements like convolutional neural networks and gated recurrent neural networks. Recently, graph neural networks have been successfully applied to…

Machine Learning · Computer Science 2019-06-04 Zhen Zhang , Fan Wu , Wee Sun Lee

Graph neural networks (GNNs) model representations from networked data and allow for decentralized inference through localized communications. Existing GNN architectures often assume ideal communications and ignore potential channel…

Signal Processing · Electrical Eng. & Systems 2024-05-22 Zhan Gao , Deniz Gunduz

Time, cost, and energy efficiency are critical considerations in Deep-Learning (DL), particularly when processing long texts. Transformers, which represent the current state of the art, exhibit quadratic computational complexity relative to…

Computation and Language · Computer Science 2025-07-11 Fardin Rastakhiz

Predicting DNA-protein binding is an important and classic problem in bioinformatics. Convolutional neural networks have outperformed conventional methods in modeling the sequence specificity of DNA-protein binding. However, none of the…

Genomics · Quantitative Biology 2021-06-04 Yuhang Guo , Xiao Luo , Liang Chen , Minghua Deng

We investigate machine learning approaches to approximating the \emph{domination number} of graphs, the minimum size of a dominating set. Exact computation of this parameter is NP-hard, restricting classical methods to small instances. We…

Machine Learning · Computer Science 2025-11-25 Randy Davila , Beyzanur Ispir

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

Traffic prediction is a spatiotemporal predictive task that plays an essential role in intelligent transportation systems. Today, graph convolutional neural networks (GCNNs) have become the prevailing models in the traffic prediction…

Machine Learning · Computer Science 2023-06-01 Ta Jiun Ting , Xiaocan Li , Scott Sanner , Baher Abdulhai

Recently, Graph Convolutional Networks (GCNs) have proven to be a powerful mean for Computer Aided Diagnosis (CADx). This approach requires building a population graph to aggregate structural information, where the graph adjacency matrix…

Artificial Intelligence · Computer Science 2021-06-17 Hao Chen , Fuzhen Zhuang , Li Xiao , Ling Ma , Haiyan Liu , Ruifang Zhang , Huiqin Jiang , Qing He

Graph Neural Networks (GNNs) rely on graph convolutions to exploit meaningful patterns in networked data. Based on matrix multiplications, convolutions incur in high computational costs leading to scalability limitations in practice. To…

Machine Learning · Computer Science 2022-10-28 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

We propose an adaptive node feature selection approach for graph neural networks (GNNs) that identifies and removes unnecessary features during training. The ability to measure how features contribute to model output is key for interpreting…

Machine Learning · Computer Science 2026-05-04 Ali Azizpour , Madeline Navarro , Santiago Segarra

We present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data. Through the introduction of a diffusion-convolution operation, we show how diffusion-based representations can be learned from…

Machine Learning · Computer Science 2016-07-11 James Atwood , Don Towsley

Cascade prediction aims at modeling information diffusion in the network. Most previous methods concentrate on mining either structural or sequential features from the network and the propagation path. Recent efforts devoted to combining…

Machine Learning · Computer Science 2021-12-08 Yansong Wang , Xiaomeng Wang , Tao Jia

Graph Convolutional Neural Networks (Graph CNNs) are generalizations of classical CNNs to handle graph data such as molecular data, point could and social networks. Current filters in graph CNNs are built for fixed and shared graph…

Machine Learning · Computer Science 2018-01-11 Ruoyu Li , Sheng Wang , Feiyun Zhu , Junzhou Huang

Spatiotemporal data can be represented as a process over a graph, which captures their spatial relationships either explicitly or implicitly. How to leverage such a structure for learning representations is one of the key challenges when…

Machine Learning · Computer Science 2021-03-03 Elvin Isufi , Gabriele Mazzola

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

Disordered Systems and Neural Networks · Physics 2026-02-23 O. Duranthon , L. Zdeborová

This paper introduces a generalization of Convolutional Neural Networks (CNNs) from low-dimensional grid data, such as images, to graph-structured data. We propose a novel spatial convolution utilizing a random walk to uncover the relations…

Machine Learning · Statistics 2017-04-27 Yotam Hechtlinger , Purvasha Chakravarti , Jining Qin

Convolutional Neural Networks (CNN) possess many positive qualities when it comes to spatial raster data. Translation invariance enables CNNs to detect features regardless of their position in the scene. However, in some domains, like…

Machine Learning · Computer Science 2020-07-13 Arnas Uselis , Mantas Lukoševičius , Lukas Stasytis
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