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We explore the feasibility of combining Graph Neural Network-based policy architectures with Deep Reinforcement Learning as an approach to problems in systems. This fits particularly well with operations on networks, which naturally take…

Machine Learning · Computer Science 2021-12-02 Oliver Hope , Eiko Yoneki

Graph mining is an important area in data mining and machine learning that involves extracting valuable information from graph-structured data. In recent years, significant progress has been made in this field through the development of…

Machine Learning · Computer Science 2024-12-30 Yuxin You , Zhen Liu , Xiangchao Wen , Yongtao Zhang , Wei Ai

Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

Machine Learning · Computer Science 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Machine Learning · Computer Science 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

Measuring the generalization performance of a Deep Neural Network (DNN) without relying on a validation set is a difficult task. In this work, we propose exploiting Latent Geometry Graphs (LGGs) to represent the latent spaces of trained DNN…

Machine Learning · Computer Science 2020-11-26 Carlos Lassance , Louis Béthune , Myriam Bontonou , Mounia Hamidouche , Vincent Gripon

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Machine Learning · Computer Science 2024-06-24 Max Wasserman , Gonzalo Mateos

The integration of multi-omic data is pivotal for understanding complex diseases, but its high dimensionality and noise present significant challenges. Graph Neural Networks (GNNs) offer a robust framework for analyzing large-scale…

Quantitative Methods · Quantitative Biology 2024-12-23 Heming Zhang , Di Huang , Yixin Chen , Fuhai Li

Graph Neural Networks (GNNs) have gained traction in the complex domain of drug discovery because of their ability to process graph-structured data such as drug molecule models. This approach has resulted in a myriad of methods and models…

Machine Learning · Computer Science 2025-09-10 Katherine Berry , Liang Cheng

Graph-structured data consisting of objects (i.e., nodes) and relationships among objects (i.e., edges) are ubiquitous. Graph-level learning is a matter of studying a collection of graphs instead of a single graph. Traditional graph-level…

Machine Learning · Computer Science 2022-06-01 Ge Zhang , Jia Wu , Jian Yang , Shan Xue , Wenbin Hu , Chuan Zhou , Hao Peng , Quan Z. Sheng , Charu Aggarwal

Unraveling the complexities of Gene Regulatory Networks (GRNs) is crucial for understanding cellular processes and disease mechanisms. Traditional computational methods often struggle with the dynamic nature of these networks. This study…

Machine Learning · Computer Science 2025-03-04 Hakan T. Otal , Abdulhamit Subasi , Furkan Kurt , M. Abdullah Canbaz , Yasin Uzun

Social and information networks are gaining huge popularity recently due to their various applications. Knowledge representation through graphs in the form of nodes and edges should preserve as many characteristics of the original data as…

Machine Learning · Computer Science 2021-02-08 Rucha Bhalchandra Joshi , Subhankar Mishra

Graph Convolutional Network (GCN) has been widely used in graph learning tasks. However, GCN-based models (GCNs) is an inherently coupled training framework repetitively conducting the complex neighboring aggregation, which leads to the…

Machine Learning · Computer Science 2020-07-23 Dalong Yang , Chuan Chen , Youhao Zheng , Zibin Zheng , Shih-wei Liao

Graph Neural Networks (GNNs) show strong expressive power on graph data mining, by aggregating information from neighbors and using the integrated representation in the downstream tasks. The same aggregation methods and parameters for each…

Machine Learning · Computer Science 2022-03-22 Xiaojun Ma , Qin Chen , Yuanyi Ren , Guojie Song , Liang Wang

Training graph neural networks on large datasets has long been a challenge. Traditional approaches include efficiently representing the whole graph in-memory, designing parameter efficient and sampling-based models, and graph partitioning…

Machine Learning · Computer Science 2024-11-19 Dmytro Lopushanskyy , Borun Shi

Graph Networks (GNs) enable the fusion of prior knowledge and relational reasoning with flexible function approximations. In this work, a general GN-based model is proposed which takes full advantage of the relational modeling capabilities…

Computational Engineering, Finance, and Science · Computer Science 2021-07-01 Charilaos Mylonas , Imad Abdallah , Eleni Chatzi

Fraud detection problems are usually formulated as a machine learning problem on a graph. Recently, Graph Neural Networks (GNNs) have shown solid performance on fraud detection. The successes of most previous methods heavily rely on rich…

Machine Learning · Computer Science 2021-10-05 Chen Wang , Yingtong Dou , Min Chen , Jia Chen , Zhiwei Liu , Philip S. Yu

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

Machine Learning · Computer Science 2019-02-26 Keyulu Xu , Weihua Hu , Jure Leskovec , Stefanie Jegelka

Graph Neural Networks (GNNs) have been widely applied in the semi-supervised node classification task, where a key point lies in how to sufficiently leverage the limited but valuable label information. Most of the classical GNNs solely use…

Machine Learning · Computer Science 2022-12-26 Le Yu , Leilei Sun , Bowen Du , Tongyu Zhu , Weifeng Lv

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

Graph Neural Network (GNN) is a powerful tool to perform standard machine learning on graphs. To have a Euclidean representation of every node in the Non-Euclidean graph-like data, GNN follows neighbourhood aggregation and combination of…

Machine Learning · Computer Science 2021-11-18 Sucheta Dawn , Sanghamitra Bandyopadhyay
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