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Gene regulatory relationships can be abstracted as a gene regulatory network (GRN), which plays a key role in characterizing complex cellular processes and pathways. Recently, graph neural networks (GNNs), as a class of deep learning…

Molecular Networks · Quantitative Biology 2023-11-07 Hui Zhang , Xuexin An , Qiang He , Yudong Yao , Yudong Zhang , Feng-Lei Fan , Yueyang Teng

Generating realistic graph-structured data is challenging due to discrete connectivity, varying graph sizes, and class-specific structural patterns. Recent Generative Adversarial Networks (GAN)-based graph generation methods improve edge…

Machine Learning · Computer Science 2026-05-29 James Sargant , Seyedeh Ava Razi Razavi , Renata Dividino , Sheridan Houghten

We propose a novel application of graph attention networks (GATs), a type of graph neural network enhanced with attention mechanisms, to develop a deep learning algorithm for detecting collusive behavior, leveraging predictive features…

Econometrics · Economics 2025-07-18 David Imhof , Emanuel W Viklund , Martin Huber

Graph attention networks (GATs) provide one of the best frameworks for learning node representations in relational data; but, existing variants such as Graph Attention Network (GAT) mainly operate on static graphs and rely on implicit…

Machine Learning · Computer Science 2026-04-14 Ami Chopra , Supriya Bordoloi , Shyamanta M. Hazarika

Knowledge graphs offer a structured representation of real-world entities and their relationships, enabling a wide range of applications from information retrieval to automated reasoning. In this paper, we conduct a systematic comparison…

Machine Learning · Computer Science 2025-07-31 Thanh Hoang-Minh

Reliable and accurate wind speed prediction has significant impact in many industrial sectors such as economic, business and management among others. This paper presents a new model for wind speed prediction based on Graph Attention…

Machine Learning · Computer Science 2021-10-27 Dogan Aykas , Siamak Mehrkanoon

This study analyzes Graph Neural Networks (GNNs) for distribution system state estimation (DSSE) by employing an interpretable Graph Neural Additive Network (GNAN) and by utilizing an edge-conditioned message-passing mechanism. The…

Systems and Control · Electrical Eng. & Systems 2026-03-25 Arbel Yaniv , Kilian Golinski , Christoph Goebel

Multi-label classification aims to recognize multiple objects or attributes from images. However, it is challenging to learn from proper label graphs to effectively characterize such inter-label correlations or dependencies. Current methods…

Computer Vision and Pattern Recognition · Computer Science 2024-01-17 Jin Yuan , Shikai Chen , Yao Zhang , Zhongchao Shi , Xin Geng , Jianping Fan , Yong Rui

Geometric deep learning is an emerging technique in Artificial Intelligence (AI) driven cheminformatics, however the unique implications of different Graph Neural Network (GNN) architectures are poorly explored, for this space. This study…

Graph transformers are the state-of-the-art for learning from graph-structured data and are empirically known to avoid several pitfalls of message-passing architectures. However, there is limited theoretical analysis on why these models…

Machine Learning · Statistics 2026-03-19 Nil Ayday , Lingchu Yang , Debarghya Ghoshdastidar

With the growing use of deep learning methods, particularly graph neural networks, which encode intricate interconnectedness information, for a variety of real tasks, there is a necessity for explainability in such settings. In this paper,…

Machine Learning · Computer Science 2022-11-04 Harsh Patel , Shivam Sahni

We propose an Attention Enhanced Join-Graph Neural Networks(Attn-JGNN) model for solving #SAT problems, which significantly improves the solving accuracy. Inspired by the Iterative Join Graph Propagation (IJGP) algorithm, Attn-JGNN uses…

Machine Learning · Computer Science 2026-01-16 Jixin Zhang

Despite that going deep has proven successful in many neural architectures, the existing graph transformers are relatively shallow. In this work, we explore whether more layers are beneficial to graph transformers, and find that current…

Machine Learning · Computer Science 2023-03-02 Haiteng Zhao , Shuming Ma , Dongdong Zhang , Zhi-Hong Deng , Furu Wei

Graph Neural Networks (GNNs) have shown remarkable success in graph representation learning. Unfortunately, current weight assignment schemes in standard GNNs, such as the calculation based on node degrees or pair-wise representations, can…

Machine Learning · Computer Science 2024-07-02 Junfu Wang , Yuanfang Guo , Liang Yang , Yunhong Wang

Graph Neural Networks (GNNs) is an architecture for structural data, and has been adopted in a mass of tasks and achieved fabulous results, such as link prediction, node classification, graph classification and so on. Generally, for a…

Machine Learning · Computer Science 2022-05-12 Ye Tang , Xuesong Yang , Xinrui Liu , Xiwei Zhao , Zhangang Lin , Changping Peng

In conventional distributed learning over a network, multiple agents collaboratively build a common machine learning model. However, due to the underlying non-i.i.d. data distribution among agents, the unified learning model becomes…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-28 Zhuojun Tian , Zhaoyang Zhang , Zhaohui Yang , Richeng Jin , Huaiyu Dai

Driven by the outstanding performance of neural networks in the structured Euclidean domain, recent years have seen a surge of interest in developing neural networks for graphs and data supported on graphs. The graph is leveraged at each…

Machine Learning · Computer Science 2021-07-28 Elvin Isufi , Fernando Gama , Alejandro Ribeiro

Graph Neural Networks (GNNs) have achieved great success in various graph mining tasks.However, drastic performance degradation is always observed when a GNN is stacked with many layers. As a result, most GNNs only have shallow…

Machine Learning · Computer Science 2022-06-10 Wentao Zhang , Zeang Sheng , Ziqi Yin , Yuezihan Jiang , Yikuan Xia , Jun Gao , Zhi Yang , Bin Cui

Machine learning (ML) methods have gained increasing popularity in exploring and developing new materials. More specifically, graph neural network (GNN) has been applied in predicting material properties. In this work, we develop a novel…

Computational Physics · Physics 2020-08-18 Steph-Yves Louis , Yong Zhao , Alireza Nasiri , Xiran Wong , Yuqi Song , Fei Liu , Jianjun Hu

Adversarial training (AT) and its variants have spearheaded progress in improving neural network robustness to adversarial perturbations and common corruptions in the last few years. Algorithm design of AT and its variants are focused on…

Machine Learning · Computer Science 2022-06-15 Kaustubh Sridhar , Souradeep Dutta , Ramneet Kaur , James Weimer , Oleg Sokolsky , Insup Lee