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The identification of essential genes/proteins is a critical step towards a better understanding of human biology and pathology. Computational approaches helped to mitigate experimental constraints by exploring machine learning (ML) methods…

Molecular Networks · Quantitative Biology 2021-08-02 João Schapke , Anderson Tavares , Mariana Recamonde-Mendoza

Graph neural networks (GNNs) have proven effective in capturing relationships among nodes in a graph. This study introduces a novel perspective by considering a graph as a simplicial complex, encompassing nodes, edges, triangles, and…

Machine Learning · Computer Science 2024-04-23 Jinghan Huang , Qiufeng Chen , Yijun Bian , Pengli Zhu , Nanguang Chen , Moo K. Chung , Anqi Qiu

Graph Neural Networks (GNNs) have shown remarkable merit in performing various learning-based tasks in complex networks. The superior performance of GNNs often correlates with the availability and quality of node-level features in the input…

Social and Information Networks · Computer Science 2023-10-20 Anwar Said , Mudassir Shabbir , Tyler Derr , Waseem Abbas , Xenofon Koutsoukos

Graph Attention Networks (GATs) have been intensively studied and widely used in graph data learning tasks. Existing GATs generally adopt the self-attention mechanism to conduct graph edge attention learning, requiring expensive…

Neural and Evolutionary Computing · Computer Science 2022-09-28 Beibei Wang , Bo Jiang

Graph neural networks (GNNs) have received much attention recently because of their excellent performance on graph-based tasks. However, existing research on GNNs focuses on designing more effective models without considering much about the…

Machine Learning · Computer Science 2021-04-20 Han Yang , Xiao Yan , Xinyan Dai , Yongqiang Chen , James Cheng

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the…

Machine Learning · Computer Science 2023-12-19 Vijay Prakash Dwivedi , Yozen Liu , Anh Tuan Luu , Xavier Bresson , Neil Shah , Tong Zhao

Recently, the pretrain-finetuning paradigm has attracted tons of attention in graph learning community due to its power of alleviating the lack of labels problem in many real-world applications. Current studies use existing techniques, such…

Machine Learning · Computer Science 2022-05-11 Jiying Zhang , Xi Xiao , Long-Kai Huang , Yu Rong , Yatao Bian

This paper presents a novel approach to neural network pruning by integrating a graph-based observation space into an AutoML framework to address the limitations of existing methods. Traditional pruning approaches often depend on…

Machine Learning · Computer Science 2025-09-16 Dieter Balemans , Thomas Huybrechts , Jan Steckel , Siegfried Mercelis

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

Recent advances in molecular representation learning have produced highly effective encodings of molecules for numerous cheminformatics and bioinformatics tasks. However, extracting general chemical insight while balancing predictive…

Machine Learning · Computer Science 2025-09-26 Rahul Khorana

Graph neural networks have become the standard approach for dealing with learning problems on graphs. Among the different variants of graph neural networks, graph attention networks (GATs) have been applied with great success to different…

Machine Learning · Computer Science 2023-07-18 Michail Chatzianastasis , Giannis Nikolentzos , Michalis Vazirgiannis

Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the…

Machine Learning · Computer Science 2023-06-06 Soo Yong Lee , Fanchen Bu , Jaemin Yoo , Kijung Shin

Heterogeneous graph neural networks (HGNNs) have powerful capability to embed rich structural and semantic information of a heterogeneous graph into node representations. Existing HGNNs inherit many mechanisms from graph neural networks…

Machine Learning · Computer Science 2023-09-04 Xiaocheng Yang , Mingyu Yan , Shirui Pan , Xiaochun Ye , Dongrui Fan

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

Machine Learning · Computer Science 2025-12-30 Huashen Lu , Wensheng Gan , Guoting Chen , Zhichao Huang , Philip S. Yu

The use of graph neural networks has produced significant advances in point cloud problems, such as those found in high energy physics. The question of how to produce a graph structure in these problems is usually treated as a matter of…

Machine Learning · Computer Science 2023-08-01 Daniel Murnane

This paper presents a contextualized graph attention network that combines edge features and multiple sub-graphs for improving relation extraction. A novel method is proposed to use multiple sub-graphs to learn rich node representations in…

Computation and Language · Computer Science 2020-04-23 Angrosh Mandya , Danushka Bollegala , Frans Coenen

Real-world heterogeneous graphs are inherently noisy and usually not in the optimal graph structures for downstream tasks, which often adversely affects the performance of GRL models in downstream tasks. Although Graph Structure Learning…

Machine Learning · Computer Science 2026-04-08 He Zhao , Zhiwei Zeng , Yongwei Wang , Chunyan Miao

Graph Neural Networks (GNNs) are deep learning methods which provide the current state of the art performance in node classification tasks. GNNs often assume homophily -- neighboring nodes having similar features and labels--, and therefore…

Machine Learning · Computer Science 2021-10-26 Liheng Ma , Reihaneh Rabbany , Adriana Romero-Soriano

Classifying research output into context-specific label taxonomies is a challenging and relevant downstream task, given the volume of existing and newly published articles. We propose a method to enhance the performance of article…

Machine Learning · Computer Science 2024-05-29 Khang Ly , Yury Kashnitsky , Savvas Chamezopoulos , Valeria Krzhizhanovskaya

Graph Neural Networks (GNNs) with attention have been successfully applied for learning visual feature matching. However, current methods learn with complete graphs, resulting in a quadratic complexity in the number of features. Motivated…

Computer Vision and Pattern Recognition · Computer Science 2023-03-20 Yan Shi , Jun-Xiong Cai , Yoli Shavit , Tai-Jiang Mu , Wensen Feng , Kai Zhang