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Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to be the main reason for the superiority of Graph Neural Networks (GNNs) over traditional Neural…

Graph Neural Networks (GNNs) often assume strong homophily for graph classification, seldom considering heterophily, which means connected nodes tend to have different class labels and dissimilar features. In real-world scenarios, graphs…

机器学习 · 计算机科学 2024-05-10 Jiayi Yang , Sourav Medya , Wei Ye

In the past, the dichotomy between homophily and heterophily has inspired research contributions toward a better understanding of Deep Graph Networks' inductive bias. In particular, it was believed that homophily strongly correlates with…

机器学习 · 计算机科学 2023-08-21 Daniele Castellana , Federico Errica

Graph Neural Networks (GNNs) have emerged as the de facto standard for modeling graph data, with attention mechanisms and transformers significantly enhancing their performance on graph-based tasks. Despite these advancements, the…

机器学习 · 计算机科学 2025-04-07 Nikhil Shivakumar Nayak

Many scientific fields study data with an underlying structure that is a non-Euclidean space. Some examples include social networks in computational social sciences, sensor networks in communications, functional networks in brain imaging,…

计算机视觉与模式识别 · 计算机科学 2017-08-02 Michael M. Bronstein , Joan Bruna , Yann LeCun , Arthur Szlam , Pierre Vandergheynst

The field of geometric deep learning has had a profound impact on the development of innovative and powerful graph neural network architectures. Disciplines such as computer vision and computational biology have benefited significantly from…

机器学习 · 计算机科学 2023-04-28 Alex Morehead , Jianlin Cheng

The determination of charged particle trajectories in collisions at the CERN Large Hadron Collider (LHC) is an important but challenging problem, especially in the high interaction density conditions expected during the future…

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…

Biomedical networks (or graphs) are universal descriptors for systems of interacting elements, from molecular interactions and disease co-morbidity to healthcare systems and scientific knowledge. Advances in artificial intelligence,…

机器学习 · 计算机科学 2025-02-07 Michelle M. Li , Kexin Huang , Marinka Zitnik

Graph Neural Networks (GNNs) have proven to be powerful in many graph-based applications. However, they fail to generalize well under heterophilic setups, where neighbor nodes have different labels. To address this challenge, we employ a…

机器学习 · 计算机科学 2023-04-13 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

Graph Convolutional Networks (GCN) have been effective at tasks that have rich relational structure and can preserve global structure information of a dataset in graph embeddings. Recently, many researchers focused on examining whether GCNs…

计算与语言 · 计算机科学 2022-03-31 Soyeon Caren Han , Zihan Yuan , Kunze Wang , Siqu Long , Josiah Poon

Graph convolutional network (GCN) provides a powerful means for graph-based semi-supervised tasks. However, as a localized first-order approximation of spectral graph convolution, the classic GCN can not take full advantage of unlabeled…

机器学习 · 计算机科学 2018-09-27 Yawei Luo , Tao Guan , Junqing Yu , Ping Liu , Yi Yang

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in handling graph-structured data; however, they exhibit failures after deployment, which can cause severe consequences. Hence, conducting thorough testing before deployment…

软件工程 · 计算机科学 2025-12-23 Lichen Yang , Qiang Wang , Zhonghao Yang , Daojing He , Yu Li

When applying automatic analysis of fluorescence or histopathological images of cells, it is necessary to partition, or de-clump, partially overlapping cell nuclei. In this work, I describe a method of partitioning partially overlapping…

计算机视觉与模式识别 · 计算机科学 2018-04-13 James Kapaldo

In the complex landscape of hematologic samples such as peripheral blood or bone marrow, cell classification, delineating diverse populations into a hierarchical structure, presents profound challenges. This study presents LeukoGraph, a…

机器学习 · 计算机科学 2024-03-01 Fatemeh Nassajian Mojarrad , Lorenzo Bini , Thomas Matthes , Stéphane Marchand-Maillet

We propose a novel benchmarking methodology for graph neural networks (GNNs) based on the graph alignment problem, a combinatorial optimization task that generalizes graph isomorphism by aligning two unlabeled graphs to maximize overlapping…

机器学习 · 计算机科学 2025-05-20 Adrien Lagesse , Marc Lelarge

Material characterization using electron micrographs is a crucial but challenging task with applications in various fields, such as semiconductors, quantum materials, batteries, etc. The challenges in categorizing electron micrographs…

机器学习 · 计算机科学 2024-08-22 Sakhinana Sagar Srinivas , Rajat Kumar Sarkar , Sreeja Gangasani , Venkataramana Runkana

Graph convolutional neural networks (GCNN) have numerous applications in different graph based learning tasks. Although the techniques obtain impressive results, they often fall short in accounting for the uncertainty associated with the…

机器学习 · 计算机科学 2019-11-13 Soumyasundar Pal , Florence Regol , Mark Coates

Node classification tasks on graphs are addressed via fully-trained deep message-passing models that learn a hierarchy of node representations via multiple aggregations of a node's neighbourhood. While effective on graphs that exhibit a…

机器学习 · 计算机科学 2023-07-19 Alessio Micheli , Domenico Tortorella

Three-dimensional volumetric imaging of cells allows for in situ visualization, thus preserving contextual insights into cellular processes. Despite recent advances in machine learning methods, morphological analysis of sub-nuclear…