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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

Graph neural networks (GNNs) have demonstrated success in learning representations of brain graphs derived from functional magnetic resonance imaging (fMRI) data. However, existing GNN methods assume brain graphs are static over time and…

Machine Learning · Computer Science 2023-07-11 Alexander Campbell , Antonio Giuliano Zippo , Luca Passamonti , Nicola Toschi , Pietro Lio

In the past two decades, significant advances have been made in understanding the structural and functional properties of biological networks, via graph-theoretic analysis. In general, most graph-theoretic studies are conducted in the…

Physics and Society · Physics 2013-10-21 Michelle Rudolph-Lilith , Lyle E. Muller

Neural networks are often represented as graphs of connections between neurons. However, despite their wide use, there is currently little understanding of the relationship between the graph structure of the neural network and its…

Machine Learning · Computer Science 2020-08-28 Jiaxuan You , Jure Leskovec , Kaiming He , Saining Xie

Concept Bottleneck Models (CBMs) provide explicit interpretations for deep neural networks through concepts and allow intervention with concepts to adjust final predictions. Existing CBMs assume concepts are conditionally independent given…

Machine Learning · Computer Science 2026-05-04 Haotian Xu , Tsui-Wei Weng , Lam M. Nguyen , Tengfei Ma

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by using the graph structures based on the relational inductive bias (homophily assumption). Though GNNs are believed to outperform NNs in real-world tasks, performance…

Machine Learning · Computer Science 2021-09-14 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Mingde Zhao , Shuyuan Zhang , Xiao-Wen Chang , Doina Precup

Graph learning is currently dominated by graph kernels, which, while powerful, suffer some significant limitations. Convolutional Neural Networks (CNNs) offer a very appealing alternative, but processing graphs with CNNs is not trivial. To…

Computer Vision and Pattern Recognition · Computer Science 2019-09-04 Antoine Jean-Pierre Tixier , Giannis Nikolentzos , Polykarpos Meladianos , Michalis Vazirgiannis

To effectively classify graph instances, graph neural networks need to have the capability to capture the part-whole relationship existing in a graph. A capsule is a group of neurons representing complicated properties of entities, which…

Machine Learning · Computer Science 2022-04-26 Yu Lei , Jing Zhang

The inception of spatial transcriptomics has allowed improved comprehension of tissue architectures and the disentanglement of complex underlying biological, physiological, and pathological processes through their positional contexts.…

Machine Learning · Computer Science 2023-02-02 Junaid Ahmed , Alhassan S. Yasin

Unified understanding of neuro networks (NNs) gets the users into great trouble because they have been puzzled by what kind of rules should be obeyed to optimize the internal structure of NNs. Considering the potential capability of random…

Machine Learning · Computer Science 2022-01-03 Ruiqi Mao , Rongxin Cui

Training deep graph neural networks (GNNs) is notoriously hard. Besides the standard plights in training deep architectures such as vanishing gradients and overfitting, it also uniquely suffers from over-smoothing, information squashing,…

Machine Learning · Computer Science 2022-05-10 Tianlong Chen , Kaixiong Zhou , Keyu Duan , Wenqing Zheng , Peihao Wang , Xia Hu , Zhangyang Wang

While convolutional neural networks (CNNs) have recently made great strides in supervised classification of data structured on a grid (e.g. images composed of pixel grids), in several interesting datasets, the relations between features can…

Machine Learning · Computer Science 2018-11-02 Shrey Gadiya , Deepak Anand , Amit Sethi

Based on the data of the NIH-funded Human Connectome Project, we have computed structural connectomes of 426 human subjects in five different resolutions of 83, 129, 234, 463 and 1015 nodes and several edge weights. The graphs are given in…

Neurons and Cognition · Quantitative Biology 2016-10-07 Csaba Kerepesi , Balazs Szalkai , Balint Varga , Vince Grolmusz

We perform a massive evaluation of neural networks with architectures corresponding to random graphs of various types. We investigate various structural and numerical properties of the graphs in relation to neural network test accuracy. We…

Machine Learning · Computer Science 2020-12-03 Romuald A. Janik , Aleksandra Nowak

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many important real world datasets, but provide no rigorous notion of predictive uncertainty. Quantifying the confidence of GNN models is difficult due to the…

Machine Learning · Statistics 2024-01-10 Jase Clarkson

Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering…

Machine Learning · Computer Science 2024-06-04 Zexi Liu , Bohan Tang , Ziyuan Ye , Xiaowen Dong , Siheng Chen , Yanfeng Wang

Fair graph learning plays a pivotal role in numerous practical applications. Recently, many fair graph learning methods have been proposed; however, their evaluation often relies on poorly constructed semi-synthetic datasets or substandard…

Machine Learning · Computer Science 2024-06-19 Xiaowei Qian , Zhimeng Guo , Jialiang Li , Haitao Mao , Bingheng Li , Suhang Wang , Yao Ma

The human braingraph, or connectome is a description of the connections of the brain: the nodes of the graph correspond to small areas of the gray matter, and two nodes are connected by an edge if a diffusion MRI-based workflow finds fibers…

Neurons and Cognition · Quantitative Biology 2015-07-02 Csaba Kerepesi , Balázs Szalkai , Bálint Varga , Vince Grolmusz

Understanding brain connectivity in a network-theoretic context has shown much promise in recent years. This type of analysis identifies brain organisational principles, bringing a new perspective to neuroscience. At the same time, large…

Neural and Evolutionary Computing · Computer Science 2016-11-28 Sarah Parisot , Jonathan Passerat-Palmbach , Markus D. Schirmer , Boris Gutman

Graph neural networks (GNNs) are powerful tools for learning from graph-structured data but often produce biased predictions with respect to sensitive attributes. Fairness-aware GNNs have been actively studied for mitigating biased…

Machine Learning · Computer Science 2025-10-22 Yuya Sasaki