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Functional connectivity (FC) studies have demonstrated the overarching value of studying the brain and its disorders through the undirected weighted graph of fMRI correlation matrix. Most of the work with the FC, however, depends on the way…

Neurons and Cognition · Quantitative Biology 2021-12-09 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

Recently, Graph Neural Networks (GNNs) have significantly advanced the performance of machine learning tasks on graphs. However, this technological breakthrough makes people wonder: how does a GNN make such decisions, and can we trust its…

Machine Learning · Computer Science 2024-02-26 Xiaoqi Wang , Han-Wei Shen

The gut microbiome, crucial for human health, presents challenges in analyzing its complex metaomic data due to high dimensionality and sparsity. Traditional methods struggle to capture its intricate relationships. We investigate graph…

Machine Learning · Computer Science 2025-06-24 Christopher Irwin , Flavio Mignone , Stefania Montani , Luigi Portinale

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

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 Neural Networks (GNNs) have emerged as powerful representation learning tools for capturing complex dependencies within diverse graph-structured data. Despite their success in a wide range of graph mining tasks, GNNs have raised…

Machine Learning · Computer Science 2024-06-19 Wenzhao Jiang , Hao Liu , Hui Xiong

Divergent brain connectivity is thought to underlie the behavioral and cognitive symptoms observed in many neurodevelopmental disorders. Quantifying divergence from neurotypical connectivity patterns offers a promising pathway to inform…

Neurons and Cognition · Quantitative Biology 2024-11-19 Rui Sherry Shen , Yusuf Osmanlıoğlu , Drew Parker , Darien Aunapu , Benjamin E. Yerys , Birkan Tunç , Ragini Verma

The lack of interpretability is an inevitable problem when using neural network models in real applications. In this paper, an explainable neural network based on generalized additive models with structured interactions (GAMI-Net) is…

Machine Learning · Statistics 2021-06-03 Zebin Yang , Aijun Zhang , Agus Sudjianto

Neural networks have achieved remarkable success across various fields. However, the lack of interpretability limits their practical use, particularly in critical decision-making scenarios. Post-hoc interpretability, which provides…

Machine Learning · Computer Science 2025-11-21 Yang Ji , Ying Sun , Yuting Zhang , Zhigaoyuan Wang , Yuanxin Zhuang , Zheng Gong , Dazhong Shen , Chuan Qin , Hengshu Zhu , Hui Xiong

Entity interaction prediction is essential in many important applications such as chemistry, biology, material science, and medical science. The problem becomes quite challenging when each entity is represented by a complex structure,…

Machine Learning · Computer Science 2021-04-13 Hanchen Wang , Defu Lian , Ying Zhang , Lu Qin , Xuemin Lin

Single neurons in neural networks are often interpretable in that they represent individual, intuitively meaningful features. However, many neurons exhibit $\textit{mixed selectivity}$, i.e., they represent multiple unrelated features. A…

Machine Learning · Statistics 2023-10-19 David Klindt , Sophia Sanborn , Francisco Acosta , Frédéric Poitevin , Nina Miolane

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

Graph Transformer shows remarkable potential in brain network analysis due to its ability to model graph structures and complex node relationships. Most existing methods typically model the brain as a flat network, ignoring its modular…

Machine Learning · Computer Science 2025-11-25 Jiajun Ma , Yongchao Zhang , Chao Zhang , Zhao Lv , Shengbing Pei

Graph Neural Networks (GNNs) excel in graph-based learning tasks, but their complex, non-linear operations often render them as opaque "black boxes". This opacity hinders user trust, complicates debugging, bias detection, and adoption in…

Artificial Intelligence · Computer Science 2025-11-18 TC Singh , Sougata Mukherjea

Graphs are a powerful data structure for representing relational data and are widely used to describe complex real-world systems. Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs) can both leverage graph-structured…

Machine Learning · Statistics 2025-08-26 Michela Lapenna , Caterina De Bacco

With recent advancements in non-invasive techniques for measuring brain activity, such as magnetic resonance imaging (MRI), the study of structural and functional brain networks through graph signal processing (GSP) has gained notable…

Machine Learning · Computer Science 2025-11-13 Martín Schmidt , Sara Silva , Federico Larroca , Gonzalo Mateos , Pablo Musé

Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant…

Quantitative Methods · Quantitative Biology 2026-03-18 Kishan KC , Rui Li , Paribesh Regmi , Anne R. Haake

-Background. Network neuroscience examines the brain as a complex system represented by a network (or connectome), providing deeper insights into the brain morphology and function, allowing the identification of atypical brain connectivity…

Neurons and Cognition · Quantitative Biology 2020-09-01 Mert Lostar , Islem Rekik

Graph neural networks (GNNs) provide powerful insights for brain neuroimaging technology from the view of graphical networks. However, most existing GNN-based models assume that the neuroimaging-produced brain connectome network is a…

Machine Learning · Computer Science 2022-09-30 Gen Shi , Yifan Zhu , Wenjin Liu , Quanming Yao , Xuesong Li