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Graph deep learning (GDL) has demonstrated impressive performance in predicting population-based brain disorders (BDs) through the integration of both imaging and non-imaging data. However, the effectiveness of GDL based methods heavily…

Computer Vision and Pattern Recognition · Computer Science 2025-03-31 Luhui Cai , Weiming Zeng , Hongyu Chen , Hua Zhang , Yueyang Li , Yu Feng , Hongjie Yan , Lingbin Bian , Wai Ting Siok , Nizhuan Wang

Interpretable malware detection is crucial for understanding harmful behaviors and building trust in automated security systems. Traditional explainable methods for Graph Neural Networks (GNNs) often highlight important regions within a…

Cryptography and Security · Computer Science 2025-04-30 Hossein Shokouhinejad , Roozbeh Razavi-Far , Griffin Higgins , Ali A. Ghorbani

Graph neural networks (GNNs) are often trained on individual datasets, requiring specialized models and significant hyperparameter tuning due to the unique structures and features of each dataset. This approach limits the scalability and…

Machine Learning · Computer Science 2026-02-17 Divyansha Lachi , Mehdi Azabou , Vinam Arora , Eva Dyer

Significant disparities between the features of natural images and those inherent to histopathological images make it challenging to directly apply and transfer pre-trained models from natural images to histopathology tasks. Moreover, the…

Computer Vision and Pattern Recognition · Computer Science 2024-12-17 Zhenfeng Zhuang , Min Cen , Yanfeng Li , Fangyu Zhou , Lequan Yu , Baptiste Magnier , Liansheng Wang

Recent years have witnessed great success in handling node classification tasks with Graph Neural Networks (GNNs). However, most existing GNNs are based on the assumption that node samples for different classes are balanced, while for many…

Machine Learning · Computer Science 2021-06-22 Lirong Wu , Haitao Lin , Zhangyang Gao , Cheng Tan , Stan. Z. Li

How can we enhance the node features acquired from Pretrained Models (PMs) to better suit downstream graph learning tasks? Graph Neural Networks (GNNs) have become the state-of-the-art approach for many high-impact, real-world graph…

Machine Learning · Computer Science 2025-04-01 Jing Zhu , Xiang Song , Vassilis N. Ioannidis , Danai Koutra , Christos Faloutsos

Graph contrastive learning defines a contrastive task to pull similar instances close and push dissimilar instances away. It learns discriminative node embeddings without supervised labels, which has aroused increasing attention in the past…

Machine Learning · Computer Science 2023-04-25 Lin Shu , Chuan Chen , Zibin Zheng

Graph convolutional networks (GCNs) have achieved remarkable learning ability for dealing with various graph structural data recently. In general, deep GCNs do not work well since graph convolution in conventional GCNs is a special form of…

Machine Learning · Computer Science 2021-12-08 Zhilong Xiong , Jia Cai

Deep learning on graphs and in particular, graph convolutional neural networks, have recently attracted significant attention in the machine learning community. Many of such techniques explore the analogy between the graph Laplacian…

Machine Learning · Computer Science 2018-02-07 Federico Monti , Karl Otness , Michael M. Bronstein

Graph Neural Networks (GNNs) exploit signals from node features and the input graph topology to improve node classification task performance. However, these models tend to perform poorly on heterophilic graphs, where connected nodes have…

Machine Learning · Computer Science 2021-12-08 Vijay Lingam , Chanakya Ekbote , Manan Sharma , Rahul Ragesh , Arun Iyer , Sundararajan Sellamanickam

This work presents a graph neural network (GNN) framework for solving the maximum independent set (MIS) problem, inspired by dynamic programming (DP). Specifically, given a graph, we propose a DP-like recursive algorithm based on GNNs that…

Machine Learning · Computer Science 2023-10-31 Lorenzo Brusca , Lars C. P. M. Quaedvlieg , Stratis Skoulakis , Grigorios G Chrysos , Volkan Cevher

Graph Neural Networks (GNNs) have demonstrated remarkable performance in a wide range of tasks, such as node classification, link prediction, and graph classification, by exploiting the structural information in graph-structured data.…

Machine Learning · Computer Science 2026-01-09 Oscar Llorente , Jaime Boal , Eugenio F. Sánchez-Úbeda , Antonio Diaz-Cano , Miguel Familiar

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Machine Learning · Computer Science 2024-02-21 Xiandong Zou , Xiangyu Zhao , Pietro Liò , Yiren Zhao

Molecular representation learning is crucial for the problem of molecular property prediction, where graph neural networks (GNNs) serve as an effective solution due to their structure modeling capabilities. Since labeled data is often…

Machine Learning · Computer Science 2023-09-26 Cameron Diao , Kaixiong Zhou , Zirui Liu , Xiao Huang , Xia Hu

Extracting informative representations of molecules using Graph neural networks (GNNs) is crucial in AI-driven drug discovery. Recently, the graph research community has been trying to replicate the success of self-supervised pretraining in…

Machine Learning · Computer Science 2022-11-03 Ruoxi Sun , Hanjun Dai , Adams Wei Yu

Graph Neural Networks (GNNs) are widely adopted in advanced AI systems due to their capability of representation learning on graph data. Even though GNN explanation is crucial to increase user trust in the systems, it is challenging due to…

Machine Learning · Computer Science 2022-08-08 Tien-Cuong Bui , Wen-syan Li , Sang-Kyun Cha

Foundation models like ChatGPT and GPT-4 have revolutionized artificial intelligence, exhibiting remarkable abilities to generalize across a wide array of tasks and applications beyond their initial training objectives. However, graph…

Machine Learning · Computer Science 2025-01-22 Yufei He , Yuan Sui , Xiaoxin He , Bryan Hooi

We present the Topology Transformation Equivariant Representation learning, a general paradigm of self-supervised learning for node representations of graph data to enable the wide applicability of Graph Convolutional Neural Networks…

Machine Learning · Computer Science 2021-12-03 Xiang Gao , Wei Hu , Guo-Jun Qi

In recent years, graph prompting has emerged as a promising research direction, enabling the learning of additional tokens or subgraphs appended to the original graphs without requiring retraining of pre-trained graph models across various…

Machine Learning · Computer Science 2025-05-28 Qunzhong Wang , Xiangguo Sun , Hong Cheng

By leveraging recent progress of stochastic gradient descent methods, several works have shown that graphs could be efficiently laid out through the optimization of a tailored objective function. In the meantime, Deep Learning (DL)…

Machine Learning · Computer Science 2021-08-11 Loann Giovannangeli , Frederic Lalanne , David Auber , Romain Giot , Romain Bourqui