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Graph neural networks (GNNs) aim to learn well-trained representations in a lower-dimension space for downstream tasks while preserving the topological structures. In recent years, attention mechanism, which is brilliant in the fields of…

Social and Information Networks · Computer Science 2026-05-12 Chengcheng Sun , Chenhao Li , Xiang Lin , Tianji Zheng , Fanrong Meng , Xiaobin Rui , Zhixiao Wang

Message-passing Graph Neural Networks (GNNs) are often criticized for their limited expressiveness, issues like over-smoothing and over-squashing, and challenges in capturing long-range dependencies. Conversely, Graph Transformers (GTs) are…

Machine Learning · Computer Science 2025-11-04 Yuankai Luo , Lei Shi , Xiao-Ming Wu

Detecting unusual patterns in graph data is a crucial task in data mining. However, existing methods face challenges in consistently achieving satisfactory performance and often lack interpretability, which hinders our understanding of…

Machine Learning · Computer Science 2024-06-28 Yifei Yang , Peng Wang , Xiaofan He , Dongmian Zou

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture.…

Machine Learning · Computer Science 2019-09-11 Kaixiong Zhou , Qingquan Song , Xiao Huang , Xia Hu

Differentiable Architecture Search (DARTS) has attracted a lot of attention due to its simplicity and small search costs achieved by a continuous relaxation and an approximation of the resulting bi-level optimization problem. However, DARTS…

Machine Learning · Computer Science 2020-01-29 Arber Zela , Thomas Elsken , Tonmoy Saikia , Yassine Marrakchi , Thomas Brox , Frank Hutter

Existing efforts are dedicated to designing many topologies and graph-aware strategies for the graph Transformer, which greatly improve the model's representation capabilities. However, manually determining the suitable Transformer…

Neural and Evolutionary Computing · Computer Science 2024-10-24 Chao Wang , Jiaxuan Zhao , Lingling Li , Licheng Jiao , Fang Liu , Shuyuan Yang

Differentiable architecture search (DARTS) has been a mainstream direction in automatic machine learning. Since the discovery that original DARTS will inevitably converge to poor architectures, recent works alleviate this by either…

Computer Vision and Pattern Recognition · Computer Science 2022-11-21 Bicheng Guo , Shuxuan Guo , Miaojing Shi , Peng Chen , Shibo He , Jiming Chen , Kaicheng Yu

We present the first differentiable Network Architecture Search (NAS) for Graph Neural Networks (GNNs). GNNs show promising performance on a wide range of tasks, but require a large amount of architecture engineering. First, graphs are…

Machine Learning · Computer Science 2020-03-24 Yiren Zhao , Duo Wang , Xitong Gao , Robert Mullins , Pietro Lio , Mateja Jamnik

We propose a graph-oriented attention-based explainability method for tabular data. Tasks involving tabular data have been solved mostly using traditional tree-based machine learning models which have the challenges of feature selection and…

Machine Learning · Computer Science 2024-06-05 Andrea Treviño Gavito , Diego Klabjan , Jean Utke

Graph Neural Networks (GNNs) achieve strong performance on node classification tasks but remain difficult to interpret, particularly with respect to which input features drive their predictions. Existing global GNN explainers operate at the…

Machine Learning · Computer Science 2026-05-06 Rishi Raj Sahoo , Subhankar Mishra

Graph Neural Networks (GNNs) often struggle with heterophilic data, where connected nodes may have dissimilar labels, as they typically assume homophily and rely on local message passing. To address this, we propose creating alternative…

Machine Learning · Computer Science 2025-06-11 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

Designing effective neural networks is a cornerstone of deep learning, and Neural Architecture Search (NAS) has emerged as a powerful tool for automating this process. Among the existing NAS approaches, Differentiable Architecture Search…

Machine Learning · Computer Science 2025-07-18 Pengjin Wu , Ferrante Neri , Zhenhua Feng

Existing studies have shown that Message-Passing Graph Neural Networks (MPNNs) are highly susceptible to adversarial attacks. In contrast, despite the increasing importance of Graph Transformers (GTs), their robustness properties are…

Machine Learning · Computer Science 2026-04-14 Philipp Foth , Lukas Gosch , Simon Geisler , Leo Schwinn , Stephan Günnemann

Graph contrastive learning is a general learning paradigm excelling at capturing invariant information from diverse perturbations in graphs. Recent works focus on exploring the structural rationale from graphs, thereby increasing the…

Machine Learning · Computer Science 2024-04-09 Qirui Ji , Jiangmeng Li , Jie Hu , Rui Wang , Changwen Zheng , Fanjiang Xu

Differentiable ARchiTecture Search (DARTS) is one of the most trending Neural Architecture Search (NAS) methods. It drastically reduces search cost by resorting to weight-sharing. However, it also dramatically reduces the search space, thus…

Machine Learning · Computer Science 2022-11-02 Alexandre Heuillet , Hedi Tabia , Hichem Arioui , Kamal Youcef-Toumi

Vision Transformers (ViTs) have redefined image classification by leveraging self-attention to capture complex patterns and long-range dependencies between image patches. However, a key challenge for ViTs is efficiently incorporating…

Computer Vision and Pattern Recognition · Computer Science 2025-01-09 Shravan Venkatraman , Jaskaran Singh Walia , Joe Dhanith P R

The Vision Transformer (ViT) has made significant advancements in computer vision, utilizing self-attention mechanisms to achieve state-of-the-art performance across various tasks, including image classification, object detection, and…

Computer Vision and Pattern Recognition · Computer Science 2025-04-29 Sehyeong Jo , Gangjae Jang , Haesol Park

Differentiable neural architecture search (DARTS), as a gradient-guided search method, greatly reduces the cost of computation and speeds up the search. In DARTS, the architecture parameters are introduced to the candidate operations, but…

Machine Learning · Computer Science 2022-08-02 Yu Xue , Jiafeng Qin

The growing adoption of Graph Neural Networks (GNNs) in high-stakes domains like healthcare and finance demands reliable explanations of their decision-making processes. While inherently interpretable GNN architectures like Graph…

Machine Learning · Computer Science 2025-05-27 Rishabh Bhattacharya , Hari Shankar , Vaishnavi Shivkumar , Ponnurangam Kumaraguru

Graph transformers are the state-of-the-art for learning from graph-structured data and are empirically known to avoid several pitfalls of message-passing architectures. However, there is limited theoretical analysis on why these models…

Machine Learning · Statistics 2026-03-19 Nil Ayday , Lingchu Yang , Debarghya Ghoshdastidar