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While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

Machine Learning · Computer Science 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

Graph neural networks (GNNs) have found extensive applications in learning from graph data. However, real-world graphs often possess diverse structures and comprise nodes and edges of varying types. To bolster the generalization capacity of…

Machine Learning · Computer Science 2023-10-18 Haotao Wang , Ziyu Jiang , Yuning You , Yan Han , Gaowen Liu , Jayanth Srinivasa , Ramana Rao Kompella , Zhangyang Wang

Graph neural networks excel at graph representation learning but struggle with heterophilous data and long-range dependencies. And graph transformers address these issues through self-attention, yet face scalability and noise challenges on…

Machine Learning · Computer Science 2025-02-13 Xuanze Chen , Jiajun Zhou , Shanqing Yu , Qi Xuan

Graph Neural Networks (GNNs) have demonstrated impressive performance on task-specific benchmarks, yet their ability to generalize across diverse domains and tasks remains limited. Existing approaches often struggle with negative transfer,…

Machine Learning · Computer Science 2025-11-06 Zhibin Wang , Zhixing Zhang , Shuqi Wang , Xuanting Xie , Zhao Kang

Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…

Machine Learning · Computer Science 2025-02-05 Jianming Huang , Hiroyuki Kasai

Multimodal graphs are gaining increasing attention due to their rich representational power and wide applicability, yet they introduce substantial challenges arising from severe modality confusion. To address this issue, we propose NSG…

Machine Learning · Computer Science 2026-02-03 Yihan Zhang , Ercan E. Kuruoglu

Graph neural networks (GNNs) are gaining popularity for processing graph-structured data. In real-world scenarios, graph data within the same dataset can vary significantly in scale. This variability leads to depth-sensitivity, where the…

Machine Learning · Computer Science 2024-11-06 Zelin Yao , Chuang Liu , Xianke Meng , Yibing Zhan , Jia Wu , Shirui Pan , Wenbin Hu

Multivariate time series (MTS) anomaly detection is a critical task that involves identifying abnormal patterns or events in data that consist of multiple interrelated time series. In order to better model the complex interdependence…

Machine Learning · Computer Science 2024-12-31 Xiaoyu Huang , Weidong Chen , Bo Hu , Zhendong Mao

Traditional Graph Self-Supervised Learning (GSSL) struggles to capture complex structural properties well. This limitation stems from two main factors: (1) the inadequacy of conventional Graph Neural Networks (GNNs) in representing…

Machine Learning · Computer Science 2025-02-25 Asiri Wijesinghe , Hao Zhu , Piotr Koniusz

Graph neural networks (GNNs) have achieved tremendous success in graph mining. However, the inability of GNNs to model substructures in graphs remains a significant drawback. Specifically, message-passing GNNs (MPGNNs), as the prevailing…

Machine Learning · Computer Science 2021-04-08 Qingqing Long , Yilun Jin , Yi Wu , Guojie Song

Message passing neural networks (MPNNs) have become a dominant flavor of graph neural networks (GNNs) in recent years. Yet, MPNNs come with notable limitations; namely, they are at most as powerful as the 1-dimensional Weisfeiler-Leman…

Machine Learning · Computer Science 2022-11-04 Lingxiao Zhao , Louis Härtel , Neil Shah , Leman Akoglu

Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressiveness of graph neural networks (GNNs), showing that the neighborhood aggregation GNNs were at most as powerful as 1-WL test in distinguishing graph…

Machine Learning · Computer Science 2020-12-15 Mingqi Yang , Yanming Shen , Heng Qi , Baocai Yin

Message-passing neural networks (MPNNs) are the leading architecture for deep learning on graph-structured data, in large part due to their simplicity and scalability. Unfortunately, it was shown that these architectures are limited in…

Neurons in large language models often exhibit \emph{polysemanticity}, simultaneously encoding multiple unrelated concepts and obscuring interpretability. Instead of relying on post-hoc methods, we present \textbf{MoE-X}, a…

Mixture-of-Experts (MoE) models scale large language models efficiently by sparsely activating experts, but once an expert is selected, it is executed fully. Hence, the trade-off between accuracy and computation in an MoE model typically…

Machine Learning · Computer Science 2026-02-09 Nurbek Tastan , Stefanos Laskaridis , Karthik Nandakumar , Samuel Horvath

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

Machine Learning · Computer Science 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

Mixture of Experts (MoE), an ensemble of specialized models equipped with a router that dynamically distributes each input to appropriate experts, has achieved successful results in the field of machine learning. However, theoretical…

Machine Learning · Computer Science 2025-08-19 Ryotaro Kawata , Kohsei Matsutani , Yuri Kinoshita , Naoki Nishikawa , Taiji Suzuki

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Machine Learning · Computer Science 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

Graph Neural Networks (GNNs) have become essential tools for learning on relational data, yet the performance of a single GNN is often limited by the heterogeneity present in real-world graphs. Recent advances in Mixture-of-Experts (MoE)…

Machine Learning · Computer Science 2025-10-22 Gangda Deng , Yuxin Yang , Ömer Faruk Akgül , Hanqing Zeng , Yinglong Xia , Rajgopal Kannan , Viktor Prasanna

The Mixture-of-Experts (MoE) model uses a set of expert networks that specialize on subsets of a dataset under the supervision of a gating network. A common issue in MoE architectures is ``expert collapse'' where overlapping class…

Neural and Evolutionary Computing · Computer Science 2026-03-31 Abien Fred Agarap , Arnulfo P. Azcarraga
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