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Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…

Machine Learning · Computer Science 2023-04-12 Weitao Du , Yuanqi Du , Limei Wang , Dieqiao Feng , Guifeng Wang , Shuiwang Ji , Carla Gomes , Zhi-Ming Ma

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph Neural Networks (GNNs) have recently gained widespread attention as a successful tool for analyzing graph-structured data. However, imperfect graph structure with noisy links lacks enough robustness and may damage graph…

Machine Learning · Computer Science 2025-03-25 Xianlin Zeng , Yufeng Wang , Yuqi Sun , Guodong Guo , Wenrui Ding , Baochang Zhang

Graph neural networks (GNNs) are widely used in graph learning and most architectures propagate information by passing messages between vertices. In this work, we shift our attention to GNNs that perform message passing on edges and…

Machine Learning · Computer Science 2026-02-03 Pablo Barceló , Fabian Jogl , Alexander Kozachinskiy , Matthias Lanzinger , Stefan Neumann , Cristóbal Rojas

Existing representation learning methods in graph convolutional networks are mainly designed by describing the neighborhood of each node as a perceptual whole, while the implicit semantic associations behind highly complex interactions of…

Artificial Intelligence · Computer Science 2021-01-19 Likang Wu , Zhi Li , Hongke Zhao , Qi Liu , Jun Wang , Mengdi Zhang , Enhong Chen

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

Graph Neural Networks (GNNs) have paved the way for being a cornerstone in graph-related learning tasks. Yet, the ability of GNNs to capture structural interactions within graphs remains under-explored. In this work, we address this gap by…

Machine Learning · Computer Science 2025-03-04 Asela Hevapathige , Qing Wang

Developments in Graph-Language Models (GLMs) aim to integrate the structural reasoning capabilities of Graph Neural Networks (GNNs) with the semantic understanding of Large Language Models (LLMs). However, we demonstrate that current…

Computation and Language · Computer Science 2025-08-29 Soham Petkar , Hari Aakash K , Anirudh Vempati , Akshit Sinha , Ponnurangam Kumarauguru , Chirag Agarwal

Extended persistence is a technique from topological data analysis to obtain global multiscale topological information from a graph. This includes information about connected components and cycles that are captured by the so-called…

Machine Learning · Computer Science 2024-06-06 Simon Zhang , Soham Mukherjee , Tamal K. Dey

Rethink convolution-based graph neural networks (GNN) -- they characteristically suffer from limited expressiveness, over-smoothing, and over-squashing, and require specialized sparse kernels for efficient computation. Here, we design a…

Machine Learning · Computer Science 2024-10-01 Yuanqing Wang , Kyunghyun Cho

Graphs are widely used to describe real-world objects and their interactions. Graph Neural Networks (GNNs) as a de facto model for analyzing graphstructured data, are highly sensitive to the quality of the given graph structures. Therefore,…

Machine Learning · Computer Science 2022-02-16 Yanqiao Zhu , Weizhi Xu , Jinghao Zhang , Yuanqi Du , Jieyu Zhang , Qiang Liu , Carl Yang , Shu Wu

Transformers have revolutionized performance in Natural Language Processing and Vision, paving the way for their integration with Graph Neural Networks (GNNs). One key challenge in enhancing graph transformers is strengthening the…

Machine Learning · Computer Science 2026-01-09 Yun Young Choi , Sun Woo Park , Minho Lee , Youngho Woo

We present a novel edge-level ego-network encoding for learning on graphs that can boost Message Passing Graph Neural Networks (MP-GNNs) by providing additional node and edge features or extending message-passing formats. The proposed…

Machine Learning · Computer Science 2024-05-03 Nurudin Alvarez-Gonzalez , Andreas Kaltenbrunner , Vicenç Gómez

The ability to detect and count certain substructures in graphs is important for solving many tasks on graph-structured data, especially in the contexts of computational chemistry and biology as well as social network analysis. Inspired by…

Machine Learning · Computer Science 2020-10-30 Zhengdao Chen , Lei Chen , Soledad Villar , Joan Bruna

Graph structure expression plays a vital role in distinguishing various graphs. In this work, we propose a Structure-Sensitive Graph Dictionary Embedding (SS-GDE) framework to transform input graphs into the embedding space of a graph…

Machine Learning · Computer Science 2023-06-21 Guangbu Liu , Tong Zhang , Xudong Wang , Wenting Zhao , Chuanwei Zhou , Zhen Cui

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

The capacity of unifilar finite-state channels in the presence of feedback is investigated. We derive a new evaluation method to extract graph-based encoders with their achievable rates, and to compute upper bounds to examine their…

Information Theory · Computer Science 2019-07-19 Oron Sabag , Bashar Huleihel , Haim Permuter

Spectral graph neural networks (GNNs) learn graph representations via spectral-domain graph convolutions. However, most existing spectral graph filters are scalar-to-scalar functions, i.e., mapping a single eigenvalue to a single filtered…

Machine Learning · Computer Science 2023-03-03 Deyu Bo , Chuan Shi , Lele Wang , Renjie Liao

Graph Neural Networks (GNNs) have emerged as powerful tools for learning on graph-structured data, but often struggle to balance local and global information. While graph Transformers aim to address this by enabling long-range interactions,…

Machine Learning · Computer Science 2025-11-18 Jeongwhan Choi , Seungjun Park , Sumin Park , Sung-Bae Cho , Noseong Park

Graph Neural Networks (GNNs) are a predominant method for graph representation learning. However, beyond subgraph frequency estimation, their application to network motif significance-profile (SP) prediction remains under-explored, with no…

Machine Learning · Computer Science 2025-07-11 Pedro C. Vieira , Miguel E. P. Silva , Pedro Manuel Pinto Ribeiro
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