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Graph Neural Networks (GNNs) are deep learning methods which provide the current state of the art performance in node classification tasks. GNNs often assume homophily -- neighboring nodes having similar features and labels--, and therefore…

机器学习 · 计算机科学 2021-10-26 Liheng Ma , Reihaneh Rabbany , Adriana Romero-Soriano

Graph neural networks (GNNs) leverage message passing mechanisms to learn the topological features of graph data. Traditional GNNs learns node features in a spatial domain unrelated to the topology, which can hardly ensure topological…

机器学习 · 计算机科学 2025-05-30 Juwei Yue , Haikuo Li , Jiawei Sheng , Xiaodong Li , Taoyu Su , Tingwen Liu , Li Guo

Although graph-based learning has attracted a lot of attention, graph representation learning is still a challenging task whose resolution may impact key application fields such as chemistry or biology. To this end, we introduce GRALE, a…

机器学习 · 计算机科学 2025-10-21 Paul Krzakala , Gabriel Melo , Charlotte Laclau , Florence d'Alché-Buc , Rémi Flamary

Text-rich graphs, which exhibit rich textual information on nodes and edges, are prevalent across a wide range of real-world business applications. Large Language Models (LLMs) have demonstrated remarkable abilities in understanding text,…

计算与语言 · 计算机科学 2024-04-30 Qi Zhu , Da Zheng , Xiang Song , Shichang Zhang , Bowen Jin , Yizhou Sun , George Karypis

Cycles are fundamental elements in graph-structured data and have demonstrated their effectiveness in enhancing graph learning models. To encode such information into a graph learning framework, prior works often extract a summary quantity,…

机器学习 · 计算机科学 2023-12-01 Zuoyu Yan , Tengfei Ma , Liangcai Gao , Zhi Tang , Chao Chen , Yusu Wang

Graph neural networks (GNNs) learn to represent nodes by aggregating information from their neighbors. As GNNs increase in depth, their receptive field grows exponentially, leading to high memory costs. Several existing methods address this…

机器学习 · 计算机科学 2025-07-16 Taraneh Younesian , Daniel Daza , Emile van Krieken , Thiviyan Thanapalasingam , Peter Bloem

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…

机器学习 · 计算机科学 2024-05-03 Nurudin Alvarez-Gonzalez , Andreas Kaltenbrunner , Vicenç Gómez

Various classes of Graph Neural Networks (GNN) have been proposed and shown to be successful in a wide range of applications with graph structured data. In this paper, we propose a theoretical framework able to compare the expressive power…

机器学习 · 计算机科学 2021-06-08 Waïss Azizian , Marc Lelarge

Transformers rely on both content-based and position-based addressing mechanisms to make predictions, but existing positional encoding techniques often diminish the effectiveness of position-based addressing. Many current methods enforce…

计算与语言 · 计算机科学 2025-08-22 Jiajun Zhu , Peihao Wang , Ruisi Cai , Jason D. Lee , Pan Li , Zhangyang Wang

Managing evolving graph data presents substantial challenges in storage and privacy, and training graph neural networks (GNNs) on such data often leads to catastrophic forgetting, impairing performance on earlier tasks. Despite existing…

机器学习 · 计算机科学 2025-05-29 Yinlin Zhu , Miao Hu , Di Wu

Attributed graph embedding, which learns vector representations from graph topology and node features, is a challenging task for graph analysis. Recently, methods based on graph convolutional networks (GCNs) have made great progress on this…

机器学习 · 计算机科学 2020-07-06 Ganqu Cui , Jie Zhou , Cheng Yang , Zhiyuan Liu

Including covariant information, such as position, force, velocity or spin is important in many tasks in computational physics and chemistry. We introduce Steerable E(3) Equivariant Graph Neural Networks (SEGNNs) that generalise equivariant…

机器学习 · 计算机科学 2022-03-29 Johannes Brandstetter , Rob Hesselink , Elise van der Pol , Erik J Bekkers , Max Welling

We conducted empirical experiments to assess the transferability of a light curve transformer to datasets with different cadences and magnitude distributions using various positional encodings (PEs). We proposed a new approach to…

Recent advances in Graph Convolutional Neural Networks (GCNNs) have shown their efficiency for non-Euclidean data on graphs, which often require a large amount of labeled data with high cost. It it thus critical to learn graph feature…

计算机视觉与模式识别 · 计算机科学 2020-03-20 Xiang Gao , Wei Hu , Guo-Jun Qi

Graph is a fundamental data structure to model interconnections between entities. Set, on the contrary, stores independent elements. To learn graph representations, current Graph Neural Networks (GNNs) primarily use message passing to…

机器学习 · 计算机科学 2024-06-03 Xiyuan Wang , Pan Li , Muhan Zhang

We propose Embedding Propagation (EP), an unsupervised learning framework for graph-structured data. EP learns vector representations of graphs by passing two types of messages between neighboring nodes. Forward messages consist of label…

机器学习 · 计算机科学 2017-10-10 Alberto Garcia-Duran , Mathias Niepert

Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These…

机器学习 · 计算机科学 2025-12-17 Sophia Tang

Many problems in computer vision and machine learning can be cast as learning on hypergraphs that represent higher-order relations. Recent approaches for hypergraph learning extend graph neural networks based on message passing, which is…

机器学习 · 计算机科学 2022-08-23 Jinwoo Kim , Saeyoon Oh , Sungjun Cho , Seunghoon Hong

Spectral features are widely incorporated within Graph Neural Networks (GNNs) to improve their expressive power, or their ability to distinguish among non-isomorphic graphs. One popular example is the usage of graph Laplacian eigenvectors…

机器学习 · 计算机科学 2025-09-29 Snir Hordan , Maya Bechler-Speicher , Gur Lifshitz , Nadav Dym

In recent years, a wide variety of graph neural network (GNN) architectures have emerged, each with its own strengths, weaknesses, and complexities. Various techniques, including rewiring, lifting, and node annotation with centrality…

机器学习 · 计算机科学 2024-10-14 Zhifei Li , Gerrit Großmann , Verena Wolf