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Designing neural network architectures that can handle data symmetry is crucial. This is especially important for geometric graphs whose properties are equivariance under Euclidean transformations. Current equivariant graph neural networks…

机器学习 · 计算机科学 2025-03-14 Viet-Hoang Tran , Thieu N. Vo , Tho Tran Huu , Tan Minh Nguyen

Existing Graph Neural Networks (GNNs) compute the message exchange between nodes by either aggregating uniformly (convolving) the features of all the neighboring nodes, or by applying a non-uniform score (attending) to the features. Recent…

机器学习 · 计算机科学 2023-03-02 Adrián Javaloy , Pablo Sanchez-Martin , Amit Levi , Isabel Valera

We propose a Graph Neural Network with greater expressive power than commonly used GNNs - not constrained to only differentiate between graphs that Weisfeiler-Lehman test recognizes to be non-isomorphic. We use a graph attention network…

机器学习 · 计算机科学 2020-04-14 Stanisław Purgał

Graph Neural Networks (GNNs) resurge as a trending research subject owing to their impressive ability to capture representations from graph-structured data. However, the black-box nature of GNNs presents a significant challenge in terms of…

机器学习 · 计算机科学 2023-10-26 Tianchun Wang , Dongsheng Luo , Wei Cheng , Haifeng Chen , Xiang Zhang

Graph neural networks (GNNs) are effective machine learning models for various graph learning problems. Despite their empirical successes, the theoretical limitations of GNNs have been revealed recently. Consequently, many GNN models have…

机器学习 · 计算机科学 2020-10-19 Ryoma Sato

Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

机器学习 · 计算机科学 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the success is limited to small-scale graphs due to the drawbacks of…

机器学习 · 计算机科学 2022-10-05 Jinyoung Park , Seongjun Yun , Hyeonjin Park , Jaewoo Kang , Jisu Jeong , Kyung-Min Kim , Jung-woo Ha , Hyunwoo J. Kim

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

Polynomial graph filters have been widely used as guiding principles in the design of Graph Neural Networks (GNNs). Recently, the adaptive learning of the polynomial graph filters has demonstrated promising performance for modeling graph…

机器学习 · 计算机科学 2023-07-18 Wendi Yu , Zhichao Hou , Xiaorui Liu

Relational data present in real world graph representations demands for tools capable to study it accurately. In this regard Graph Neural Network (GNN) is a powerful tool, wherein various models for it have also been developed over the past…

硬件体系结构 · 计算机科学 2021-03-22 Robert Guirado , Akshay Jain , Sergi Abadal , Eduard Alarcón

Graph neural networks (GNNs) are powerful models that have been successful in various graph representation learning tasks. Whereas gradient boosted decision trees (GBDT) often outperform other machine learning methods when faced with…

机器学习 · 计算机科学 2021-04-01 Sergei Ivanov , Liudmila Prokhorenkova

While (message-passing) graph neural networks have clear limitations in approximating permutation-equivariant functions over graphs or general relational data, more expressive, higher-order graph neural networks do not scale to large…

机器学习 · 计算机科学 2022-08-31 Christopher Morris , Gaurav Rattan , Sandra Kiefer , Siamak Ravanbakhsh

Recently, Graph Neural Networks (GNNs) have become state-of-the-art algorithms for analyzing non-euclidean graph data. However, to realize efficient GNN training is challenging, especially on large graphs. The reasons are many-folded: 1)…

机器学习 · 计算机科学 2022-08-17 Zhe Zhou , Cong Li , Xuechao Wei , Xiaoyang Wang , Guangyu Sun

Graph Transformers (GTs) have shown advantages in numerous graph structure tasks but their self-attention mechanism ignores the generalization bias of graphs, with existing methods mainly compensating for this bias from aspects like…

机器学习 · 计算机科学 2025-04-29 Yonghui Zhai , Yang Zhang , Minghao Shang , Lihua Pang , Yaxin Ren

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,…

机器学习 · 计算机科学 2025-11-18 Jeongwhan Choi , Seungjun Park , Sumin Park , Sung-Bae Cho , Noseong Park

Designing spectral convolutional networks is a formidable task in graph learning. In traditional spectral graph neural networks (GNNs), polynomial-based methods are commonly used to design filters via the Laplacian matrix. In practical…

机器学习 · 计算机科学 2024-08-19 Gongpei Zhao , Tao Wang , Yi Jin , Congyan Lang , Yidong Li , Haibin Ling

With the rapid deployment of graph neural networks (GNNs) based techniques into a wide range of applications such as link prediction, node classification, and graph classification the explainability of GNNs has become an indispensable…

机器学习 · 计算机科学 2023-01-03 Yiqiao Li , Jianlong Zhou , Boyuan Zheng , Fang Chen

We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections…

机器学习 · 计算机科学 2021-01-26 Vijay Prakash Dwivedi , Xavier Bresson

Despite recent progress in Graph Neural Networks (GNNs), explaining predictions made by GNNs remains a challenging open problem. The leading method independently addresses the local explanations (i.e., important subgraph structure and node…

机器学习 · 计算机科学 2020-11-16 Dongsheng Luo , Wei Cheng , Dongkuan Xu , Wenchao Yu , Bo Zong , Haifeng Chen , Xiang Zhang

Graph classification is an important learning task for graph-structured data. Graph neural networks (GNNs) have recently gained growing attention in graph learning and have shown significant improvements in many important graph problems.…

机器学习 · 计算机科学 2024-01-31 Tao Wen , Elynn Chen , Yuzhou Chen