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Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

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

Information extraction (IE) is an important task in Natural Language Processing (NLP), involving the extraction of named entities and their relationships from unstructured text. In this paper, we propose a novel approach to this task by…

Computation and Language · Computer Science 2024-04-22 Urchade Zaratiana , Nadi Tomeh , Niama El Khbir , Pierre Holat , Thierry Charnois

Rule learning is critical to improving knowledge graph (KG) reasoning due to their ability to provide logical and interpretable explanations. Recently, Graph Neural Networks (GNNs) with tail entity scoring achieve the state-of-the-art…

Machine Learning · Computer Science 2024-04-11 Haiquan Qiu , Yongqi Zhang , Yong Li , Quanming Yao

Data-efficient learning on graphs (GEL) is essential in real-world applications. Existing GEL methods focus on learning useful representations for nodes, edges, or entire graphs with ``small'' labeled data. But the problem of data-efficient…

Machine Learning · Computer Science 2023-02-24 Chang Liu , Yuwen Yang , Zhe Xie , Hongtao Lu , Yue Ding

Recently, Graph Neural Networks (GNNs) have gained popularity in a variety of real-world scenarios. Despite the great success, the architecture design of GNNs heavily relies on manual labor. Thus, automated graph neural network (AutoGNN)…

Machine Learning · Computer Science 2021-12-03 Zhili Wang , Shimin Di , Lei Chen

Node classification in graphs aims to predict the categories of unlabeled nodes by utilizing a small set of labeled nodes. However, weighted graphs often contain noisy edges and anomalous edge weights, which can distort fine-grained…

Machine Learning · Computer Science 2025-04-01 Tingting Wang , Jiaxin Su , Haobing Liu , Ruobing Jiang

Encoder-decoder architectures are prominent building blocks of state-of-the-art solutions for tasks across multiple fields where deep learning (DL) or foundation models play a key role. Although there is a growing community working on the…

Machine Learning · Computer Science 2022-10-14 Breno W. Carvalho , Artur D'Avilla Garcez , Luis C. Lamb

To enable heterogeneous computing systems with autonomous programming and optimization capabilities, we propose a unified, end-to-end, programmable graph representation learning (PGL) framework that is capable of mining the complexity of…

Machine Learning · Computer Science 2022-04-27 Yao Xiao , Guixiang Ma , Nesreen K. Ahmed , Mihai Capota , Theodore Willke , Shahin Nazarian , Paul Bogdan

Positional encodings (PEs) are essential for effective graph representation learning because they provide position awareness in inherently position-agnostic transformer architectures and increase the expressive capacity of Graph Neural…

Machine Learning · Computer Science 2025-02-04 Charilaos I. Kanatsoulis , Evelyn Choi , Stephanie Jegelka , Jure Leskovec , Alejandro Ribeiro

Subgraph representation learning has been effective in solving various real-world problems. However, current graph neural networks (GNNs) produce suboptimal results for subgraph-level tasks due to their inability to capture complex…

Machine Learning · Computer Science 2025-11-12 Dongkwan Kim , Alice Oh

Most of the neural networks (NNs) learned via state-of-the-art machine learning techniques are black-box models. For a widespread success of machine learning in science and engineering, it is important to develop new NN architectures to…

Machine Learning · Computer Science 2021-05-17 Gang Chen

Graph Neural Networks (GNNs) address two key challenges in applying deep learning to graph-structured data: they handle varying size input graphs and ensure invariance under graph isomorphism. While GNNs have demonstrated broad…

Artificial Intelligence · Computer Science 2026-02-20 Bernardo Cuenca Grau , Eva Feng , Przemysław Andrzej Wałęga

Combinatorial complexes have unified set-based (e.g., graphs, hypergraphs) and part-whole (e.g., simplicial, cellular complexes) structures into a common topological framework. Existing topological neural networks and Weisfeiler-Lehman…

Machine Learning · Computer Science 2026-05-04 Jiawen Chen , Qi Shao , Duxin Chen , Wenwu Yu

Seminal research in the field of graph neural networks (GNNs) has revealed a direct correspondence between the expressive capabilities of GNNs and the $k$-dimensional Weisfeiler-Leman ($k$WL) test, a widely-recognized method for verifying…

Machine Learning · Computer Science 2024-03-29 Matthias Lanzinger , Pablo Barceló

Graph neural network architectures aligned with the $k$-dimensional Weisfeiler--Leman ($k$-WL) hierarchy offer theoretically well-understood expressive power. However, these architectures often fail to deliver state-of-the-art predictive…

Machine Learning · Computer Science 2024-06-06 Luis Müller , Christopher Morris

Graph neural networks have been widely used on modeling graph data, achieving impressive results on node classification and link prediction tasks. Yet, obtaining an accurate representation for a graph further requires a pooling function…

Machine Learning · Computer Science 2021-06-29 Jinheon Baek , Minki Kang , Sung Ju Hwang

Several recent works use positional encodings to extend the receptive fields of graph neural network (GNN) layers equipped with attention mechanisms. These techniques, however, extend receptive fields to the complete graph, at substantial…

Machine Learning · Computer Science 2023-12-14 Rickard Brüel-Gabrielsson , Mikhail Yurochkin , Justin Solomon

The study of Graph Neural Networks has received considerable interest in the past few years. By extending deep learning to graph-structured data, GNNs can solve a diverse set of tasks in fields including social science, chemistry, and…

Machine Learning · Computer Science 2024-03-12 Ashwin Nalwade , Kelly Marshall , Axel Eladi , Umang Sharma

Graph neural networks (GNNs) have become a prevalent framework for graph tasks. Many recent studies have proposed the use of graph convolution methods over the numerous subgraphs of each graph, a concept known as subgraph graph neural…

Artificial Intelligence · Computer Science 2024-12-25 Qian Tao , Xiyuan Wang , Muhan Zhang , Shuxian Hu , Wenyuan Yu , Jingren Zhou