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Graph Neural Networks (GNN) exhibit superior performance in graph representation learning, but their inference cost can be high, due to an aggregation operation that can require a memory fetch for a very large number of nodes. This…

Machine Learning · Computer Science 2025-03-18 Yaochen Hu , Mai Zeng , Ge Zhang , Pavel Rumiantsev , Liheng Ma , Yingxue Zhang , Mark Coates

Graph Neural Networks (GNNs) have shown to be powerful tools for graph analytics. The key idea is to recursively propagate and aggregate information along edges of the given graph. Despite their success, however, the existing GNNs are…

Machine Learning · Computer Science 2020-11-16 Dongsheng Luo , Wei Cheng , Wenchao Yu , Bo Zong , Jingchao Ni , Haifeng Chen , Xiang Zhang

Although graph neural networks (GNNs) have made great progress recently on learning from graph-structured data in practice, their theoretical guarantee on generalizability remains elusive in the literature. In this paper, we provide a…

Machine Learning · Computer Science 2020-06-26 Shuai Zhang , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

As urban environments grow, the modelling of transportation systems becomes increasingly complex. This paper advances the field of travel demand modelling by introducing advanced Graph Neural Network (GNN) architectures as surrogate models,…

Machine Learning · Computer Science 2025-03-21 Nikita Makarov , Santhanakrishnan Narayanan , Constantinos Antoniou

Recently, Vision Graph Neural Network (ViG) has gained considerable attention in computer vision. Despite its groundbreaking innovation, Vision Graph Neural Network encounters key issues including the quadratic computational complexity…

Computer Vision and Pattern Recognition · Computer Science 2025-03-20 Caoshuo Li , Tanzhe Li , Xiaobin Hu , Donghao Luo , Taisong Jin

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this…

Machine Learning · Computer Science 2021-03-09 Gabriele Corso , Luca Cavalleri , Dominique Beaini , Pietro Liò , Petar Veličković

The advent of Graph Neural Networks (GNNs) has revolutionized the field of machine learning, offering a novel paradigm for learning on graph-structured data. Unlike traditional neural networks, GNNs are capable of capturing complex…

Hardware Architecture · Computer Science 2024-06-26 Kaustubh Shivdikar

Recent advancements in graph learning have revolutionized the way to understand and analyze data with complex structures. Notably, Graph Neural Networks (GNNs), i.e. neural network architectures designed for learning graph representations,…

Machine Learning · Computer Science 2024-07-09 Yu Huang , Min Zhou , Menglin Yang , Zhen Wang , Muhan Zhang , Jie Wang , Hong Xie , Hao Wang , Defu Lian , Enhong Chen

Graph convolutional networks (GCNs) are a powerful deep learning approach for graph-structured data. Recently, GCNs and subsequent variants have shown superior performance in various application areas on real-world datasets. Despite their…

Machine Learning · Computer Science 2020-07-07 Ming Chen , Zhewei Wei , Zengfeng Huang , Bolin Ding , Yaliang Li

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

Machine Learning · Computer Science 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

Graph Neural Networks (GNNs) tend to suffer from high computation costs due to the exponentially increasing scale of graph data and the number of model parameters, which restricts their utility in practical applications. To this end, some…

Machine Learning · Computer Science 2022-07-20 Chuang Liu , Xueqi Ma , Yibing Zhan , Liang Ding , Dapeng Tao , Bo Du , Wenbin Hu , Danilo Mandic

Relational databases, organized into tables connected by primary-foreign key relationships, are a common format for organizing data. Making predictions on relational data often involves transforming them into a flat tabular format through…

Databases · Computer Science 2025-04-08 Veronica Lachi , Antonio Longa , Beatrice Bevilacqua , Bruno Lepri , Andrea Passerini , Bruno Ribeiro

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

Ground-state 3D geometries of molecules are essential for many molecular analysis tasks. Modern quantum mechanical methods can compute accurate 3D geometries but are computationally prohibitive. Currently, an efficient alternative to…

Chemical Physics · Physics 2023-05-24 Zhao Xu , Yaochen Xie , Youzhi Luo , Xuan Zhang , Xinyi Xu , Meng Liu , Kaleb Dickerson , Cheng Deng , Maho Nakata , Shuiwang Ji

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

In the field of natural language understanding, the intersection of neural models and graph meaning representations (GMRs) remains a compelling area of research. Despite the growing interest, a critical gap persists in understanding the…

Computation and Language · Computer Science 2023-12-29 Li Zhou , Wenyu Chen , Dingyi Zeng , Malu Zhang , Daniel Hershcovich

This paper investigates the feasibility of using Graph Neural Networks (GNNs) for classical motion planning problems. We propose guiding both continuous and discrete planning algorithms using GNNs' ability to robustly encode the topology of…

Robotics · Computer Science 2020-12-15 Arbaaz Khan , Alejandro Ribeiro , Vijay Kumar , Anthony G. Francis

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample…

Machine Learning · Computer Science 2022-10-12 Andrew Dudzik , Petar Veličković

Graph partitioning (GP) is a classic problem that divides the node set of a graph into densely-connected blocks. Following the IEEE HPEC Graph Challenge and recent advances in pre-training techniques (e.g., large-language models), we…

Machine Learning · Computer Science 2024-09-04 Meng Qin , Chaorui Zhang , Yu Gao , Yibin Ding , Weipeng Jiang , Weixi Zhang , Wei Han , Bo Bai

Graph retrieval based on subgraph isomorphism has several real-world applications such as scene graph retrieval, molecular fingerprint detection and circuit design. Roy et al. [35] proposed IsoNet, a late interaction model for subgraph…

Machine Learning · Computer Science 2025-10-28 Ashwin Ramachandran , Vaibhav Raj , Indrayumna Roy , Soumen Chakrabarti , Abir De