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Graph Neural Networks (GNNs) have emerged as a powerful tool for semi-supervised node classification tasks. However, recent studies have revealed various biases in GNNs stemming from both node features and graph topology. In this work, we…

机器学习 · 计算机科学 2023-05-26 Haoyu Han , Xiaorui Liu , Feng Shi , MohamadAli Torkamani , Charu C. Aggarwal , Jiliang Tang

Pretraining plays a pivotal role in acquiring generalized knowledge from large-scale data, achieving remarkable successes as evidenced by large models in CV and NLP. However, progress in the graph domain remains limited due to fundamental…

人工智能 · 计算机科学 2024-06-21 Yu Song , Haitao Mao , Jiachen Xiao , Jingzhe Liu , Zhikai Chen , Wei Jin , Carl Yang , Jiliang Tang , Hui Liu

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

Graph neural networks (GNNs) have been widely used in various graph-related problems such as node classification and graph classification, where superior performance is mainly established when natural node features are available. However,…

机器学习 · 计算机科学 2022-09-12 Hejie Cui , Zijie Lu , Pan Li , Carl Yang

In recent years, tasks of machine learning ranging from image processing & audio/video analysis to natural language understanding have been transformed by deep learning. The data content in all these scenarios are expressed via Euclidean…

机器学习 · 计算机科学 2023-11-07 Adil Mudasir Malla , Asif Ali Banka

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…

机器人学 · 计算机科学 2020-12-15 Arbaaz Khan , Alejandro Ribeiro , Vijay Kumar , Anthony G. Francis

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to…

机器学习 · 计算机科学 2022-06-24 Haorui Wang , Haoteng Yin , Muhan Zhang , Pan Li

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

机器学习 · 计算机科学 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented…

机器学习 · 计算机科学 2020-03-27 Zonghan Wu , Shirui Pan , Fengwen Chen , Guodong Long , Chengqi Zhang , Philip S. Yu

We aim to deepen the theoretical understanding of Graph Neural Networks (GNNs) on large graphs, with a focus on their expressive power. Existing analyses relate this notion to the graph isomorphism problem, which is mostly relevant for…

机器学习 · 计算机科学 2023-05-25 Nicolas Keriven , Samuel Vaiter

Graph Drawing techniques have been developed in the last few years with the purpose of producing aesthetically pleasing node-link layouts. Recently, the employment of differentiable loss functions has paved the road to the massive usage of…

机器学习 · 计算机科学 2022-07-04 Matteo Tiezzi , Gabriele Ciravegna , Marco Gori

Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the…

Graph Neural Networks (GNNs) have been proposed as a tool for learning sparse matrix preconditioners, which are key components in accelerating linear solvers. We present theoretical and empirical evidence that message-passing GNNs are…

机器学习 · 计算机科学 2026-05-26 Vladislav Trifonov , Ekaterina Muravleva , Ivan Oseledets

Graph neural networks (GNNs) have become a workhorse approach for learning from data defined over irregular domains, typically by implicitly assuming that the data structure is represented by a homophilic graph. However, recent works have…

机器学习 · 计算机科学 2024-09-16 Samuel Rey , Madeline Navarro , Victor M. Tenorio , Santiago Segarra , Antonio G. Marques

While tokenized graph Transformers have demonstrated strong performance in node classification tasks, their reliance on a limited subset of nodes with high similarity scores for constructing token sequences overlooks valuable information…

机器学习 · 计算机科学 2025-02-18 Jinsong Chen , Hanpeng Liu , John E. Hopcroft , Kun He

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

机器学习 · 计算机科学 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

Time, cost, and energy efficiency are critical considerations in Deep-Learning (DL), particularly when processing long texts. Transformers, which represent the current state of the art, exhibit quadratic computational complexity relative to…

计算与语言 · 计算机科学 2025-07-11 Fardin Rastakhiz

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…

机器学习 · 计算机科学 2023-12-14 Rickard Brüel-Gabrielsson , Mikhail Yurochkin , Justin Solomon

Graph neural networks (GNNs), which are capable of learning representations from graphical data, are naturally suitable for modeling molecular systems. This review introduces GNNs and their various applications for small organic molecules.…

机器学习 · 计算机科学 2023-10-10 Yuyang Wang , Zijie Li , Amir Barati Farimani

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…

机器学习 · 计算机科学 2022-10-12 Andrew Dudzik , Petar Veličković