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We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of…

机器学习 · 计算机科学 2023-01-18 Ladislav Rampášek , Mikhail Galkin , Vijay Prakash Dwivedi , Anh Tuan Luu , Guy Wolf , Dominique Beaini

Benefiting from the message passing mechanism, Graph Neural Networks (GNNs) have been successful on flourish tasks over graph data. However, recent studies have shown that attackers can catastrophically degrade the performance of GNNs by…

机器学习 · 计算机科学 2023-04-24 Kuan Li , Yang Liu , Xiang Ao , Jianfeng Chi , Jinghua Feng , Hao Yang , Qing He

Accurate predictions rely on the expressiveness power of graph deep learning frameworks like graph neural networks and graph transformers, where a positional encoding mechanism has become much more indispensable in recent state-of-the-art…

机器学习 · 计算机科学 2025-06-12 Katherine Tieu , Dongqi Fu , Zihao Li , Ross Maciejewski , Jingrui He

Autoencoders are effective deep learning models that can function as generative models and learn latent representations for downstream tasks. The use of graph autoencoders - with both encoder and decoder implemented as message passing…

机器学习 · 计算机科学 2025-03-04 Magnus Cunow , Gerrit Großmann

Graph and hypergraph representation learning has attracted increasing attention from various research fields. Despite the decent performance and fruitful applications of Graph Neural Networks (GNNs), Hypergraph Neural Networks (HGNNs), and…

机器学习 · 计算机科学 2023-11-15 Minhao Zou , Zhongxue Gan , Yutong Wang , Junheng Zhang , Dongyan Sui , Chun Guan , Siyang Leng

Graph Neural Networks (GNNs) have paved the way for being a cornerstone in graph-related learning tasks. Yet, the ability of GNNs to capture structural interactions within graphs remains under-explored. In this work, we address this gap by…

机器学习 · 计算机科学 2025-03-04 Asela Hevapathige , Qing Wang

Modeling molecular potential energy surface is of pivotal importance in science. Graph Neural Networks have shown great success in this field. However, their message passing schemes need special designs to capture geometric information and…

机器学习 · 计算机科学 2023-04-24 Xiyuan Wang , Muhan Zhang

Graph neural networks (GNNs) are widely used for learning node embeddings in graphs, typically adopting a message-passing scheme. This approach, however, leads to the neighbor explosion problem, with exponentially growing computational and…

机器学习 · 计算机科学 2025-07-08 Zichao Yue , Chenhui Deng , Zhiru Zhang

Graph Neural Networks (GNNs) exploit signals from node features and the input graph topology to improve node classification task performance. However, these models tend to perform poorly on heterophilic graphs, where connected nodes have…

机器学习 · 计算机科学 2021-12-08 Vijay Lingam , Chanakya Ekbote , Manan Sharma , Rahul Ragesh , Arun Iyer , Sundararajan Sellamanickam

Graph Representation Learning (GRL) has become essential for modern graph data mining and learning tasks. GRL aims to capture the graph's structural information and exploit it in combination with node and edge attributes to compute…

机器学习 · 计算机科学 2021-09-08 Marinos Poiitis , Pavlos Sermpezis , Athena Vakali

In this article, we utilize the concept of average controllability in graphs, along with a novel rank encoding method, to enhance the performance of Graph Neural Networks (GNNs) in social network classification tasks. GNNs have proven…

机器学习 · 计算机科学 2025-07-23 Anwar Said , Yifan Wei , Obaid Ullah Ahmad , Mudassir Shabbir , Waseem Abbas , Xenofon Koutsoukos

Graph Neural Networks (GNNs) have emerged as powerful tools for learning representations from structured data. Despite their growing popularity and success across various applications, GNNs encounter several challenges that limit their…

机器学习 · 计算机科学 2026-02-03 Yassine Abbahaddou

Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowledge graphs. In this paper, we present an exhaustive review…

机器学习 · 计算机科学 2024-11-13 Chenqing Hua

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over structured data, including text-attributed graphs (TAGs), which are common in domains such as citation networks, social platforms, and knowledge graphs. GNNs are…

机器学习 · 计算机科学 2026-04-23 Peyman Baghershahi , Gregoire Fournier , Pranav Nyati , Sourav Medya

Over the last few years, graph autoencoders (AE) and variational autoencoders (VAE) emerged as powerful node embedding methods, with promising performances on challenging tasks such as link prediction and node clustering. Graph AE, VAE and…

机器学习 · 计算机科学 2020-06-18 Guillaume Salha , Romain Hennequin , Michalis Vazirgiannis

Spiking neural networks (SNNs) are bio-inspired networks that mimic how neurons in the brain communicate through discrete spikes, which have great potential in various tasks due to their energy efficiency and temporal processing…

神经与进化计算 · 计算机科学 2025-10-14 Changze Lv , Yansen Wang , Dongqi Han , Yifei Shen , Xiaoqing Zheng , Xuanjing Huang , Dongsheng Li

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

机器学习 · 计算机科学 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Aside from graph neural networks (GNNs) attracting significant attention as a powerful framework revolutionizing graph representation learning, there has been an increasing demand for explaining GNN models. Although various explanation…

机器学习 · 计算机科学 2024-03-21 Yong-Min Shin , Sun-Woo Kim , Won-Yong Shin

We introduce Perception Encoder (PE), a state-of-the-art vision encoder for image and video understanding trained via simple vision-language learning. Traditionally, vision encoders have relied on a variety of pretraining objectives, each…

Graph neural networks (GNNs) have become a core paradigm for learning on relational data. In materials science, equivariant GNNs (EGNNs) have emerged as a compelling backbone for crystalline-structure prediction, owing to their ability to…

机器学习 · 计算机科学 2025-10-08 Yang Cao , Zhao Song , Jiahao Zhang , Jiale Zhao