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Most of the recent studies tackling routing problems like the Traveling Salesman Problem (TSP) with machine learning use a transformer or Graph Neural Network (GNN) based encoder architecture. However, many of them apply these encoders…

Machine Learning · Computer Science 2024-03-28 Attila Lischka , Jiaming Wu , Rafael Basso , Morteza Haghir Chehreghani , Balázs Kulcsár

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of…

Machine Learning · Computer Science 2024-01-02 Derek Lim , Haggai Maron , Marc T. Law , Jonathan Lorraine , James Lucas

Transformers have achieved remarkable performance in a myriad of fields including natural language processing and computer vision. However, when it comes to the graph mining area, where graph neural network (GNN) has been the dominant…

Machine Learning · Computer Science 2021-10-26 Jianan Zhao , Chaozhuo Li , Qianlong Wen , Yiqi Wang , Yuming Liu , Hao Sun , Xing Xie , Yanfang Ye

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…

Hardware Architecture · Computer Science 2021-03-22 Robert Guirado , Akshay Jain , Sergi Abadal , Eduard Alarcón

Graph neural networks (GNNs) provide a powerful and scalable solution for modeling continuous spatial data. However, they often rely on Euclidean distances to construct the input graphs. This assumption can be improbable in many real-world…

Machine Learning · Computer Science 2023-02-20 Konstantin Klemmer , Nathan Safir , Daniel B. Neill

Graphs can model complicated interactions between entities, which naturally emerge in many important applications. These applications can often be cast into standard graph learning tasks, in which a crucial step is to learn low-dimensional…

Machine Learning · Computer Science 2023-07-04 Xuexin Chen , Ruichu Cai , Yuan Fang , Min Wu , Zijian Li , Zhifeng Hao

Graph Neural Networks (GNNs) have enjoyed wide spread applications in graph-structured data. However, existing graph based applications commonly lack annotated data. GNNs are required to learn latent patterns from a limited amount of…

Machine Learning · Computer Science 2023-03-22 Wenqi Wei , Mu Qiao , Divyesh Jadav

Graph Transformers typically rely on explicit positional or structural encodings and dense global attention to incorporate graph topology. In this work, we show that neither is essential. We introduce HopFormer, a graph Transformer that…

Machine Learning · Computer Science 2026-02-03 Sanggeon Yun , Raheeb Hassan , Ryozo Masukawa , Sungheon Jeong , Mohsen Imani

Graph Transformers (GTs) have emerged as a powerful paradigm for graph representation learning due to their ability to model diverse node interactions. However, existing GTs often rely on intricate architectural designs tailored to specific…

Computer Vision and Pattern Recognition · Computer Science 2025-10-22 Yujie Xing , Xiao Wang , Bin Wu , Hai Huang , Chuan Shi

Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid…

Machine Learning · Computer Science 2026-04-09 Yi Yang , Ovidiu Daescu

As one of the most fundamental tasks in graph theory, subgraph matching is a crucial task in many fields, ranging from information retrieval, computer vision, biology, chemistry and natural language processing. Yet subgraph matching problem…

Machine Learning · Computer Science 2022-09-19 Zixun Lan , Limin Yu , Linglong Yuan , Zili Wu , Qiang Niu , Fei Ma

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

Machine Learning · Computer Science 2022-05-23 Davide Buffelli , Fabio Vandin

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

Many real-world phenomena can be modeled as a graph, making them extremely valuable due to their ubiquitous presence. GNNs excel at capturing those relationships and patterns within these graphs, enabling effective learning and prediction…

Machine Learning · Computer Science 2023-11-28 Abhinav Raghuvanshi , Kushal Sokke Malleshappa

Message-passing Graph Neural Networks (GNNs) are often criticized for their limited expressiveness, issues like over-smoothing and over-squashing, and challenges in capturing long-range dependencies. Conversely, Graph Transformers (GTs) are…

Machine Learning · Computer Science 2025-11-04 Yuankai Luo , Lei Shi , Xiao-Ming Wu

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…

Computation and Language · Computer Science 2025-07-11 Fardin Rastakhiz

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Real data collected from different applications that have additional topological structures and connection information are amenable to be represented as a weighted graph. Considering the node labeling problem, Graph Neural Networks (GNNs)…

Social and Information Networks · Computer Science 2020-02-06 Xiaoxiao Li , Joao Saude

Graph Neural Networks are notorious for its memory consumption. A recent Transformer-based GNN called Graph Transformer is shown to obtain superior performances when long range dependencies exist. However, combining graph data and…

Machine Learning · Computer Science 2024-03-25 Eugene Ku

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag