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Graph representation learning has now become the de facto standard when handling graph-structured data, with the framework of message-passing graph neural networks (MPNN) being the most prevailing algorithmic tool. Despite its popularity,…

Machine Learning · Computer Science 2023-10-18 Jiawang Dan , Ruofan Wu , Yunpeng Liu , Baokun Wang , Changhua Meng , Tengfei Liu , Tianyi Zhang , Ningtao Wang , Xing Fu , Qi Li , Weiqiang Wang

While Graph Neural Networks (GNNs) have achieved remarkable success, their design largely relies on empirical intuition rather than theoretical understanding. In this paper, we present a comprehensive analysis of GNN behavior through three…

Machine Learning · Computer Science 2025-02-04 Qin Jiang , Chengjia Wang , Michael Lones , Wei Pang

The expressivity of Graph Neural Networks (GNNs) has been studied broadly in recent years to reveal the design principles for more powerful GNNs. Graph canonization is known as a typical approach to distinguish non-isomorphic graphs, yet…

Machine Learning · Computer Science 2024-02-12 Zehao Dong , Muhan Zhang , Philip R. O. Payne , Michael A Province , Carlos Cruchaga , Tianyu Zhao , Fuhai Li , Yixin Chen

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

Rule-based fine-grained IP geolocation methods are hard to generalize in computer networks which do not follow hypothetical rules. Recently, deep learning methods, like multi-layer perceptron (MLP), are tried to increase generalization…

Machine Learning · Computer Science 2023-04-18 Shichang Ding , Xiangyang Luo , Jinwei Wang , Xiaoming Fu

Our interest is in scientific problems with the following characteristics: (1) Data are naturally represented as graphs; (2) The amount of data available is typically small; and (3) There is significant domain-knowledge, usually expressed…

Machine Learning · Computer Science 2021-08-17 Tirtharaj Dash , Ashwin Srinivasan , Lovekesh Vig

We propose a novel technique to enhance Knowledge Graph Reasoning by combining Graph Convolution Neural Network (GCN) with the Attention Mechanism. This approach utilizes the Attention Mechanism to examine the relationships between entities…

Information Retrieval · Computer Science 2025-03-24 Meera Gupta , Ravi Khanna , Divya Choudhary , Nandini Rao

Expressivity and generalization are two critical aspects of graph neural networks (GNNs). While significant progress has been made in studying the expressivity of GNNs, much less is known about their generalization capabilities,…

Machine Learning · Computer Science 2024-10-15 Shouheng Li , Floris Geerts , Dongwoo Kim , Qing Wang

Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressive power of graph neural networks (GNN). It was shown that the popular message passing GNN cannot distinguish between graphs that are…

Machine Learning · Computer Science 2020-06-11 Haggai Maron , Heli Ben-Hamu , Hadar Serviansky , Yaron Lipman

Graph neural networks (GNNs) update the hidden representations of vertices (called Vertex-GNNs) or hidden representations of edges (called Edge-GNNs) by processing and pooling the information of neighboring vertices and edges and combining…

Machine Learning · Computer Science 2023-12-27 Yao Peng , Jia Guo , Chenyang Yang

This paper presents the first use of graph neural networks (GNNs) for higher-order proof search and demonstrates that GNNs can improve upon state-of-the-art results in this domain. Interactive, higher-order theorem provers allow for the…

Machine Learning · Computer Science 2019-09-16 Aditya Paliwal , Sarah Loos , Markus Rabe , Kshitij Bansal , Christian Szegedy

Deep learning methods are achieving ever-increasing performance on many artificial intelligence tasks. A major limitation of deep models is that they are not amenable to interpretability. This limitation can be circumvented by developing…

Machine Learning · Computer Science 2022-07-05 Hao Yuan , Haiyang Yu , Shurui Gui , Shuiwang Ji

Deep neural networks (DNNs) achieve state-of-the-art performance on many tasks, but this often requires increasingly larger model sizes, which in turn leads to more complex internal representations. Explainability techniques (XAI) have made…

Machine Learning · Computer Science 2026-01-30 Tom Pelletreau-Duris , Ruud van Bakel , Michael Cochez

This paper studies Dropout Graph Neural Networks (DropGNNs), a new approach that aims to overcome the limitations of standard GNN frameworks. In DropGNNs, we execute multiple runs of a GNN on the input graph, with some of the nodes randomly…

Machine Learning · Computer Science 2021-11-12 Pál András Papp , Karolis Martinkus , Lukas Faber , Roger Wattenhofer

Graph neural networks (GNNs) have demonstrated a significant boost in prediction performance on graph data. At the same time, the predictions made by these models are often hard to interpret. In that regard, many efforts have been made to…

Machine Learning · Computer Science 2023-05-24 Yiqiao Li , Jianlong Zhou , Sunny Verma , Fang Chen

Researchers have proposed various methods of incorporating more structured information into the design of Graph Neural Networks (GNNs) to enhance their expressiveness. However, these methods are either computationally expensive or lacking…

Machine Learning · Computer Science 2025-05-27 Hongxu Pan , Shuxian Hu , Mo Zhou , Zhibin Wang , Rong Gu , Chen Tian , Kun Yang , Sheng Zhong

The application of graph neural networks (GNNs) to the domain of electrical power grids has high potential impact on smart grid monitoring. Even though there is a natural correspondence of power flow to message-passing in GNNs, their…

While graph kernels (GKs) are easy to train and enjoy provable theoretical guarantees, their practical performances are limited by their expressive power, as the kernel function often depends on hand-crafted combinatorial features of…

Machine Learning · Computer Science 2019-11-05 Simon S. Du , Kangcheng Hou , Barnabás Póczos , Ruslan Salakhutdinov , Ruosong Wang , Keyulu Xu

Explainable Graph Neural Network (GNN) has emerged recently to foster the trust of using GNNs. Existing GNN explainers are developed from various perspectives to enhance the explanation performance. We take the first step to study GNN…

Cryptography and Security · Computer Science 2024-06-06 Jiate Li , Meng Pang , Yun Dong , Jinyuan Jia , Binghui Wang

Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…

Machine Learning · Computer Science 2023-09-01 Guanyu Cui , Zhewei Wei