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Message-Passing Graph Neural Networks (GNNs) are known to have limited expressive power, due to their message passing structure. One mechanism for circumventing this limitation is to add unique node identifiers (IDs), which break the…

Machine Learning · Computer Science 2025-02-20 Maya Bechler-Speicher , Moshe Eliasof , Carola-Bibiane Schonlieb , Ran Gilad-Bachrach , Amir Globerson

Inferring the causal relationships among a set of variables in the form of a directed acyclic graph (DAG) is an important but notoriously challenging problem. Recently, advancements in high-throughput genomic perturbation screens have…

Machine Learning · Computer Science 2025-10-03 Seong Woo Han , Daniel Duy Vo , Brielin C. Brown

Graph representation learning (also called graph embeddings) is a popular technique for incorporating network structure into machine learning models. Unsupervised graph embedding methods aim to capture graph structure by learning a…

Social and Information Networks · Computer Science 2022-01-24 Andrew Stolman , Caleb Levy , C. Seshadhri , Aneesh Sharma

A main challenge in mining network-based data is finding effective ways to represent or encode graph structures so that it can be efficiently exploited by machine learning algorithms. Several methods have focused in network representation…

Social and Information Networks · Computer Science 2019-03-18 Leonardo Gutiérrez-Gómez , Jean-Charles Delvenne

Much data with graph structures satisfy the principle of homophily, meaning that connected nodes tend to be similar with respect to a specific attribute. As such, ubiquitous datasets for graph machine learning tasks have generally been…

Machine Learning · Computer Science 2021-07-07 Derek Lim , Xiuyu Li , Felix Hohne , Ser-Nam Lim

Different activation functions work best for different deep learning models. To exploit this, we leverage recent advancements in gradient-based search techniques for neural architectures to efficiently identify high-performing activation…

Machine Learning · Computer Science 2024-08-14 Lukas Strack , Mahmoud Safari , Frank Hutter

In many statistical applications, the dimension is too large to handle for standard high-dimensional machine learning procedures. This is particularly true for graphical models, where the interpretation of a large graph is difficult and…

Statistics Theory · Mathematics 2024-05-20 Luc Devroye , Gábor Lugosi , Piotr Zwiernik

Heterogeneous graphs offer powerful data representations for traffic, given their ability to model the complex interaction effects among a varying number of traffic participants and the underlying road infrastructure. With the recent advent…

Machine Learning · Computer Science 2023-04-25 Eivind Meyer , Maurice Brenner , Bowen Zhang , Max Schickert , Bilal Musani , Matthias Althoff

Graph anomaly detection (GAD) is increasingly crucial in various applications, ranging from financial fraud detection to fake news detection. However, current GAD methods largely overlook the fairness problem, which might result in…

Machine Learning · Computer Science 2025-03-04 Wenjing Chang , Kay Liu , Philip S. Yu , Jianjun Yu

Graph anomaly detection (GAD) is crucial in applications like fraud detection and cybersecurity. Despite recent advancements using graph neural networks (GNNs), two major challenges persist. At the model level, most methods adopt a…

Machine Learning · Computer Science 2026-02-06 Chunyu Wei , Siyuan He , Yu Wang , Yueguo Chen , Yunhai Wang , Bing Bai , Yidong Zhang , Yong Xie , Shunming Zhang , Fei Wang

Many optimization problems can be naturally represented as (hyper) graphs, where vertices correspond to variables and edges to tasks, whose cost depends on the values of the adjacent variables. Capitalizing on the structure of the graph,…

Logic in Computer Science · Computer Science 2015-04-13 Nicklas Hoch , Ugo Montanari , Matteo Sammartino

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in handling graph-structured data; however, they exhibit failures after deployment, which can cause severe consequences. Hence, conducting thorough testing before deployment…

Software Engineering · Computer Science 2025-12-23 Lichen Yang , Qiang Wang , Zhonghao Yang , Daojing He , Yu Li

The graph isomorphism problem asks whether two graphs are identical up to vertex relabeling. While the exact problem admits quasi-polynomial-time classical algorithms, many applications in molecular comparison, noisy network analysis, and…

Quantum Physics · Physics 2026-03-31 Prateek P. Kulkarni

Spectral graph convolutional neural networks (GCNNs) have been producing encouraging results in graph classification tasks. However, most spectral GCNNs utilize fixed graphs when aggregating node features, while omitting edge feature…

Computer Vision and Pattern Recognition · Computer Science 2022-10-06 Yang Yi , Xuequan Lu , Shang Gao , Antonio Robles-Kelly , Yuejie Zhang

The criteria for determining graph isomorphism are crucial for solving graph isomorphism problems. The necessary condition is that two isomorphic graphs possess invariants, but their function can only be used to filtrate and subdivide…

Graphics · Computer Science 2025-08-19 Chuanfu Hu , Aimin Hou

Graph Convolutional Networks (GCNs) are predominantly tailored for graphs displaying homophily, where similar nodes connect, but often fail on heterophilic graphs. The strategy of adopting distinct approaches to learn from homophilic and…

Machine Learning · Computer Science 2025-04-09 Han Lei , Jiaxing Xu , Xia Dong , Yiping Ke

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Event detection is a critical task for timely decision-making in graph analytics applications. Despite the recent progress towards deep learning on graphs, event detection on dynamic graphs presents particular challenges to existing…

Machine Learning · Computer Science 2023-02-15 Mert Kosan , Arlei Silva , Sourav Medya , Brian Uzzi , Ambuj Singh

Given a small random sample of $n$-bit strings labeled by an unknown Boolean function, which properties of this function can be tested computationally efficiently? We show an equivalence between properties that are efficiently testable from…

Computational Complexity · Computer Science 2026-04-07 Cynthia Dwork , Pranay Tankala

The subgraph isomorphism finding problem is a well-studied problem in the field of computer science and graph theory, and it aims to enumerate all instances of a query graph in the respective data graph. In this paper, we propose an…

Databases · Computer Science 2023-12-07 Zubair Ali Ansari , Muhammad Abulaish , Irfan Rashid Thoker , Jahiruddin