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In this paper, we develop a new aligned vertex convolutional network model to learn multi-scale local-level vertex features for graph classification. Our idea is to transform the graphs of arbitrary sizes into fixed-sized aligned vertex…

Machine Learning · Computer Science 2019-02-27 Lu Bai , Lixin Cui , Shu Wu , Yuhang Jiao , Edwin R. Hancock

Graph-structured data arise naturally in many different application domains. By representing data as graphs, we can capture entities (i.e., nodes) as well as their relationships (i.e., edges) with each other. Many useful insights can be…

Artificial Intelligence · Computer Science 2018-07-24 John Boaz Lee , Ryan A. Rossi , Sungchul Kim , Nesreen K. Ahmed , Eunyee Koh

Graphs are fundamental mathematical structures used in various fields to represent data, signals and processes. In this paper, we propose a novel framework for learning/estimating graphs from data. The proposed framework includes (i)…

Machine Learning · Computer Science 2017-07-07 Hilmi E. Egilmez , Eduardo Pavez , Antonio Ortega

The performance analytics domain in High Performance Computing (HPC) uses tabular data to solve regression problems, such as predicting the execution time. Existing Machine Learning (ML) techniques leverage the correlations among features…

Machine Learning · Computer Science 2024-01-22 Tarek Ramadan , Ankur Lahiry , Tanzima Z. Islam

Conformal prediction has become increasingly popular for quantifying the uncertainty associated with machine learning models. Recent work in graph uncertainty quantification has built upon this approach for conformal graph prediction. The…

Machine Learning · Computer Science 2025-05-21 Pranav Maneriker , Aditya T. Vadlamani , Anutam Srinivasan , Yuntian He , Ali Payani , Srinivasan Parthasarathy

International initiatives such as METABRIC (Molecular Taxonomy of Breast Cancer International Consortium) have collected several multigenomic and clinical data sets to identify the undergoing molecular processes taking place throughout the…

Machine Learning · Computer Science 2022-11-29 Teodora Reu

Graphs may be used to represent many different problem domains -- a concrete example is that of detecting communities in social networks, which are represented as graphs. With big data and more sophisticated applications becoming widespread…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-03 Miguel E. Coimbra , Alexandre P. Francisco , Luis Veiga

Benchmark data sets are a cornerstone of machine learning development and applications, ensuring new methods are robust, reliable and competitive. The relative rarity of benchmark sets in computational science, due to the uniqueness of the…

Machine Learning · Computer Science 2025-07-01 Amanda S Barnard

Various graph contrastive learning models have been proposed to improve the performance of learning tasks on graph datasets in recent years. While effective and prevalent, these models are usually carefully customized. In particular,…

Machine Learning · Computer Science 2021-11-01 Dongkuan Xu , Wei Cheng , Dongsheng Luo , Haifeng Chen , Xiang Zhang

Charts represent an essential source of visual information in documents and facilitate a deep understanding and interpretation of information typically conveyed numerically. In the scientific literature, there are many charts, each with its…

Computer Vision and Pattern Recognition · Computer Science 2023-07-11 Anurag Dhote , Mohammed Javed , David S Doermann

The link prediction task on knowledge graphs without explicit negative triples in the training data motivates the usage of rank-based metrics. Here, we review existing rank-based metrics and propose desiderata for improved metrics to…

Machine Learning · Computer Science 2022-04-20 Charles Tapley Hoyt , Max Berrendorf , Mikhail Galkin , Volker Tresp , Benjamin M. Gyori

The HPEC Graph Challenge is a collection of benchmarks representing complex workloads that test the hardware and software components of HPC systems, which traditional benchmarks, such as LINPACK, do not. The first benchmark, Subgraph…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-05 Siddharth Samsi , Dan Campbell , Emanuel Scoullos , Oded Green

Many algorithms for ranked data become computationally intractable as the number of objects grows due to the complex geometric structure induced by rankings. An additional challenge is posed by partial rankings, i.e. rankings in which the…

Machine Learning · Computer Science 2022-07-19 Michelangelo Conserva , Marc Peter Deisenroth , K S Sesh Kumar

Graph classification, which aims to identify the category labels of graphs, plays a significant role in drug classification, toxicity detection, protein analysis etc. However, the limitation of scale in the benchmark datasets makes it easy…

Machine Learning · Computer Science 2021-04-06 Jiajun Zhou , Jie Shen , Shanqing Yu , Guanrong Chen , Qi Xuan

Graphs can be used to represent and reason about systems and a variety of metrics have been devised to quantify their global characteristics. However, little is currently known about how to construct a graph or improve an existing one given…

Machine Learning · Computer Science 2021-10-28 Victor-Alexandru Darvariu , Stephen Hailes , Mirco Musolesi

Graph Neural Networks (GNNs) have become the dominant framework for inductive graph-level learning. Yet most benchmarks focus on the regime $n \gg p$, where the number of graphs $n$ greatly exceeds the number of nodes per graph $p$. This…

Machine Learning · Computer Science 2026-05-18 Louisa Cornelis , Johan Mathe , Louis Van Langendonck , Guillermo Bernárdez , Nina Miolane

In this paper we introduce a new technique to analyze families of rankings focused on the study of structural properties of a new type of graphs. Given a finite number of elements and a family of rankings of those elements, we say that two…

Combinatorics · Mathematics 2014-03-26 Regino Criado , Esther Garcia , Francisco Pedroche , Miguel Romance

Graph-structured data is ubiquitous in the world which models complex relationships between objects, enabling various Web applications. Daily influxes of unlabeled graph data on the Web offer immense potential for these applications. Graph…

Machine Learning · Computer Science 2024-03-12 Yun Zhu , Yaoke Wang , Haizhou Shi , Zhenshuo Zhang , Dian Jiao , Siliang Tang

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…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

The value of graph-based big data can be unlocked by exploring the topology and metrics of the networks they represent, and the computational approaches to this exploration take on many forms. The use-case of performing global computations…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-04-13 Miguel E. Coimbra , Alexandre P. Francisco , Luís Veiga