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Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…

Chemical Physics · Physics 2023-12-22 Junwu Chen , Philippe Schwaller

Hypergraphs provide a natural representation for many real world datasets. We propose a novel framework, HNHN, for hypergraph representation learning. HNHN is a hypergraph convolution network with nonlinear activation functions applied to…

Machine Learning · Computer Science 2020-07-15 Yihe Dong , Will Sawin , Yoshua Bengio

We consider hypergraph network design problems where the goal is to construct a hypergraph that satisfies certain connectivity requirements. For graph network design problems where the goal is to construct a graph that satisfies certain…

Data Structures and Algorithms · Computer Science 2024-02-19 Kristóf Bérczi , Karthekeyan Chandrasekaran , Tamás Király , Shubhang Kulkarni

Graphs as a type of data structure have recently attracted significant attention. Representation learning of geometric graphs has achieved great success in many fields including molecular, social, and financial networks. It is natural to…

Machine Learning · Computer Science 2021-07-08 Tian Xia , Wei-Shinn Ku

Our work introduces an innovative approach to graph learning by leveraging Hyperdimensional Computing. Graphs serve as a widely embraced method for conveying information, and their utilization in learning has gained significant attention.…

Machine Learning · Computer Science 2024-03-20 Pere Verges , Igor Nunes , Mike Heddes , Tony Givargis , Alexandru Nicolau

We introduce a spatial graph and hypergraph model that smoothly interpolates between a graph with purely pairwise edges and a graph where all connections are in large hyperedges. The key component is a spatial clustering resolution…

Social and Information Networks · Computer Science 2025-04-10 Omar Eldaghar , Yu Zhu , David F. Gleich

Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…

Machine Learning · Computer Science 2025-03-11 Michael Wienczkowski , Addisu Desta , Paschal Ugochukwu

Previous hypergraph expansions are solely carried out on either vertex level or hyperedge level, thereby missing the symmetric nature of data co-occurrence, and resulting in information loss. To address the problem, this paper treats…

Machine Learning · Computer Science 2023-04-14 Chaoqi Yang , Ruijie Wang , Shuochao Yao , Tarek Abdelzaher

Existing graph layout algorithms are usually not able to optimize all the aesthetic properties desired in a graph layout. To evaluate how well the desired visual features are reflected in a graph layout, many readability metrics have been…

Computer Vision and Pattern Recognition · Computer Science 2018-11-16 Hammad Haleem , Yong Wang , Abishek Puri , Sahil Wadhwa , Huamin Qu

A weighting of the edges of a hypergraph is called vertex-coloring if the weighted degrees of the vertices yield a proper coloring of the graph, i.e., every edge contains at least two vertices with different weighted degrees. In this paper…

Combinatorics · Mathematics 2016-05-20 Maciej Kalkowski , Michał Karoński , Florian Pfender

In this paper, we study the exact learning problem for weighted graphs, where we are given the vertex set, $V$, of a weighted graph, $G=(V,E,w)$, but we are not given $E$. The problem, which is also known as graph reconstruction, is to…

Data Structures and Algorithms · Computer Science 2025-11-20 Michael T. Goodrich , Songyu Liu , Ioannis Panageas

The relations, rather than the elements, constitute the structure of networks. We therefore develop a systematic approach to the analysis of networks, modelled as graphs or hypergraphs, that is based on structural properties of…

Discrete Mathematics · Computer Science 2020-12-08 Marzieh Eidi , Amirhossein Farzam , Wilmer Leal , Areejit Samal , Jürgen Jost

Graph clustering is a fundamental problem in unsupervised learning, with numerous applications in computer science and in analysing real-world data. In many real-world applications, we find that the clusters have a significant high-level…

Data Structures and Algorithms · Computer Science 2023-01-02 Peter Macgregor

Hypergraphs, a generalization of graphs, naturally represent groupwise relationships among multiple individuals or objects, which are common in many application areas, including web, bioinformatics, and social networks. The flexibility in…

Social and Information Networks · Computer Science 2021-04-21 Geon Lee , Minyoung Choe , Kijung Shin

We propose a new method for embedding graphs while preserving directed edge information. Learning such continuous-space vector representations (or embeddings) of nodes in a graph is an important first step for using network information…

Machine Learning · Computer Science 2017-09-15 Sami Abu-El-Haija , Bryan Perozzi , Rami Al-Rfou

Most existing graph-based semi-supervised hyperspectral image classification methods rely on superpixel partitioning techniques. However, they suffer from misclassification of certain pixels due to inaccuracies in superpixel boundaries,…

Computer Vision and Pattern Recognition · Computer Science 2025-03-21 Yuqing Zhang , Qi Han , Ligeng Wang , Kai Cheng , Bo Wang , Kun Zhan

Hypergraphs are a generalization of graphs in which edges can connect any number of vertices. They allow the modeling of complex networks with higher-order interactions, and their spectral theory studies the qualitative properties that can…

Combinatorics · Mathematics 2021-12-01 Raffaella Mulas

Sparse models for high-dimensional linear regression and machine learning have received substantial attention over the past two decades. Model selection, or determining which features or covariates are the best explanatory variables, is…

Machine Learning · Statistics 2019-10-15 Yuan Li , Benjamin Mark , Garvesh Raskutti , Rebecca Willett , Hyebin Song , David Neiman

For graph classification tasks, many traditional kernel methods focus on measuring the similarity between graphs. These methods have achieved great success on resolving graph isomorphism problems. However, in some classification problems,…

Machine Learning · Computer Science 2021-02-18 Jianming Huang , Hiroyuki Kasai

Graph is a universe data structure that is widely used to organize data in real-world. Various real-word networks like the transportation network, social and academic network can be represented by graphs. Recent years have witnessed the…

Machine Learning · Computer Science 2021-11-23 Xueyi Liu , Jie Tang