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Semi-supervised learning algorithms typically construct a weighted graph of data points to represent a manifold. However, an explicit graph representation is problematic for neural networks operating in the online setting. Here, we propose…

Machine Learning · Computer Science 2019-10-22 Alexander Genkin , Anirvan M. Sengupta , Dmitri Chklovskii

Finding inherent or processed links within a dataset allows to discover potential knowledge. The main contribution of this article is to define a global framework that enables optimal knowledge discovery by visually rendering co-occurences…

Social and Information Networks · Computer Science 2018-09-05 Xavier Ouvrard , Jean-Marie Le Goff , Stephane Marchand-Maillet

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

Machine Learning · Computer Science 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

Modern sociology has profoundly uncovered many convincing social criteria for behavioural analysis. Unfortunately, many of them are too subjective to be measured and presented in online social networks. On the other hand, data mining…

Social and Information Networks · Computer Science 2023-01-09 Xiangguo Sun , Hong Cheng , Bo Liu , Jia Li , Hongyang Chen , Guandong Xu , Hongzhi Yin

A road network, in the context of traffic forecasting, is typically modeled as a graph where the nodes are sensors that measure traffic metrics (such as speed) at that location. Traffic forecasting is interesting because it is complex as…

Machine Learning · Computer Science 2023-05-11 Arian Prabowo , Hao Xue , Wei Shao , Piotr Koniusz , Flora D. Salim

Biological and cellular systems are often modeled as graphs in which vertices represent objects of interest (genes, proteins, drugs) and edges represent relational ties among these objects (binds-to, interacts-with, regulates). This…

Machine Learning · Statistics 2017-03-16 Jose Lugo-Martinez , Predrag Radivojac

Message-passing neural networks (MPNNs) are a powerful framework for learning representations of graph-structured domains. However, weights in MPNNs act on features only, limiting their ability to capture structural patterns. We introduce a…

Machine Learning · Computer Science 2026-05-26 Florian Seiffarth

Graph Neural Networks (GNNs) have achieved remarkable performance in modeling graphs for various applications. However, most existing GNNs assume the graphs exhibit strong homophily in node labels, i.e., nodes with similar labels are…

Machine Learning · Computer Science 2023-02-20 Enyan Dai , Shijie Zhou , Zhimeng Guo , Suhang Wang

In this paper, we study semi-supervised graph classification, which aims at accurately predicting the categories of graphs in scenarios with limited labeled graphs and abundant unlabeled graphs. Despite the promising capability of graph…

Machine Learning · Computer Science 2024-05-29 Wei Ju , Zhengyang Mao , Siyu Yi , Yifang Qin , Yiyang Gu , Zhiping Xiao , Yifan Wang , Xiao Luo , Ming Zhang

Signal processing over graphs has recently attracted significant attentions for dealing with structured data. Normal graphs, however, only model pairwise relationships between nodes and are not effective in representing and capturing some…

Signal Processing · Electrical Eng. & Systems 2020-06-05 Songyang Zhang , Zhi Ding , Shuguang Cui

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

The representation of complex systems as networks is inappropriate for the study of certain problems. We show several examples of social, biological, ecological and technological systems where the use of complex networks gives very limited…

Physics and Society · Physics 2013-04-02 Ernesto Estrada , Juan A. Rodriguez-Velazquez

Many problems such as node classification and link prediction in network data can be solved using graph embeddings. However, it is difficult to use graphs to capture non-binary relations such as communities of nodes. These kinds of complex…

Social and Information Networks · Computer Science 2022-01-27 Sepideh Maleki , Donya Saless , Dennis P. Wall , Keshav Pingali

Despite recent advances in representation learning in hypercomplex (HC) space, this subject is still vastly unexplored in the context of graphs. Motivated by the complex and quaternion algebras, which have been found in several contexts to…

Machine Learning · Computer Science 2022-02-22 Tuan Le , Marco Bertolini , Frank Noé , Djork-Arné Clevert

The ability to model relational information using machine learning has driven advancements across various domains, from medicine to social science. While graph representation learning has become mainstream over the past decade, representing…

Machine Learning · Computer Science 2025-06-12 Iulia Duta , Pietro Liò

Self-supervised learning is currently gaining a lot of attention, as it allows neural networks to learn robust representations from large quantities of unlabeled data. Additionally, multi-task learning can further improve representation…

Machine Learning · Computer Science 2020-12-07 Franco Manessi , Alessandro Rozza

In heterogeneous graphs, we can observe complex structures such as tree-like or hierarchical structures. Recently, the hyperbolic space has been widely adopted in many studies to effectively learn these complex structures. Although these…

Machine Learning · Computer Science 2026-01-14 Jongmin Park , Seunghoon Han , Hyewon Lee , Won-Yong Shin , Sungsu Lim

We address a largely open problem of multilabel classification over graphs. Unlike traditional vector input, a graph has rich variable-size substructures which are related to the labels in some ways. We believe that uncovering these…

Machine Learning · Computer Science 2018-04-12 Kien Do , Truyen Tran , Thin Nguyen , Svetha Venkatesh

Heterogeneous graph representation learning aims to learn low-dimensional vector representations of different types of entities and relations to empower downstream tasks. Existing methods either capture semantic relationships but indirectly…

Machine Learning · Computer Science 2025-08-14 Hao Xu , Shengqi Sang , Peizhen Bai , Laurence Yang , Haiping Lu

It is fundamental for science and technology to be able to predict chemical reactions and their properties. To achieve such skills, it is important to develop good representations of chemical reactions, or good deep learning architectures…

Machine Learning · Computer Science 2022-01-05 Mohammadamin Tavakoli , Alexander Shmakov , Francesco Ceccarelli , Pierre Baldi