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Graph-structured data ubiquitously appears in science and engineering. Graph neural networks (GNNs) are designed to exploit the relational inductive bias exhibited in graphs; they have been shown to outperform other forms of neural networks…

Machine Learning · Computer Science 2021-02-03 Veronika Thost , Jie Chen

Discrete modelling frameworks of Biological networks can be divided in two distinct categories: Boolean and Multi-valued. Although Multi-valued networks are more expressive for qualifying the regulatory behaviours modelled by more than two…

Discrete Mathematics · Computer Science 2020-01-22 Franck Delaplace , Sergiu Ivanov

Graph-structured data are ubiquitous. However, graphs encode diverse types of information and thus play different roles in data representation. In this paper, we distinguish the \textit{representational} and the \textit{correlational} roles…

Machine Learning · Computer Science 2021-03-22 Jiaqi Ma , Bo Chang , Xuefei Zhang , Qiaozhu Mei

Boolean networks constitute relevant mathematical models to study the behaviours of genetic and signalling networks. These networks define regulatory influences between molecular nodes, each being associated to a Boolean variable and a…

Discrete Mathematics · Computer Science 2025-06-24 José E. R. Cury , Patrícia Tenera Roxo , Vasco Manquinho , Claudine Chaouiya , Pedro T. Monteiro

Boolean network models of molecular regulatory networks have been used successfully in computational systems biology. The Boolean functions that appear in published models tend to have special properties, in particular the property of being…

Dynamical Systems · Mathematics 2024-07-09 Yuan Li , John O. Adeyeye , David Murrugarra , Boris Aguilar , Reinhard Laubenbacher

Recently, Graph Neural Networks (GNNs) have greatly advanced the task of graph classification. Typically, we first build a unified GNN model with graphs in a given training set and then use this unified model to predict labels of all the…

Machine Learning · Computer Science 2021-12-15 Yiqi Wang , Yao Ma , Wei Jin , Chaozhuo Li , Charu Aggarwal , Jiliang Tang

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

Machine Learning · Computer Science 2019-02-26 Keyulu Xu , Weihua Hu , Jure Leskovec , Stefanie Jegelka

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

Classification of Non-linear Boolean functions is a long-standing problem in the area of theoretical computer science. In this paper, effort has been made to achieve a systematic classification of all n-variable Boolean functions, where…

Logic in Computer Science · Computer Science 2013-03-15 Ranjeet Kumar Rout , Pabitra Pal Choudhury , Sudhakar Sahoo

Graph convolutional neural networks (GCNN) have been successfully applied to many different graph based learning tasks including node and graph classification, matrix completion, and learning of node embeddings. Despite their impressive…

Machine Learning · Computer Science 2019-10-29 Soumyasundar Pal , Florence Regol , Mark Coates

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Machine Learning · Computer Science 2024-06-24 Max Wasserman , Gonzalo Mateos

We investigate the expressive power of neural networks from the point of view of descriptive complexity. We study neural networks that use floating-point numbers and piecewise polynomial activation functions from two perspectives: 1) the…

Computational Complexity · Computer Science 2025-05-12 Veeti Ahvonen , Damian Heiman , Antti Kuusisto

We characterise the computational power of recurrent graph neural networks (GNNs) in terms of arithmetic circuits over the real numbers. Our networks are not restricted to aggregate-combine GNNs or other particular types. Generalising…

Computational Complexity · Computer Science 2026-05-05 Timon Barlag , Vivian Holzapfel , Laura Strieker , Jonni Virtema , Heribert Vollmer

Graph neural networks are popular architectures for graph machine learning, based on iterative computation of node representations of an input graph through a series of invariant transformations. A large class of graph neural networks…

Machine Learning · Computer Science 2024-06-11 Ben Finkelshtein , Xingyue Huang , Michael Bronstein , İsmail İlkan Ceylan

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

Boolean networks are an important class of computational models for molecular interaction networks. Boolean canalization, a type of hierarchical clustering of the inputs of a Boolean function, has been extensively studied in the context of…

Molecular Networks · Quantitative Biology 2024-07-09 David Murrugarra , Elena S. Dimitrova

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

Machine Learning · Computer Science 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

The task of inferring the missing links in a graph based on its current structure is referred to as link prediction. Link prediction methods that are based on pairwise node similarity are well-established approaches in the literature. They…

Social and Information Networks · Computer Science 2020-08-21 Md Kamrul Islam , Sabeur Aridhi , Malika Smail-Tabbone

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Graph Neural Networks (GNNs) often assume strong homophily for graph classification, seldom considering heterophily, which means connected nodes tend to have different class labels and dissimilar features. In real-world scenarios, graphs…

Machine Learning · Computer Science 2024-05-10 Jiayi Yang , Sourav Medya , Wei Ye