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Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…

Signal Processing · Electrical Eng. & Systems 2021-09-01 Zhan Gao , Elvin Isufi , Alejandro Ribeiro

We introduce the framework of continuous-depth graph neural networks (GNNs). Neural graph differential equations (Neural GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of GNN…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Clayton M. Rabideau , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

Our proposed framework attempts to break the trade-off between performance and explainability by introducing an explainable-by-design convolutional neural network (CNN) based on the lateral inhibition mechanism. The ExplaiNet model consists…

Machine Learning · Computer Science 2024-11-04 Pantelis I. Kaplanoglou , Konstantinos Diamantaras

Recent years have witnessed the great success of deep neural networks in many research areas. The fundamental idea behind the design of most neural networks is to learn similarity patterns from data for prediction and inference, which lacks…

Artificial Intelligence · Computer Science 2019-10-22 Shaoyun Shi , Hanxiong Chen , Min Zhang , Yongfeng Zhang

Graph neural networks (GNNs) have attracted much attention due to their ability to leverage the intrinsic geometries of the underlying data. Although many different types of GNN models have been developed, with many benchmarking procedures…

Differential equations are a ubiquitous tool to study dynamics, ranging from physical systems to complex systems, where a large number of agents interact through a graph with non-trivial topological features. Data-driven approximations of…

Statistical Mechanics · Physics 2024-04-26 Vaiva Vasiliauskaite , Nino Antulov-Fantulin

Predicting how the brain can be driven to specific states by means of internal or external control requires a fundamental understanding of the relationship between neural connectivity and activity. Network control theory is a powerful tool…

Neurons and Cognition · Quantitative Biology 2019-08-12 Teresa M. Karrer , Jason Z. Kim , Jennifer Stiso , Ari E. Kahn , Fabio Pasqualetti , Ute Habel , Danielle S. Bassett

We study the problem of graph structure identification, i.e., of recovering the graph of dependencies among time series. We model these time series data as components of the state of linear stochastic networked dynamical systems. We assume…

Machine Learning · Computer Science 2023-06-29 Sérgio Machado , Anirudh Sridhar , Paulo Gil , Jorge Henriques , José M. F. Moura , Augusto Santos

A fundamental challenge in understanding graph neural networks (GNNs) lies in characterizing their optimization dynamics and loss landscape geometry, critical for improving interpretability and robustness. While mode connectivity, a lens…

Machine Learning · Computer Science 2025-02-19 Bingheng Li , Zhikai Chen , Haoyu Han , Shenglai Zeng , Jingzhe Liu , Jiliang Tang

Recently, a large number of neural mechanisms and models have been proposed for sequence learning, of which self-attention, as exemplified by the Transformer model, and graph neural networks (GNNs) have attracted much attention. In this…

Computation and Language · Computer Science 2018-11-22 Pengfei Liu , Shuaichen Chang , Xuanjing Huang , Jian Tang , Jackie Chi Kit Cheung

Link prediction is a classical problem in graph analysis with many practical applications. For directed graphs, recently developed deep learning approaches typically analyze node similarities through contrastive learning and aggregate…

Machine Learning · Computer Science 2025-06-26 Yuyang Zhang , Xu Shen , Yu Xie , Ka-Chun Wong , Weidun Xie , Chengbin Peng

Many real-world complex systems, such as epidemic spreading networks and ecosystems, can be modeled as networked dynamical systems that produce multivariate time series. Learning the intrinsic dynamics from observational data is pivotal for…

Machine Learning · Computer Science 2024-12-30 Yanna Ding , Zijie Huang , Malik Magdon-Ismail , Jianxi Gao

Understanding the training dynamics of deep neural networks (DNNs) is important as it can lead to improved training efficiency and task performance. Recent works have demonstrated that representing the wirings of static graph cannot capture…

Machine Learning · Computer Science 2023-02-22 Fatemeh Vahedian , Ruiyu Li , Puja Trivedi , Di Jin , Danai Koutra

A given neural network in the brain is involved in many different tasks. This implies that, when considering a specific task, the network's connectivity contains a component which is related to the task and another component which can be…

Neurons and Cognition · Quantitative Biology 2021-03-17 Friedrich Schuessler , Alexis Dubreuil , Francesca Mastrogiuseppe , Srdjan Ostojic , Omri Barak

Deep learning on graphs and in particular, graph convolutional neural networks, have recently attracted significant attention in the machine learning community. Many of such techniques explore the analogy between the graph Laplacian…

Machine Learning · Computer Science 2018-02-07 Federico Monti , Karl Otness , Michael M. Bronstein

Graph neural networks (GNNs) are learning architectures that rely on knowledge of the graph structure to generate meaningful representations of large-scale network data. GNN stability is thus important as in real-world scenarios there are…

Machine Learning · Computer Science 2021-04-27 Luana Ruiz , Zhiyang Wang , Alejandro Ribeiro

In the past two decades, significant advances have been made in understanding the structural and functional properties of biological networks, via graph-theoretic analysis. In general, most graph-theoretic studies are conducted in the…

Physics and Society · Physics 2013-10-21 Michelle Rudolph-Lilith , Lyle E. Muller

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

Social and Information Networks · Computer Science 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

Deep neural networks can be powerful tools, but require careful application-specific design to ensure that the most informative relationships in the data are learnable. In this paper, we apply deep neural networks to the nonlinear…

Machine Learning · Computer Science 2019-12-04 Matthew A. Wright , Simon F. G. Ehlers , Roberto Horowitz
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