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One of the central challenges in modern machine learning is understanding how neural networks generalize knowledge learned from training data to unseen test data. While numerous empirical techniques have been proposed to improve…

Machine Learning · Computer Science 2025-04-18 Entao Yang , Xiaotian Zhang , Yue Shang , Ge Zhang

Graph transformation that predicts graph transition from one mode to another is an important and common problem. Despite much progress in developing advanced graph transformation techniques in recent years, the fundamental assumption…

Machine Learning · Computer Science 2023-05-25 Shiyu Wang , Guangji Bai , Qingyang Zhu , Zhaohui Qin , Liang Zhao

Graph-structured data such as social networks, functional brain networks, gene regulatory networks, communications networks have brought the interest in generalizing deep learning techniques to graph domains. In this paper, we are…

Machine Learning · Computer Science 2018-04-25 Xavier Bresson , Thomas Laurent

Given partial measurements of a time-varying graph signal, we propose an algorithm to simultaneously estimate both the underlying graph topology and the missing measurements. The proposed algorithm operates by training an interpretable…

Signal Processing · Electrical Eng. & Systems 2024-07-17 Subbareddy Batreddy , Pushkal Mishra , Yaswanth Kakarla , Aditya Siripuram

While branching network structures abound in nature, their objective analysis is more difficult than expected because existing quantitative methods often rely on the subjective judgment of branch structures. This problem is particularly…

Algebraic Topology · Mathematics 2024-02-13 Haruhisa Oda , Mayuko Kida , Yoichi Nakata , Hiroki Kurihara

Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful…

Machine Learning · Statistics 2024-11-08 Mauricio Velasco , Kaiying O'Hare , Bernardo Rychtenberg , Soledad Villar

Neural networks are promising tools for high-throughput and accurate transmission electron microscopy (TEM) analysis of nanomaterials, but are known to generalize poorly on data that is "out-of-distribution" from their training data. Given…

Materials Science · Physics 2023-06-22 Katherine Sytwu , Luis Rangel DaCosta , Mary C. Scott

Graph Neural Networks (GNNs) have excelled in predicting graph properties in various applications ranging from identifying trends in social networks to drug discovery and malware detection. With the abundance of new architectures and…

Machine Learning · Computer Science 2024-06-06 Roya Aliakbarisani , Robert Jankowski , M. Ángeles Serrano , Marián Boguñá

Graph Neural Networks (GNNs), despite achieving remarkable performance across different tasks, are theoretically bounded by the 1-Weisfeiler-Lehman test, resulting in limitations in terms of graph expressivity. Even though prior works on…

Machine Learning · Computer Science 2024-04-02 Quang Truong , Peter Chin

Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…

Neurons and Cognition · Quantitative Biology 2026-02-17 Cédric Allier , Larissa Heinrich , Magdalena Schneider , Stephan Saalfeld

We derive an exact representation of the topological effect on the dynamics of sequence processing neural networks within signal-to-noise analysis. A new network structure parameter, loopiness coefficient, is introduced to quantitatively…

Disordered Systems and Neural Networks · Physics 2008-05-11 Pan Zhang , Yong Chen

We consider the problem of estimating the topology of multiple networks from nodal observations, where these networks are assumed to be drawn from the same (unknown) random graph model. We adopt a graphon as our random graph model, which is…

Machine Learning · Statistics 2022-12-21 Madeline Navarro , Santiago Segarra

Topological neural networks (TNNs) are information processing architectures that model representations from data lying over topological spaces (e.g., simplicial or cell complexes) and allow for decentralized implementation through localized…

Information Theory · Computer Science 2025-02-17 Simone Fiorellino , Claudio Battiloro , Paolo Di Lorenzo

We present our ongoing work on understanding the limitations of graph convolutional networks (GCNs) as well as our work on generalizations of graph convolutions for representing more complex node attribute dependencies. Based on an analysis…

Machine Learning · Computer Science 2018-05-07 Mathias Niepert , Alberto Garcia-Duran

Link prediction, which consists of predicting edges based on graph features, is a fundamental task in many graph applications. As for several related problems, Graph Neural Networks (GNNs), which are based on an attribute-centric…

Machine Learning · Computer Science 2023-05-24 Zexi Huang , Mert Kosan , Arlei Silva , Ambuj Singh

We derive a differential equation that governs the evolution of the generalization gap when a deep network is trained by gradient descent. This differential equation is controlled by two quantities, a contraction factor that brings together…

Machine Learning · Computer Science 2025-10-14 Rubing Yang , Pratik Chaudhari

Exploring meaningful structural regularities embedded in networks is a key to understanding and analyzing the structure and function of a network. The node-attribute information can help improve such understanding and analysis. However,…

Social and Information Networks · Computer Science 2021-12-08 Wei Liu , Zhenhai Chang , Caiyan Jia , Yimei Zheng

Solving optimization tasks based on functions and losses with a topological flavor is a very active, growing field of research in data science and Topological Data Analysis, with applications in non-convex optimization, statistics and…

Computational Geometry · Computer Science 2021-02-19 Mathieu Carrière , Frédéric Chazal , Marc Glisse , Yuichi Ike , Hariprasad Kannan

Graph neural networks (GNNs) have emerged as a fundamental tool for learning from graph-structured data, achieving strong performance across a wide range of applications. However, understanding their generalization capabilities remains…

Machine Learning · Computer Science 2026-05-14 Peiyao Wang , Liang Bai , Xian Yang , Richard Yi Da Xu , Jiye Liang

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera