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Graph Out-of-Distribution (OOD) detection aims to identify whether a test graph deviates from the distribution of graphs observed during training, which is critical for ensuring the reliability of Graph Neural Networks (GNNs) when deployed…

Machine Learning · Computer Science 2026-02-20 Luzhi Wang , Xuanshuo Fu , He Zhang , Chuang Liu , Xiaobao Wang , Hongbo Liu

Heterogeneous graph neural networks (HGNNs) have demonstrated strong capability in modeling complex semantics across multi-type nodes and relations. However, their scalability to large-scale graphs remains challenging due to structural…

Machine Learning · Computer Science 2025-12-12 Fuyan Ou , Siqi Ai , Yulin Hu

The local inductive bias of message-passing graph neural networks (GNNs) hampers their ability to exploit key structural information (e.g., connectivity and cycles). Positional encoding (PE) and Persistent Homology (PH) have emerged as two…

Machine Learning · Computer Science 2025-06-09 Yogesh Verma , Amauri H. Souza , Vikas Garg

Hypergraphs, with their capacity to depict high-order relationships, have emerged as a significant extension of traditional graphs. Although Graph Neural Networks (GNNs) have remarkable performance in graph representation learning, their…

Machine Learning · Computer Science 2024-11-07 Khaled Mohammed Saifuddin , Mehmet Emin Aktas , Esra Akbas

Many popular network models rely on the assumption of (vertex) exchangeability, in which the distribution of the graph is invariant to relabelings of the vertices. However, the Aldous-Hoover theorem guarantees that these graphs are dense or…

Machine Learning · Statistics 2017-02-07 Diana Cai , Trevor Campbell , Tamara Broderick

Graphs model latent variable relationships in many real-world systems, and Message Passing Neural Networks (MPNNs) are widely used to learn such structures for downstream tasks. While edge-based MPNNs effectively capture local interactions,…

Machine Learning · Computer Science 2025-11-27 Thomas Bailie , Yun Sing Koh , Karthik Mukkavilli

Representing graph data in a low-dimensional space for subsequent tasks is the purpose of attributed graph embedding. Most existing neural network approaches learn latent representations by minimizing reconstruction errors. Rare work…

Machine Learning · Computer Science 2024-01-15 Bozhen Hu , Zelin Zang , Jun Xia , Lirong Wu , Cheng Tan , Stan Z. Li

This work introduces NetDiff, an expressive graph denoising diffusion probabilistic architecture that generates wireless ad hoc network link topologies. Such networks, with directional antennas, can achieve unmatched performance when the…

Social and Information Networks · Computer Science 2024-10-14 Félix Marcoccia , Cédric Adjih , Paul Mühlethaler

We present a new paradigm for Neural ODE algorithms, called ODEtoODE, where time-dependent parameters of the main flow evolve according to a matrix flow on the orthogonal group O(d). This nested system of two flows, where the parameter-flow…

We propose a new model that describes the dynamics of epidemic spreading on connected graphs. Our model consists in a PDE-ODE system where at each vertex of the graph we have a standard SIR model and connexions between vertices are given by…

Analysis of PDEs · Mathematics 2020-11-25 Christophe Besse , Grégory Faye

A heterogeneous graph consists of different vertices and edges types. Learning on heterogeneous graphs typically employs meta-paths to deal with the heterogeneity by reducing the graph to a homogeneous network, guide random walks or capture…

Machine Learning · Statistics 2023-03-06 See Hian Lee , Feng Ji , Wee Peng Tay

In this paper we develop a novel Topological Data Analysis (TDA) approach for studying graph representations of time series of dynamical systems. Specifically, we show how persistent homology, a tool from TDA, can be used to yield a…

Chaotic Dynamics · Physics 2020-01-28 Audun Myers , Elizabeth Munch , Firas A. Khasawneh

Accurate forecasting of energy demand and supply is critical for optimizing sustainable energy systems, yet it is challenged by the variability of renewable sources and dynamic consumption patterns. This paper introduces a neural framework…

Machine Learning · Computer Science 2025-07-15 Usman Gani Joy

Graph Neural Networks (GNNs) have achieved impressive performance in graph-related tasks. However, they suffer from poor generalization on out-of-distribution (OOD) data, as they tend to learn spurious correlations. Such correlations…

Machine Learning · Statistics 2026-03-26 Bowen Lu , Liangqiang Yang , Teng Li

Non-local self-similarity is well-known to be an effective prior for the image denoising problem. However, little work has been done to incorporate it in convolutional neural networks, which surpass non-local model-based methods despite…

Image and Video Processing · Electrical Eng. & Systems 2023-07-19 Diego Valsesia , Giulia Fracastoro , Enrico Magli

Random ordinary differential equations (RODEs), i.e. ODEs with random parameters, are often used to model complex dynamics. Most existing methods to identify unknown governing RODEs from observed data often rely on strong prior knowledge.…

Numerical Analysis · Mathematics 2020-06-04 Junyu Liu , Zichao Long , Ranran Wang , Jie Sun , Bin Dong

Graphs are a highly expressive abstraction for modeling entities and their relations, such as molecular structures, social networks, and traffic networks. Deep Graph Networks (DGNs) have emerged as a family of deep learning models that can…

Machine Learning · Computer Science 2024-10-16 Alessio Gravina

Graph neural networks (GNNs) have demonstrated excellent performance in semi-supervised node classification tasks. Despite this, two primary challenges persist: heterogeneity and heterophily. Each of these two challenges can significantly…

Machine Learning · Computer Science 2025-04-14 Kangkang Lu , Yanhua Yu , Zhiyong Huang , Yunshan Ma , Xiao Wang , Meiyu Liang , Yuling Wang , Yimeng Ren , Tat-Seng Chua

Graph neural networks (GNNs) for temporal graphs have recently attracted increasing attentions, where a common assumption is that the class set for nodes is closed. However, in real-world scenarios, it often faces the open set problem with…

Machine Learning · Computer Science 2023-05-26 Kaituo Feng , Changsheng Li , Xiaolu Zhang , Jun Zhou

We propose a practical computational framework for detecting structural changes in parameter-dependent topological data. In many applications, such as time-series data analysis, anomaly detection, and monitoring of systems under changing…

Algebraic Topology · Mathematics 2026-05-28 Satoshi Kanno , Rei Nishimura , Hiroshi Yamauchi , Yoshi-aki Shimada