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Graph Neural Networks (GNNs) are powerful tools for graph representation learning. Despite their rapid development, GNNs also face some challenges, such as over-fitting, over-smoothing, and non-robustness. Previous works indicate that these…

Machine Learning · Computer Science 2023-07-04 Taoran Fang , Zhiqing Xiao , Chunping Wang , Jiarong Xu , Xuan Yang , Yang Yang

The quest for efficient and robust deep learning models for molecular systems representation is increasingly critical in scientific exploration. The advent of message passing neural networks has marked a transformative era in graph-based…

Computational Physics · Physics 2026-01-05 Jian Chang , Shuze Zhu

Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience…

Machine Learning · Computer Science 2024-02-16 Guoji Fu , Mohammed Haroon Dupty , Yanfei Dong , Lee Wee Sun

Diffusion models (DMs) are a class of generative machine learning methods that sample a target distribution by transforming samples of a trivial (often Gaussian) distribution using a learned stochastic differential equation. In standard…

Statistical Mechanics · Physics 2024-08-15 Luke Causer , Grant M. Rotskoff , Juan P. Garrahan

We introduce a new type of graphical model that we call a "memory factor network" (MFN). We show how to use MFNs to model the structure inherent in many types of data sets. We also introduce an associated message-passing style algorithm…

Artificial Intelligence · Computer Science 2016-01-19 Patrick Eschenfeldt , Dan Schmidt , Stark Draper , Jonathan Yedidia

Deep neural networks (DNNs) have been widely applied to solve real-world regression problems. However, selecting optimal network structures remains a significant challenge. This study addresses this issue by linking neuron selection in DNNs…

Computation · Statistics 2025-09-30 Noah Yi-Ting Hung , Li-Hsiang Lin , Vince D. Calhoun

Graphs are the most ubiquitous data structures for representing relational datasets and performing inferences in them. They model, however, only pairwise relations between nodes and are not designed for encoding the higher-order relations.…

Machine Learning · Computer Science 2021-09-23 Devanshu Arya , Deepak K. Gupta , Stevan Rudinac , Marcel Worring

This paper presents a machine learning strategy that tackles a distributed optimization task in a wireless network with an arbitrary number of randomly interconnected nodes. Individual nodes decide their optimal states with distributed…

Information Theory · Computer Science 2021-06-16 Hoon Lee , Sang Hyun Lee , Tony Q. S. Quek

Domain decomposition methods (DDMs) are popular solvers for discretized systems of partial differential equations (PDEs), with one-level and multilevel variants. These solvers rely on several algorithmic and mathematical parameters,…

Machine Learning · Computer Science 2023-03-03 Ali Taghibakhshi , Nicolas Nytko , Tareq Uz Zaman , Scott MacLachlan , Luke Olson , Matthew West

A common problem in Message-Passing Neural Networks is oversquashing -- the limited ability to facilitate effective information flow between distant nodes. Oversquashing is attributed to the exponential decay in information transmission as…

Machine Learning · Computer Science 2025-03-03 Alessio Gravina , Moshe Eliasof , Claudio Gallicchio , Davide Bacciu , Carola-Bibiane Schönlieb

Generative diffusion models, famous for their performance in image generation, are popular in various cross-domain applications. However, their use in the communication community has been mostly limited to auxiliary tasks like data modeling…

Networking and Internet Architecture · Computer Science 2025-03-11 Ruihuai Liang , Bo Yang , Zhiwen Yu , Bin Guo , Xuelin Cao , Mérouane Debbah , H. Vincent Poor , Chau Yuen

Graph neural networks (GNNs) are a type of deep learning models that are trained on graphs and have been successfully applied in various domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to…

Machine Learning · Computer Science 2023-08-28 Yingxia Shao , Hongzheng Li , Xizhi Gu , Hongbo Yin , Yawen Li , Xupeng Miao , Wentao Zhang , Bin Cui , Lei Chen

Most graph-network-based meta-learning approaches model instance-level relation of examples. We extend this idea further to explicitly model the distribution-level relation of one example to all other examples in a 1-vs-N manner. We propose…

Computer Vision and Pattern Recognition · Computer Science 2020-04-02 Ling Yang , Liangliang Li , Zilun Zhang , Xinyu Zhou , Erjin Zhou , Yu Liu

We present Graph Neural Diffusion (GRAND) that approaches deep learning on graphs as a continuous diffusion process and treats Graph Neural Networks (GNNs) as discretisations of an underlying PDE. In our model, the layer structure and…

Epidemic processes are common out-of-equilibrium phenomena of broad interdisciplinary interest. Recently, dynamic message-passing (DMP) has been proposed as an efficient algorithm for simulating epidemic models on networks, and in…

Physics and Society · Physics 2015-09-30 Munik Shrestha , Samuel V. Scarpino , Cristopher Moore

Signal processing, communications, and control have traditionally relied on classical statistical modeling techniques. Such model-based methods utilize mathematical formulations that represent the underlying physics, prior information and…

Signal Processing · Electrical Eng. & Systems 2022-09-13 Nir Shlezinger , Jay Whang , Yonina C. Eldar , Alexandros G. Dimakis

High-order Graph Neural Networks (HO-GNNs) have been developed to infer consistent latent spaces in the heterophilic regime, where the label distribution is not correlated with the graph structure. However, most of the existing HO-GNNs are…

Machine Learning · Computer Science 2023-06-30 Ahmed Begga , Francisco Escolano , Miguel Angel Lozano , Edwin R. Hancock

Influence maximization is key topic in data mining, with broad applications in social network analysis and viral marketing. In recent years, researchers have increasingly turned to machine learning techniques to address this problem. They…

Machine Learning · Computer Science 2024-12-18 Asela Hevapathige , Qing Wang , Ahad N. Zehmakan

Generative modeling of graphs with spatial structure is essential across many applications from computer graphics to spatial genomics. Recent flow-based generative models have achieved impressive results by gradually adding and then…

Machine Learning · Computer Science 2025-07-15 Peter Pao-Huang , Mitchell Black , Xiaojie Qiu

This paper studies the problem of learning message propagation strategies for graph neural networks (GNNs). One of the challenges for graph neural networks is that of defining the propagation strategy. For instance, the choices of…

Machine Learning · Computer Science 2023-10-03 Teng Xiao , Zhengyu Chen , Donglin Wang , Suhang Wang
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