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Deep neural networks (DNNs) are widely used as surrogate models in geophysical applications; incorporating theoretical guidance into DNNs has improved the generalizability. However, most of such approaches define the loss function based on…

Machine Learning · Computer Science 2021-09-28 Rui Xu , Dongxiao Zhang , Miao Rong , Nanzhe Wang

Graph neural network (GNN) is a popular tool to learn the lower-dimensional representation of a graph. It facilitates the applicability of machine learning tasks on graphs by incorporating domain-specific features. There are various options…

Machine Learning · Computer Science 2020-08-21 Md. Khaledur Rahman

Neural networks are trained by optimizing multi-dimensional sets of fitting parameters on non-convex loss landscapes. Low-loss regions of the landscapes correspond to the parameter sets that perform well on the training data. A key issue in…

Machine Learning · Computer Science 2026-02-26 Jianneng Yu , Alexandre V. Morozov

In recent years, Graph Convolutional Networks (GCNs) have achieved great success in learning from graph-structured data. With the growing tendency of graph nodes and edges, GCN training by single processor cannot meet the demand for time…

Machine Learning · Computer Science 2021-10-08 Taige Zhao , Xiangyu Song , Jianxin Li , Wei Luo , Imran Razzak

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

Machine Learning · Computer Science 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan

This work introduces a new approach for accelerating the numerical analysis of time-domain partial differential equations (PDEs) governing complex physical systems. The methodology is based on a combination of a classical reduced-order…

Machine Learning · Computer Science 2024-06-06 Victor Matray , Faisal Amlani , Frédéric Feyel , David Néron

State-of-the-art training algorithms for deep learning models are based on stochastic gradient descent (SGD). Recently, many variations have been explored: perturbing parameters for better accuracy (such as in Extragradient), limiting SGD…

Machine Learning · Computer Science 2022-03-23 Amirkeivan Mohtashami , Martin Jaggi , Sebastian U. Stich

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

Machine Learning · Computer Science 2026-01-21 Salvatore Romano , Marco Grassia , Giuseppe Mangioni

Graph neural networks (GNNs) are powerful tools for solving graph-related problems. Distributed GNN frameworks and systems enhance the scalability of GNNs and accelerate model training, yet most are optimized for node classification. Their…

Machine Learning · Computer Science 2025-06-27 Xin Huang , Chul-Ho Lee

Although graph neural networks (GNNs) have made great progress recently on learning from graph-structured data in practice, their theoretical guarantee on generalizability remains elusive in the literature. In this paper, we provide a…

Machine Learning · Computer Science 2020-06-26 Shuai Zhang , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

While deep learning algorithms demonstrate a great potential in scientific computing, its application to multi-scale problems remains to be a big challenge. This is manifested by the "frequency principle" that neural networks tend to learn…

Machine Learning · Computer Science 2021-12-17 Xi-An Li , Zhi-Qin John Xu , Lei Zhang

Despite the recent success of Graph Neural Networks (GNNs), training GNNs on large graphs remains challenging. The limited resource capacities of the existing servers, the dependency between nodes in a graph, and the privacy concern due to…

Machine Learning · Computer Science 2022-03-15 Morteza Ramezani , Weilin Cong , Mehrdad Mahdavi , Mahmut T. Kandemir , Anand Sivasubramaniam

Graph neural networks (GNNs), which learn the representation of a node by aggregating its neighbors, have become an effective computational tool in downstream applications. Over-smoothing is one of the key issues which limit the performance…

Machine Learning · Computer Science 2020-06-15 Kaixiong Zhou , Xiao Huang , Yuening Li , Daochen Zha , Rui Chen , Xia Hu

Rule-based fine-grained IP geolocation methods are hard to generalize in computer networks which do not follow hypothetical rules. Recently, deep learning methods, like multi-layer perceptron (MLP), are tried to increase generalization…

Machine Learning · Computer Science 2023-04-18 Shichang Ding , Xiangyang Luo , Jinwei Wang , Xiaoming Fu

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-30 Haiyang Lin , Mingyu Yan , Xiaochun Ye , Dongrui Fan , Shirui Pan , Wenguang Chen , Yuan Xie

We propose an abstract discontinuous Galerkin neural network (DGNN) framework for analyzing the convergence of least-squares methods based on the residual minimization when feasible solutions are neural networks. Within this framework, we…

Numerical Analysis · Mathematics 2025-11-11 Long Yuan , Hongxing Rui

This paper considers decentralized optimization with application to machine learning on graphs. The growing size of neural network (NN) models has motivated prior works on decentralized stochastic gradient algorithms to incorporate…

Optimization and Control · Mathematics 2021-10-12 Arjun Ashok Rao , Hoi-To Wai

Thanks to graph neural networks (GNNs), semi-supervised node classification has shown the state-of-the-art performance in graph data. However, GNNs have not considered different types of uncertainties associated with class probabilities to…

Machine Learning · Computer Science 2020-11-26 Xujiang Zhao , Feng Chen , Shu Hu , Jin-Hee Cho

Prediction of taxi service demand and supply is essential for improving customer's experience and provider's profit. Recently, graph neural networks (GNNs) have been shown promising for this application. This approach models city regions as…

Machine Learning · Computer Science 2023-04-07 Mahmoud Nazzal , Abdallah Khreishah , Joyoung Lee , Shaahin Angizi , Ala Al-Fuqaha , Mohsen Guizani

Deep learning models have been shown to outperform methods that rely on summary statistics, like the power spectrum, in extracting information from complex cosmological data sets. However, due to differences in the subgrid physics…

Cosmology and Nongalactic Astrophysics · Physics 2024-04-16 Andrea Roncoli , Aleksandra Ćiprijanović , Maggie Voetberg , Francisco Villaescusa-Navarro , Brian Nord