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Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

Machine Learning · Computer Science 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani

Deep generative models for graphs have shown great promise in the area of drug design, but have so far found little application beyond generating graph-structured molecules. In this work, we demonstrate a proof of concept for the…

Machine Learning · Computer Science 2019-11-01 Davide Belli , Thomas Kipf

Distributed Graph Neural Network (GNN) training suffers from substantial communication overhead due to the inherent neighborhood dependency in graph-structured data. This neighbor explosion problem requires workers to frequently exchange…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-27 Zizhao Zhang , Yihan Xue , Haotian Zhu , Sijia Li , Zhijun Wang , Yujie Xiao

Graph convolution network (GCN) attracts intensive research interest with broad applications. While existing work mainly focused on designing novel GCN architectures for better performance, few of them studied a practical yet challenging…

Machine Learning · Computer Science 2020-10-16 Xiaoming Liu , Qirui Li , Chao Shen , Xi Peng , Yadong Zhou , Xiaohong Guan

Data assimilation for parameter and state estimation in subsurface transport problems remains a significant challenge due to the sparsity of measurements, the heterogeneity of porous media, and the high computational cost of forward…

Machine Learning · Computer Science 2020-06-24 QiZhi He , David Brajas-Solano , Guzel Tartakovsky , Alexandre M. Tartakovsky

Graph neural networks (GNNs) have been widely adopted in engineering applications such as social network analysis, chemical research and computer vision. However, their efficacy is severely compromised by the inherent homophily assumption,…

Machine Learning · Computer Science 2026-04-13 Yi Luo , Xu Sun , Guangchun Luo , Aiguo Chen

Pavement infrastructure monitoring is challenged by complex spatial dependencies, changing environmental conditions, and non-linear deterioration across road networks. Traditional Pavement Management Systems (PMS) remain largely reactive,…

Machine Learning · Computer Science 2025-11-06 Mohsin Mahmud Topu , Mahfuz Ahmed Anik , Azmine Toushik Wasi , Md Manjurul Ahsan

Generative Flow Networks (GFlowNets) are a family of probabilistic generative models that learn to sample compositional objects proportional to their rewards. One big challenge of GFlowNets is training them effectively when dealing with…

Machine Learning · Computer Science 2025-06-16 Zarif Ikram , Ling Pan , Dianbo Liu

As the demand for user privacy grows, controlled data removal (machine unlearning) is becoming an important feature of machine learning models for data-sensitive Web applications such as social networks and recommender systems.…

Machine Learning · Computer Science 2023-07-04 Chao Pan , Eli Chien , Olgica Milenkovic

Background: Windowed Fourier decompositions (WFD) are widely used in measuring stationary and non-stationary spectral phenomena and in describing pairwise relationships among multiple signals. Although a variety of WFDs see frequent…

Quantitative Methods · Quantitative Biology 2019-01-30 Christopher K. Kovach , Phillip E. Gander

Knowing the pressure at all times in each node of a water distribution system (WDS) facilitates safe and efficient operation. Yet, complete measurement data cannot be collected due to the limited number of instruments in a real-life WDS.…

Machine Learning · Computer Science 2021-11-09 Gergely Hajgató , Bálint Gyires-Tóth , György Paál

The growing complexity of wireless systems has accelerated the move from traditional methods to learning-based solutions. Graph Neural Networks (GNNs) are especially well-suited here, since wireless networks can be naturally represented as…

Signal Processing · Electrical Eng. & Systems 2025-10-02 Romina Garcia Camargo , Zhiyang Wang , Alejandro Ribeiro

Obtaining system parameters and reconstructing the full flow state from limited velocity observations using conventional fluid dynamics solvers can be prohibitively expensive. Here we employ machine learning algorithms to overcome the…

Fluid Dynamics · Physics 2024-10-17 Vladimir Parfenyev , Mark Blumenau , Ilia Nikitin

Graph Neural Networks (GNNs) face two fundamental challenges when scaled to deep architectures: oversmoothing, where node representations converge to indistinguishable vectors, and oversquashing, where information from distant nodes fails…

Machine Learning · Computer Science 2026-03-30 Mostafa Haghir Chehreghani

Graph Neural Networks (GNNs) have demonstrated effectiveness in collaborative filtering tasks due to their ability to extract powerful structural features. However, combining the graph features extracted from user-item interactions and…

Information Retrieval · Computer Science 2024-08-13 Jiafeng Xia , Dongsheng Li , Hansu Gu , Tun Lu , Ning Gu

With the increasing demands of training graph neural networks (GNNs) on large-scale graphs, graph data condensation has emerged as a critical technique to relieve the storage and time costs during the training phase. It aims to condense the…

Machine Learning · Computer Science 2024-06-10 Zhanyu Liu , Chaolv Zeng , Guanjie Zheng

Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…

Machine Learning · Computer Science 2025-02-05 Jianming Huang , Hiroyuki Kasai

Graphs are central to modeling complex systems in domains such as social networks, molecular chemistry, and neuroscience. While Graph Neural Networks, particularly Graph Convolutional Networks, have become standard tools for graph learning,…

Machine Learning · Computer Science 2025-11-03 Angelica Liguori , Ettore Ritacco , Pietro Sabatino , Annalisa Socievole

Fifth-generation (5G) core networks in network digital twins (NDTs) are complex systems with numerous components, generating considerable data. Analyzing these data can be challenging due to rare failure types, leading to imbalanced classes…

Machine Learning · Computer Science 2024-06-12 Abubakar Isah , Ibrahim Aliyu , Jaechan Shim , Hoyong Ryu , Jinsul Kim

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in tackling a wide array of graph-related tasks across diverse domains. However, a significant challenge lies in their propensity to generate biased predictions,…

Machine Learning · Computer Science 2025-01-03 Abdullah Alchihabi , Yuhong Guo