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We address the efficiency issue for the construction of a deep graph neural network (GNN). The approach exploits the idea of representing each input graph as a fixed point of a dynamical system (implemented through a recurrent neural…

Machine Learning · Computer Science 2019-11-21 Claudio Gallicchio , Alessio Micheli

Graph Neural Networks (GNNs) have achieved remarkable performance in a wide range of graph-related learning tasks. However, explaining their predictions remains a challenging problem, especially due to the mismatch between the graphs used…

Machine Learning · Computer Science 2025-08-05 Zhuomin Chen , Jingchao Ni , Hojat Allah Salehi , Xu Zheng , Dongsheng Luo

Clinical time series are often irregularly sampled, with varying sensor frequencies, missing observations, and misaligned timestamps. Prior approaches typically address these irregularities by interpolating data into regular sequences,…

Machine Learning · Computer Science 2025-12-18 Arash Hajisafi , Maria Despoina Siampou , Bita Azarijoo , Zhen Xiong , Cyrus Shahabi

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

Gas-particle flows are commonly simulated through two-fluid model at industrial-scale. However, these simulations need very fine grid to have accurate flow predictions, which is prohibitively demanding in terms of computational resources.…

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

Machine Learning · Computer Science 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

Flood models inform strategic disaster management by simulating the spatiotemporal hydrodynamics of flooding. While physics-based numerical flood models are accurate, their substantial computational cost limits their use in operational…

In this study, we introduce a domain-decomposition-based distributed training and inference approach for message-passing neural networks (MPNN). Our objective is to address the challenge of scaling edge-based graph neural networks as the…

Machine Learning · Computer Science 2025-02-20 Priyesh Kakka , Sheel Nidhan , Rishikesh Ranade , Jay Pathak , Jonathan F. MacArt

Graph neural network (GNN) pre-training methods have been proposed to enhance the power of GNNs. Specifically, a GNN is first pre-trained on a large-scale unlabeled graph and then fine-tuned on a separate small labeled graph for downstream…

Machine Learning · Computer Science 2022-09-16 Simiao Zuo , Haoming Jiang , Qingyu Yin , Xianfeng Tang , Bing Yin , Tuo Zhao

We propose a novel class of neural network-like parametrized functions, i.e., general transformation neural networks (GTNNs), for high-dimensional approximation. Conventional deep neural networks sometimes perform less accurately on…

Numerical Analysis · Mathematics 2026-02-25 Xiaoyang Wang , Yiqi Gu

Distributed training of GNNs enables learning on massive graphs (e.g., social and e-commerce networks) that exceed the storage and computational capacity of a single machine. To reach performance comparable to centralized training,…

Machine Learning · Computer Science 2023-05-18 Jiong Zhu , Aishwarya Reganti , Edward Huang , Charles Dickens , Nikhil Rao , Karthik Subbian , Danai Koutra

Learning precoding policies with neural networks enables low complexity online implementation, robustness to channel impairments, and joint optimization with channel acquisition. However, existing neural networks suffer from high training…

Signal Processing · Electrical Eng. & Systems 2022-12-05 Jia Guo , Chenyang Yang

Graph neural networks (GNNs) are widely used for learning on graph datasets derived from various real-world scenarios. Learning from extremely large graphs requires distributed training, and mini-batching with sampling is a popular approach…

Signed Graph Neural Networks (SGNNs) are effective in learning expressive representations for signed graphs but typically require substantial task-specific labels, limiting their applicability in label-scarce industrial scenarios. In…

Machine Learning · Computer Science 2025-08-19 Zian Zhai , Sima Qing , Xiaoyang Wang , Wenjie Zhang

Graphene nanoribbons (GNRs) are atomically precise stripes of graphene with tunable electronic properties, making them promising for room-temperature switching applications like field-effect transistors (FETs). However, challenges persist…

Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise…

Machine Learning · Computer Science 2021-09-03 Ming Chen , Zhewei Wei , Bolin Ding , Yaliang Li , Ye Yuan , Xiaoyong Du , Ji-Rong Wen

Despite their widespread use, purely data-driven methods often suffer from overfitting, lack of physical consistency, and high data dependency, particularly when physical constraints are not incorporated. This study introduces a novel data…

Fluid Dynamics · Physics 2025-07-28 M. Quattromini , M. A. Bucci , S. Cherubini , O. Semeraro

3D Gaussian Splatting (3DGS) has demonstrated impressive novel view synthesis performance. While conventional methods require per-scene optimization, more recently several feed-forward methods have been proposed to generate pixel-aligned…

Computer Vision and Pattern Recognition · Computer Science 2025-03-21 Shengjun Zhang , Xin Fei , Fangfu Liu , Haixu Song , Yueqi Duan

Graph neural networks (GNN) have recently emerged as a vehicle for applying deep network architectures to graph and relational data. However, given the increasing size of industrial datasets, in many practical situations the message passing…

Machine Learning · Computer Science 2021-11-16 Qingru Zhang , David Wipf , Quan Gan , Le Song

Graph neural networks (GNNs) are naturally distributed architectures for learning representations from network data. This renders them suitable candidates for decentralized tasks. In these scenarios, the underlying graph often changes with…

Machine Learning · Computer Science 2022-08-31 Zhan Gao , Fernando Gama , Alejandro Ribeiro