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Graph diffusion models have recently been proposed to synthesize entire graphs, such as molecule graphs. Although existing methods have shown great performance in generating entire graphs for graph-level learning tasks, no graph diffusion…

Machine Learning · Computer Science 2025-03-18 Yancheng Wang , Changyu Liu , Yingzhen Yang

Graph Neural Networks (GNNs) are proposed without considering the agnostic distribution shifts between training and testing graphs, inducing the degeneration of the generalization ability of GNNs on Out-Of-Distribution (OOD) settings. The…

Machine Learning · Computer Science 2024-03-12 Shaohua Fan , Xiao Wang , Chuan Shi , Peng Cui , Bai Wang

Graph partitioning is the problem of dividing the nodes of a graph into balanced partitions while minimizing the edge cut across the partitions. Due to its combinatorial nature, many approximate solutions have been developed, including…

Machine Learning · Computer Science 2019-03-05 Azade Nazi , Will Hang , Anna Goldie , Sujith Ravi , Azalia Mirhoseini

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…

Deploying Convolutional Neural Networks (CNNs) on edge platforms necessitates efficient hardware acceleration. Any unnecessary data movement in such accelerators can unacceptably degrade performance and efficiency. To address this, we…

Hardware Architecture · Computer Science 2023-11-22 Mark Horeni , Siddharth Joshi

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

Machine Learning · Computer Science 2023-08-21 Maciej Besta , Torsten Hoefler

Integration and analysis of multi-omics data provide valuable insights for improving cancer subtype classification. However, such data are inherently heterogeneous, high-dimensional, and exhibit complex intra- and inter-modality…

Quantitative Methods · Quantitative Biology 2026-02-13 Tiantian Yang , Zhiqian Chen

Graph neural networks (GNNs) have proven their efficacy in a variety of real-world applications, but their underlying mechanisms remain a mystery. To address this challenge and enable reliable decision-making, many GNN explainers have been…

Machine Learning · Computer Science 2023-10-12 Yiqiao Li , Jianlong Zhou , Yifei Dong , Niusha Shafiabady , Fang Chen

Graph-structured data is ubiquitous in the real world, and Graph Neural Networks (GNNs) have become increasingly popular in various fields due to their ability to process such irregular data directly. However, as data scale, GNNs become…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-10 Xianfeng Song , Yi Zou , Zheng Shi

The growing adoption of Graph Neural Networks (GNNs) in high-stakes domains like healthcare and finance demands reliable explanations of their decision-making processes. While inherently interpretable GNN architectures like Graph…

Machine Learning · Computer Science 2025-05-27 Rishabh Bhattacharya , Hari Shankar , Vaishnavi Shivkumar , Ponnurangam Kumaraguru

This paper presents a novel approach to neural network pruning by integrating a graph-based observation space into an AutoML framework to address the limitations of existing methods. Traditional pruning approaches often depend on…

Machine Learning · Computer Science 2025-09-16 Dieter Balemans , Thomas Huybrechts , Jan Steckel , Siegfried Mercelis

Robust network design, which aims to guarantee network availability under various failure scenarios while optimizing performance/cost objectives, has received significant attention. Existing approaches often rely on model-based…

Networking and Internet Architecture · Computer Science 2024-03-20 Chenyi Liu , Vaneet Aggarwal , Tian Lan , Nan Geng , Yuan Yang , Mingwei Xu , Qing Li

Recently, Graph Neural Networks (GNNs) have significantly advanced the performance of machine learning tasks on graphs. However, this technological breakthrough makes people wonder: how does a GNN make such decisions, and can we trust its…

Machine Learning · Computer Science 2024-02-26 Xiaoqi Wang , Han-Wei Shen

In recent years graph neural network (GNN)-based approaches have become a popular strategy for processing point cloud data, regularly achieving state-of-the-art performance on a variety of tasks. To date, the research community has…

Computer Vision and Pattern Recognition · Computer Science 2021-08-19 Shyam A. Tailor , René de Jong , Tiago Azevedo , Matthew Mattina , Partha Maji

Graph Neural Networks (GNNs) are powerful models that can manage complex data sources and their interconnection links. One of GNNs' main drawbacks is their lack of interpretability, which limits their application in sensitive fields. In…

Machine Learning · Computer Science 2026-03-24 Salvatore Calderaro , Domenico Amato , Giosuè Lo Bosco , Riccardo Rizzo , Filippo Vella

Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

Machine Learning · Computer Science 2025-07-08 Manasa Kaniselvan , Alexander Maeder , Chen Hao Xia , Alexandros Nikolaos Ziogas , Mathieu Luisier

Graph Neural Networks (GNNs) have shown significant promise in various domains, such as recommendation systems, bioinformatics, and network analysis. However, the irregularity of graph data poses unique challenges for efficient computation,…

Machine Learning · Computer Science 2024-11-26 Pol Puigdemont , Enrico Russo , Axel Wassington , Abhijit Das , Sergi Abadal , Maurizio Palesi

Graph neural networks (GNNs) have delivered remarkable results in various fields. However, the rapid increase in the scale of graph data has introduced significant performance bottlenecks for GNN inference. Both computational complexity and…

Machine Learning · Computer Science 2025-03-11 Xiabao Wu , Yongchao Liu , Wei Qin , Chuntao Hong

Currently, Deep Learning (DL) components within a Case-Based Reasoning (CBR) application often lack the comprehensive integration of available domain knowledge. The trend within machine learning towards so-called Informed machine learning…

Artificial Intelligence · Computer Science 2021-07-01 Maximilian Hoffmann , Ralph Bergmann

To enhance the reliability and credibility of graph neural networks (GNNs) and improve the transparency of their decision logic, a new field of explainability of GNNs (XGNN) has emerged. However, two major limitations severely degrade the…

Machine Learning · Computer Science 2025-05-26 Han Zhang , Yan Wang , Guanfeng Liu , Pengfei Ding , Huaxiong Wang , Kwok-Yan Lam