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Graph neural networks (GNNs) are powerful tools for conducting inference on graph data but are often seen as "black boxes" due to difficulty in extracting meaningful subnetworks driving predictive performance. Many interpretable GNN methods…

机器学习 · 统计学 2024-12-17 Whitney Sloneker , Shalin Patel , Michael Wang , Lorin Crawford , Ritambhara Singh

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…

机器学习 · 计算机科学 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

Gaussian boson sampling (GBS) is a near-term quantum computation framework that is believed to be classically intractable, but yet rich of potential applications. In this paper we study the intimate relation between distributions defined…

量子物理 · 物理学 2019-10-10 Kamil Bradler , Robert Israel , Maria Schuld , Daiqin Su

Recently, techniques for applying convolutional neural networks to graph-structured data have emerged. Graph convolutional neural networks (GCNNs) have been used to address node and graph classification and matrix completion. Although the…

机器学习 · 统计学 2018-11-28 Yingxue Zhang , Soumyasundar Pal , Mark Coates , Deniz Üstebay

Graph Neural Networks (GNNs) have demonstrated strong representation learning capabilities for graph-based tasks. Recent advances on GNNs leverage geometric properties, such as curvature, to enhance its representation capabilities by…

机器学习 · 计算机科学 2025-03-04 Asela Hevapathige , Ahad N. Zehmakan , Qing Wang

Graph neural networks (GNN) represent an emerging line of deep learning models that operate on graph structures. It is becoming more and more popular due to its high accuracy achieved in many graph-related tasks. However, GNN is not as well…

硬件体系结构 · 计算机科学 2021-12-28 Zhihui Zhang , Jingwen Leng , Lingxiao Ma , Youshan Miao , Chao Li , Minyi Guo

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…

机器学习 · 计算机科学 2020-08-21 Md. Khaledur Rahman

Graph-structured data consisting of objects (i.e., nodes) and relationships among objects (i.e., edges) are ubiquitous. Graph-level learning is a matter of studying a collection of graphs instead of a single graph. Traditional graph-level…

机器学习 · 计算机科学 2022-06-01 Ge Zhang , Jia Wu , Jian Yang , Shan Xue , Wenbin Hu , Chuan Zhou , Hao Peng , Quan Z. Sheng , Charu Aggarwal

The difficult problem of relating the static structure of glassy liquids and their dynamics is a good target for Machine Learning, an approach which excels at finding complex patterns hidden in data. Indeed, this approach is currently a hot…

软凝聚态物质 · 物理学 2024-05-29 Francesco Saverio Pezzicoli , Guillaume Charpiat , François P. Landes

Graph Neural Networks (GNNs) are gaining extensive attention for their application in graph data. However, the black-box nature of GNNs prevents users from understanding and trusting the models, thus hampering their applicability. Whereas…

机器学习 · 计算机科学 2023-05-23 Qizhang Feng , Ninghao Liu , Fan Yang , Ruixiang Tang , Mengnan Du , Xia Hu

Like Graph Neural Networks (GNNs), Signed Graph Neural Networks (SGNNs) are also up against fairness issues from source data and typical aggregation method. In this paper, we are pioneering to make the investigation of fairness in SGNNs…

机器学习 · 计算机科学 2024-08-19 Fang He , Jinhai Deng , Ruizhan Xue , Maojun Wang , Zeyu Zhang

Deep learning has shown promising results in many machine learning applications. The hierarchical feature representation built by deep networks enable compact and precise encoding of the data. A kernel analysis of the trained deep networks…

机器学习 · 计算机科学 2017-03-22 Mandar Kulkarni , Shirish Karande

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

机器学习 · 计算机科学 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Graph Neural Networks (GNNs) have emerged as a dominant approach in graph representation learning, yet they often struggle to capture consistent similarity relationships among graphs. While graph kernel methods such as the Weisfeiler-Lehman…

机器学习 · 计算机科学 2024-12-12 Xuyuan Liu , Yinghao Cai , Qihui Yang , Yujun Yan

Interpreting graph neural networks (GNNs) is difficult because message passing mixes signals and internal channels rarely align with human concepts. We study superposition, the sharing of directions by multiple features, directly in the…

机器学习 · 计算机科学 2026-01-19 Lukas Pertl , Han Xuanyuan , Pietro Liò

Learning informative representations of data is one of the primary goals of deep learning, but there is still little understanding as to what representations a neural network actually learns. To better understand this, subspace match was…

机器学习 · 计算机科学 2019-01-07 Jeremiah Johnson

Graph Neural Networks (GNNs) have emerged as a promising tool to handle data exhibiting an irregular structure. However, most GNN architectures perform well on homophilic datasets, where the labels of neighboring nodes are likely to be the…

机器学习 · 计算机科学 2024-12-03 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

Graph are a ubiquitous data representation, as they represent a flexible and compact representation. For instance, the 3D structure of RNA can be efficiently represented as $\textit{2.5D graphs}$, graphs whose nodes are nucleotides and…

机器学习 · 计算机科学 2021-09-21 Vincent Mallet , Carlos G. Oliver , William L. Hamilton

Deep Neural Networks (DNNs) have emerged as a core tool for machine learning. The computations performed during DNN training and inference are dominated by operations on the weight matrices describing the DNN. As DNNs incorporate more…

分布式、并行与集群计算 · 计算机科学 2018-03-06 Jeremy Kepner , Manoj Kumar , José Moreira , Pratap Pattnaik , Mauricio Serrano , Henry Tufo

Similarity graphs are an active research direction for the nearest neighbor search (NNS) problem. New algorithms for similarity graph construction are continuously being proposed and analyzed by both theoreticians and practitioners.…

机器学习 · 计算机科学 2020-02-14 Dmitry Baranchuk , Artem Babenko