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We propose a novel method to explain trained deep neural networks (DNNs), by distilling them into surrogate models using unsupervised clustering. Our method can be applied flexibly to any subset of layers of a DNN architecture and can…

Computer Vision and Pattern Recognition · Computer Science 2020-07-17 Yu-han Liu , Sercan O. Arik

Graph neural networks (GNNs) have been widely used for representation learning on graph data. However, there is limited understanding on how much performance GNNs actually gain from graph data. This paper introduces a context-surrounding…

Machine Learning · Computer Science 2022-06-28 Yifan Hou , Jian Zhang , James Cheng , Kaili Ma , Richard T. B. Ma , Hongzhi Chen , Ming-Chang Yang

Optimization over trained machine learning models has applications including: verification, minimizing neural acquisition functions, and integrating a trained surrogate into a larger decision-making problem. This paper formulates and solves…

Optimization and Control · Mathematics 2023-10-13 Shiqiang Zhang , Juan S. Campos , Christian Feldmann , David Walz , Frederik Sandfort , Miriam Mathea , Calvin Tsay , Ruth Misener

Graph Neural Networks (GNNs) have shown success in learning from graph-structured data, with applications to fraud detection, recommendation, and knowledge graph reasoning. However, training GNN efficiently is challenging because: 1) GPU…

Machine Learning · Computer Science 2021-11-12 Seung Won Min , Kun Wu , Mert Hidayetoğlu , Jinjun Xiong , Xiang Song , Wen-mei Hwu

Graph Neural Networks (GNNs) show strong expressive power on graph data mining, by aggregating information from neighbors and using the integrated representation in the downstream tasks. The same aggregation methods and parameters for each…

Machine Learning · Computer Science 2022-03-22 Xiaojun Ma , Qin Chen , Yuanyi Ren , Guojie Song , Liang Wang

Semi-supervised node classification on graphs is an important research problem, with many real-world applications in information retrieval such as content classification on a social network and query intent classification on an e-commerce…

Machine Learning · Computer Science 2022-03-29 Zhihao Wen , Yuan Fang , Zemin Liu

Machine learning (ML) has been increasingly applied in concrete research to optimize performance and mixture design. However, one major challenge in applying ML to cementitious materials is the limited size and diversity of available…

Computational Engineering, Finance, and Science · Computer Science 2025-12-18 Mahmuda Sharmin , Taihao Han , Jie Huang , Narayanan Neithalath , Gaurav Sant , Aditya Kumar

Graph clustering is a fundamental task in graph analysis, and recent advances in utilizing graph neural networks (GNNs) have shown impressive results. Despite the success of existing GNN-based graph clustering methods, they often overlook…

Machine Learning · Computer Science 2023-10-31 Ming Gu , Gaoming Yang , Sheng Zhou , Ning Ma , Jiawei Chen , Qiaoyu Tan , Meihan Liu , Jiajun Bu

Graph Neural Networks (GNNs) have demonstrated significant achievements in processing graph data, yet scalability remains a substantial challenge. To address this, numerous graph coarsening methods have been developed. However, most…

Machine Learning · Computer Science 2024-12-19 Shuyin Xia , Xinjun Ma , Zhiyuan Liu , Cheng Liu , Sen Zhao , Guoyin Wang

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…

Machine Learning · Computer Science 2026-01-19 Lukas Pertl , Han Xuanyuan , Pietro Liò

Despite the celebrated popularity of Graph Neural Networks (GNNs) across numerous applications, the ability of GNNs to generalize remains less explored. In this work, we propose to study the generalization of GNNs through a novel…

Machine Learning · Computer Science 2024-04-17 Shouheng Li , Dongwoo Kim , Qing Wang

Most existing semi-supervised graph-based clustering methods exploit the supervisory information by either refining the affinity matrix or directly constraining the low-dimensional representations of data points. The affinity matrix…

Machine Learning · Computer Science 2022-09-07 Huaming Ling , Chenglong Bao , Xin Liang , Zuoqiang Shi

Graph Neural Networks (GNNs) excel in various graph learning tasks but face computational challenges when applied to large-scale graphs. A promising solution is to remove non-essential edges to reduce the computational overheads in GNN.…

Machine Learning · Computer Science 2024-02-05 Guibin Zhang , Yanwei Yue , Kun Wang , Junfeng Fang , Yongduo Sui , Kai Wang , Yuxuan Liang , Dawei Cheng , Shirui Pan , Tianlong Chen

Graph neural networks (GNNs) are powerful models that have been successful in various graph representation learning tasks. Whereas gradient boosted decision trees (GBDT) often outperform other machine learning methods when faced with…

Machine Learning · Computer Science 2021-04-01 Sergei Ivanov , Liudmila Prokhorenkova

In recent years, Graph Neural Networks (GNNs) have shown superior performance on diverse real-world applications. To improve the model capacity, besides designing aggregation operations, GNN topology design is also very important. In…

Machine Learning · Computer Science 2022-02-02 Lanning Wei , Huan Zhao , Zhiqiang He

There is a growing interest in designing Graph Neural Networks (GNNs) for seeded graph matching, which aims to match two unlabeled graphs using only topological information and a small set of seed nodes. However, most previous GNNs for this…

Machine Learning · Computer Science 2023-07-11 Liren Yu , Jiaming Xu , Xiaojun Lin

Are Graph Neural Networks (GNNs) fair? In many real world graphs, the formation of edges is related to certain node attributes (e.g. gender, community, reputation). In this case, standard GNNs using these edges will be biased by this…

Machine Learning · Computer Science 2020-02-26 John Palowitch , Bryan Perozzi

Community detection in graphs is crucial for understanding the organization of nodes into densely connected clusters. While numerous strategies have been developed to identify these clusters, the success of community detection can lead to…

Social and Information Networks · Computer Science 2025-09-03 Junyuan Fang , Huimin Liu , Yueqi Peng , Jiajing Wu , Zibin Zheng , Chi K. Tse

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Graph Neural Networks (GNNs) have gained popularity in various learning tasks, with successful applications in fields like molecular biology, transportation systems, and electrical grids. These fields naturally use graph data, benefiting…

Machine Learning · Computer Science 2024-09-23 Caio F. Deberaldini Netto , Zhiyang Wang , Luana Ruiz