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Publications

MMD Graph Kernel: Effective Metric Learning for Graphs via Maximum Mean Discrepancy

Yan Sun, Jicong Fan*

Published in ICLR  2024 (splotlight: top-5%)

This paper focuses on graph metric learning. First, we present a class of maximum mean discrepancy (MMD) based graph kernels, called MMD-GK. These kernels are computed by applying MMD to the node representations of two graphs with message-passing propagation. Secondly, we provide a class of deep MMD-GKs that are able to learn graph kernels and implicit graph features adaptively in an unsupervised manner. Thirdly, we propose a class of supervised deep MMD-GKs that are able to utilize label information of graphs and hence yield more discriminative metrics. Besides the algorithms, we provide theoretical analysis for the proposed methods. The proposed methods are evaluated in comparison to many baselines such as graph kernels and graph neural networks in the tasks of graph clustering and graph classification. The numerical results demonstrate the effectiveness and superiority of our methods.

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Deep Orthogonal Hypersphere Compression for Anomaly Detection 

Yunhe Zhang, Yan Sun, Jinyu Cai, Jicong Fan*
Published in ICLR  2024 (splotlight: top-5%)

A common assumption of many anomaly detection methods is that a reasonable decision boundary has a hypersphere shape, which is difficult to obtain in practice and is not sufficiently compact, especially when the data are in high-dimensional spaces. In this paper, we first propose a novel deep anomaly detection model that improves the original hypersphere learning through an orthogonal projection layer, which ensures that the training data distribution is consistent with the hypersphere hypothesis, thereby increasing the true positive rate and decreasing the false negative rate. Moreover, we propose a bi-hypersphere compression method to obtain a hyperspherical shell that yields a more compact decision region than a hyperball, which is demonstrated theoretically and numerically. Note that the proposed methods are not confined to common datasets, such as image and tabular data, but are also extended to a more challenging but promising scenario, graph-level anomaly detection, which learns graph representation with maximum mutual information between the substructure and global structure features while exploring orthogonal single- or bi-hypersphere anomaly decision boundaries. The numerical and visualization results on benchmark datasets demonstrate the effectiveness and superiority of our methods in comparison with many baselines and the state-of-the-arts.

Laplacian-based Cluster-Contractive t-SNE for High-Dimensional Data Visualization

Yan Sun^, Yi Han^, Jicong Fan* (^: co-author)

Published in TKDD 2023

In this article, we propose LaptSNE, a new graph-layout nonlinear dimensionality reduction method based on t-SNE, one of the best techniques for visualizing high-dimensional data as 2D scatter plots. Specifically, LaptSNE leverages the eigenvalue information of the graph Laplacian to shrink the potential clusters in the low-dimensional embedding when learning to preserve the local and global structure from high-dimensional space to low-dimensional space. The results demonstrate the superiority of our method over baselines such as t-SNE and UMAP. We also provide out-of-sample extension, large-scale extension, and mini-batch extension for our LaptSNE to facilitate dimensionality reduction in various scenarios.

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Presentation

“When Digital Progress Sidelines Seniors: Simulated Insights into Queueing Inequalities in Hospital Registrations” 

Accepted in POMS 2024

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