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Low-dimensional embeddings are a cornerstone in the modelling and analysis of complex networks. However, most existing approaches for mining network embedding spaces rely on computationally intensive machine learning systems to facilitate…
Many scientific datasets are of high dimension, and the analysis usually requires visual manipulation by retaining the most important structures of data. Principal curve is a widely used approach for this purpose. However, many existing…
We demonstrate a new deep learning autoencoder network, trained by a nonnegativity constraint algorithm (NCAE), that learns features which show part-based representation of data. The learning algorithm is based on constraining negative…
Graph Neural Networks (GNN) exhibit superior performance in graph representation learning, but their inference cost can be high, due to an aggregation operation that can require a memory fetch for a very large number of nodes. This…
We consider the general problem of utilizing both labeled and unlabeled data to improve data representation performance. A new semi-supervised learning framework is proposed by combing manifold regularization and data representation methods…
Traditional classification tasks learn to assign samples to given classes based solely on sample features. This paradigm is evolving to include other sources of information, such as known relations between samples. Here we show that, even…
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…
Graph-based semi-supervised learning (GSSL) has been used successfully in various applications. Existing methods leverage the graph structure and labeled samples for classification. Label Propagation (LP) and Graph Neural Networks (GNNs)…
Explainable Graph Neural Networks (GNNs) have been developed and applied to drug-protein binding prediction to identify the key chemical structures in a drug that have active interactions with the target proteins. However, the key…
Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…
Neural architecture search has attracted wide attentions in both academia and industry. To accelerate it, researchers proposed weight-sharing methods which first train a super-network to reuse computation among different operators, from…
Effective information analysis generally boils down to properly identifying the structure or geometry of the data, which is often represented by a graph. In some applications, this structure may be partly determined by design constraints or…
Machine learning techniques have recently been adopted in various applications in medicine, biology, chemistry, and material engineering. An important task is to predict the properties of molecules, which serves as the main subroutine in…
Graph embedding provides an efficient solution for graph analysis by converting the graph into a low-dimensional space which preserves the structure information. In contrast to the graph structure data, the i.i.d. node embedding can be…
Graph neural networks (GNNs) have achieved strong performance across various real-world domains. Nevertheless, they suffer from oversquashing, where long-range information is distorted as it is compressed through limited message-passing…
Spectral graph convolutional neural networks (GCNNs) have been producing encouraging results in graph classification tasks. However, most spectral GCNNs utilize fixed graphs when aggregating node features, while omitting edge feature…
This paper introduces Polynomial Graphical Lasso (PGL), a new approach to learning graph structures from nodal signals. Our key contribution lies in modeling the signals as Gaussian and stationary on the graph, enabling the development of a…
Due to the development of graph neural networks, graph-based representation learning methods have made great progress in recommender systems. However, data sparsity is still a challenging problem that most graph-based recommendation methods…
Contrastive learning on graphs aims at extracting distinguishable high-level representations of nodes. In this paper, we theoretically illustrate that the entropy of a dataset can be approximated by maximizing the lower bound of the mutual…
Constructing the adjacency graph is fundamental to graph-based clustering. Graph learning in kernel space has shown impressive performance on a number of benchmark data sets. However, its performance is largely determined by the chosen…