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Multi-kernel learning (MKL) has been widely used in function approximation tasks. The key problem of MKL is to combine kernels in a prescribed dictionary. Inclusion of irrelevant kernels in the dictionary can deteriorate accuracy of MKL,…

Machine Learning · Computer Science 2021-02-10 Pouya M Ghari , Yanning Shen

We propose a new graph-theoretic benchmark in this paper. The benchmark is developed to address shortcomings of an existing widely-used graph benchmark. We thoroughly studied a large number of traditional and contemporary graph algorithms…

Performance · Computer Science 2010-05-06 Andy B. Yoo , Yang Liu , Sheila Vaidya , Stephen Poole

In structure-based drug design, accurately estimating the binding affinity between a candidate ligand and its protein receptor is a central challenge. Recent advances in artificial intelligence, particularly deep learning, have demonstrated…

Biomolecules · Quantitative Biology 2025-09-18 Md Masud Rana , Farjana Tasnim Mukta , Duc D. Nguyen

Graph Neural Networks (GNNs) often assume strong homophily for graph classification, seldom considering heterophily, which means connected nodes tend to have different class labels and dissimilar features. In real-world scenarios, graphs…

Machine Learning · Computer Science 2024-05-10 Jiayi Yang , Sourav Medya , Wei Ye

A new method for hierarchical clustering is presented. It combines treelets, a particular multiscale decomposition of data, with a projection on a reproducing kernel Hilbert space. The proposed approach, called kernel treelets (KT),…

Machine Learning · Statistics 2019-07-24 Hedi Xia , Hector D. Ceniceros

Agglomerative hierarchical clustering (AHC) is one of the popular clustering approaches. Existing AHC methods, which are based on a distance measure, have one key issue: it has difficulty in identifying adjacent clusters with varied…

Machine Learning · Computer Science 2024-01-30 Xin Han , Ye Zhu , Kai Ming Ting , Gang Li

Heterogeneous graphs (HGs) also known as heterogeneous information networks have become ubiquitous in real-world scenarios; therefore, HG embedding, which aims to learn representations in a lower-dimension space while preserving the…

Social and Information Networks · Computer Science 2020-12-02 Xiao Wang , Deyu Bo , Chuan Shi , Shaohua Fan , Yanfang Ye , Philip S. Yu

The convolution operator at the core of many modern neural architectures can effectively be seen as performing a dot product between an input matrix and a filter. While this is readily applicable to data such as images, which can be…

Machine Learning · Computer Science 2025-11-26 Luca Cosmo , Giorgia Minello , Alessandro Bicciato , Michael Bronstein , Emanuele Rodolà , Luca Rossi , Andrea Torsello

Graph contrastive learning (GCL) aims to learn discriminative semantic invariance by contrasting different views of the same graph that share critical topological patterns. However, existing GCL approaches with structural augmentations…

Machine Learning · Computer Science 2025-12-03 Qirui Ji , Bin Qin , Yifan Jin , Yunze Zhao , Chuxiong Sun , Changwen Zheng , Jianwen Cao , Jiangmeng Li

Learning on graph structured data has drawn increasing interest in recent years. Frameworks like Graph Convolutional Networks (GCNs) have demonstrated their ability to capture structural information and obtain good performance in various…

Machine Learning · Computer Science 2020-05-19 Yufan Zhou , Jiayi Xian , Changyou Chen , Jinhui Xu

Graph representation learning (GRL) has emerged as an effective technique for modeling graph-structured data. When modeling heterogeneity and dynamics in real-world complex networks, GRL methods designed for complex heterogeneous temporal…

Social and Information Networks · Computer Science 2026-05-19 Huan Liu , Pengfei Jiao , Mengzhou Gao , Chaochao Chen , Di Jin

This paper provides a new similarity detection algorithm. Given an input set of multi-dimensional data points, where each data point is assumed to be multi-dimensional, and an additional reference data point for similarity finding, the…

Artificial Intelligence · Computer Science 2017-07-12 Yariv Aizenbud , Amir Averbuch , Gil Shabat , Guy Ziv

Graph signals are widely used to describe vertex attributes or features in graph-structured data, with applications spanning the internet, social media, transportation, sensor networks, and biomedicine. Graph signal processing (GSP) has…

Signal Processing · Electrical Eng. & Systems 2025-05-22 Yu Zhang , Linyu Peng , Bing-Zhao Li

Problems in scientific computing, such as distributing large sparse matrix operations, have analogous formulations as hypergraph partitioning problems. A hypergraph is a generalization of a traditional graph wherein "hyperedges" may connect…

Data Structures and Algorithms · Computer Science 2022-06-16 Justin Sybrandt , Ruslan Shaydulin , Ilya Safro

Deep kernel learning aims at designing nonlinear combinations of multiple standard elementary kernels by training deep networks. This scheme has proven to be effective, but intractable when handling large-scale datasets especially when the…

Computer Vision and Pattern Recognition · Computer Science 2018-05-01 Mingyuan Jiu , Hichem Sahbi

We develop novel hierarchical reciprocal graphical models to infer gene networks from heterogeneous data. In the case of data that can be naturally divided into known groups, we propose to connect graphs by introducing a hierarchical prior…

Methodology · Statistics 2018-01-23 Yang Ni , Peter Mueller , Yitan Zhu , Yuan Ji

Many complex systems involve direct interactions among more than two entities and can be represented by hypergraphs, in which hyperedges encode higher-order interactions among an arbitrary number of nodes. To analyze structures and dynamics…

Physics and Society · Physics 2023-05-23 Kazuki Nakajima , Kazuyuki Shudo , Naoki Masuda

Node classification in structural networks has been proven to be useful in many real world applications. With the development of network embedding, the performance of node classification has been greatly improved. However, nearly all the…

Social and Information Networks · Computer Science 2021-04-13 Jia-Nan Guo , Xian-Ling Mao , Shu-Yang Lin , Wei Wei , Heyan Huang

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

Social and Information Networks · Computer Science 2021-12-15 Wentao Xu , Yingce Xia , Weiqing Liu , Jiang Bian , Jian Yin , Tie-Yan Liu

Recently, graph neural networks have been adopted in a wide variety of applications ranging from relational representations to modeling irregular data domains such as point clouds and social graphs. However, the space of graph neural…

Machine Learning · Computer Science 2018-12-14 Marcel Nassar
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