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Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

We view molecular optimization as a graph-to-graph translation problem. The goal is to learn to map from one molecular graph to another with better properties based on an available corpus of paired molecules. Since molecules can be…

Machine Learning · Computer Science 2019-01-30 Wengong Jin , Kevin Yang , Regina Barzilay , Tommi Jaakkola

Graph-regularized semi-supervised learning has been used effectively for classification when (i) instances are connected through a graph, and (ii) labeled data is scarce. If available, using multiple relations (or graphs) between the…

Machine Learning · Computer Science 2015-10-22 Junting Ye , Leman Akoglu

Distributed learning is an effective way to analyze big data. In distributed regression, a typical approach is to divide the big data into multiple blocks, apply a base regression algorithm on each of them, and then simply average the…

Machine Learning · Computer Science 2017-08-08 Zhengchu Guo , Lei Shi , Qiang Wu

We consider the problem of offline, pool-based active semi-supervised learning on graphs. This problem is important when the labeled data is scarce and expensive whereas unlabeled data is easily available. The data points are represented by…

Machine Learning · Computer Science 2014-05-20 Akshay Gadde , Aamir Anis , Antonio Ortega

Graph convolutional networks gain remarkable success in semi-supervised learning on graph structured data. The key to graph-based semisupervised learning is capturing the smoothness of labels or features over nodes exerted by graph…

Machine Learning · Computer Science 2020-08-03 Bingbing Xu , Huawei Shen , Qi Cao , Keting Cen , Xueqi Cheng

We consider a graphical model where a multivariate normal vector is associated with each node of the underlying graph and estimate the graphical structure. We minimize a loss function obtained by regressing the vector at each node on those…

Machine Learning · Statistics 2017-09-19 Xingqi Du , Subhashis Ghosal

The forecasting of multi-variate time processes through graph-based techniques has recently been addressed under the graph signal processing framework. However, problems in the representation and the processing arise when each time series…

Signal Processing · Electrical Eng. & Systems 2020-04-20 Alberto Natali , Elvin Isufi , Geert Leus

This paper presents new and effective algorithms for learning kernels. In particular, as shown by our empirical results, these algorithms consistently outperform the so-called uniform combination solution that has proven to be difficult to…

Machine Learning · Computer Science 2024-05-01 Corinna Cortes , Mehryar Mohri , Afshin Rostamizadeh

In this article, we introduce a kernel-based consensual aggregation method for regression problems. We aim to exibly combine individual regression estimators $r_1, \ldots, r_M$ using a weighted average where the weights are dened based on…

Statistics Theory · Mathematics 2023-10-03 Sothea Has

The increasing availability of graph-structured data motivates the task of optimising over functions defined on the node set of graphs. Traditional graph search algorithms can be applied in this case, but they may be sample-inefficient and…

Machine Learning · Computer Science 2023-10-31 Xingchen Wan , Pierre Osselin , Henry Kenlay , Binxin Ru , Michael A. Osborne , Xiaowen Dong

Graph-based clustering has shown promising performance in many tasks. A key step of graph-based approach is the similarity graph construction. In general, learning graph in kernel space can enhance clustering accuracy due to the…

Machine Learning · Computer Science 2019-05-22 Zhao Kang , Honghui Xu , Boyu Wang , Hongyuan Zhu , Zenglin Xu

The success of kernel methods has initiated the design of novel positive semidefinite functions, in particular for structured data. A leading design paradigm for this is the convolution kernel, which decomposes structured objects into their…

Machine Learning · Computer Science 2017-02-01 Nils M. Kriege , Pierre-Louis Giscard , Richard C. Wilson

Provenance is a record that describes how entities, activities, and agents have influenced a piece of data; it is commonly represented as graphs with relevant labels on both their nodes and edges. With the growing adoption of provenance in…

Machine Learning · Computer Science 2021-09-16 David Kohan Marzagão , Trung Dong Huynh , Ayah Helal , Sean Baccas , Luc Moreau

The `Signal plus Noise' model for nonparametric regression can be extended to the case of observations taken at the vertices of a graph. This model includes many familiar regression problems. This article discusses the use of the edges of a…

Methodology · Statistics 2009-11-11 Arne Kovac , Andrew D. A. C. Smith

Kernel-based modal statistical methods include mode estimation, regression, and clustering. Estimation accuracy of these methods depends on the kernel used as well as the bandwidth. We study effect of the selection of the kernel function to…

Machine Learning · Statistics 2023-04-21 Ryoya Yamasaki , Toshiyuki Tanaka

This paper investigates the robustness and optimality of the multi-kernel correntropy (MKC) on linear regression. We first derive an upper error bound for a scalar regression problem in the presence of arbitrarily large outliers and reveal…

Systems and Control · Electrical Eng. & Systems 2023-10-12 Shilei Li , Yunjiang Lou , Dawei Shi , Lijing Li , Ling Shi

Spectral kernel methods are techniques for transforming data into a coordinate system that efficiently reveals the geometric structure - in particular, the "connectivity" - of the data. These methods depend on certain tuning parameters. We…

Methodology · Statistics 2008-11-04 Ann B. Lee , Larry Wasserman

Learning-based methods for routing have gained significant attention in recent years, both in single-objective and multi-objective contexts. Yet, existing methods are unsuitable for routing on multigraphs, which feature multiple edges with…

Machine Learning · Computer Science 2026-02-23 Filip Rydin , Attila Lischka , Jiaming Wu , Morteza Haghir Chehreghani , Balázs Kulcsár

Graph-based methods pervade the inference toolkits of numerous disciplines including sociology, biology, neuroscience, physics, chemistry, and engineering. A challenging problem encountered in this context pertains to determining the…

Machine Learning · Computer Science 2018-09-25 Daniel Romero , Vassilis N. Ioannidis , Georgios B. Giannakis
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