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A method for improving the efficiency of graph isomorphism testing is presented. The method uses the structure of the graph colored by vertex hash codes as a means of partitioning vertices into equivalence classes, which in turn reduces the…

Data Structures and Algorithms · Computer Science 2016-06-02 Thomas E. Portegys

The kernel method is a potential approach to analyzing structured data such as sequences, trees, and graphs; however, unordered trees have not been investigated extensively. Kimura et al. (2011) proposed a kernel function for unordered…

Data Structures and Algorithms · Computer Science 2012-06-22 Daisuke Kimura , Hisashi Kashima

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

With the recent rise in the amount of structured data available, there has been considerable interest in methods for machine learning with graphs. Many of these approaches have been kernel methods, which focus on measuring the similarity…

Machine Learning · Computer Science 2017-08-07 P. -L. Giscard , R. C. Wilson

Graph learning is naturally well suited for use in symbolic, object-centric planning due to its ability to exploit relational structures exhibited in planning domains and to take as input planning instances with arbitrary numbers of…

Artificial Intelligence · Computer Science 2025-01-08 Dillon Z. Chen , Sylvie Thiébaux

Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a…

Machine Learning · Computer Science 2023-02-14 Zehao Niu , Mihai Anitescu , Jie Chen

Graph neural network (GNN) is a deep model for graph representation learning. One advantage of graph neural network is its ability to incorporate node features into the learning process. However, this prevents graph neural network from…

Machine Learning · Computer Science 2019-11-21 Chi Thang Duong , Thanh Dat Hoang , Ha The Hien Dang , Quoc Viet Hung Nguyen , Karl Aberer

Most machine learning algorithms, such as classification or regression, treat the individual data point as the object of interest. Here we consider extending machine learning algorithms to operate on groups of data points. We suggest…

Machine Learning · Computer Science 2021-01-15 Danica J. Sutherland , Liang Xiong , Barnabás Póczos , Jeff Schneider

OmniGraph, a novel representation to support a range of NLP classification tasks, integrates lexical items, syntactic dependencies and frame semantic parses into graphs. Feature engineering is folded into the learning through convolution…

Computation and Language · Computer Science 2015-10-13 Boyi Xie , Rebecca J. Passonneau

We introduce a connection between a near-term quantum computing device, specifically a Gaussian boson sampler, and the graph isomorphism problem. We propose a scheme where graphs are encoded into quantum states of light, whose properties…

Quantum Physics · Physics 2021-04-08 Kamil Bradler , Shmuel Friedland , Josh Izaac , Nathan Killoran , Daiqin Su

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

Kernel learning methods are among the most effective learning methods and have been vigorously studied in the past decades. However, when tackling with complicated tasks, classical kernel methods are not flexible or "rich" enough to…

Machine Learning · Computer Science 2019-10-08 Jiaxuan Xie , Fanghui Liu , Kaijie Wang , Xiaolin Huang

Anomaly detection based on one-class classification algorithms is broadly used in many applied domains like image processing (e.g. detection of whether a patient is "cancerous" or "healthy" from mammography image), network intrusion…

Machine Learning · Statistics 2017-07-14 Evgeny Burnaev , Pavel Erofeev , Dmitry Smolyakov

Kernel methods have recently attracted resurgent interest, showing performance competitive with deep neural networks in tasks such as speech recognition. The random Fourier features map is a technique commonly used to scale up kernel…

Machine Learning · Computer Science 2018-02-01 Tri Dao , Christopher De Sa , Christopher Ré

Kernel methods are powerful tools in statistical learning, but their cubic complexity in the sample size n limits their use on large-scale datasets. In this work, we introduce a scalable framework for kernel regression with O(n log n)…

Machine Learning · Statistics 2025-09-04 Nathan Doumèche , Francis Bach , Gérard Biau , Claire Boyer

Using a quantum processor to embed and process classical data enables the generation of correlations between variables that are inefficient to represent through classical computation. A fundamental question is whether these correlations…

We present a novel framework for kernel learning with sequential data of any kind, such as time series, sequences of graphs, or strings. Our approach is based on signature features which can be seen as an ordered variant of sample…

Machine Learning · Statistics 2016-02-01 Franz J Király , Harald Oberhauser

Graph classification aims to categorise graphs based on their structure and node attributes. In this work, we propose to tackle this task using tools from graph signal processing by deriving spectral features, which we then use to design…

Machine Learning · Computer Science 2023-06-07 Felix L. Opolka , Yin-Cong Zhi , Pietro Liò , Xiaowen Dong

Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of…

Machine Learning · Computer Science 2022-11-28 Hatem Helal , Jesun Firoz , Jenna Bilbrey , Mario Michael Krell , Tom Murray , Ang Li , Sotiris Xantheas , Sutanay Choudhury

Computing high-quality independent sets quickly is an important problem in combinatorial optimization. Several recent algorithms have shown that kernelization techniques can be used to find exact maximum independent sets in medium-sized…

Data Structures and Algorithms · Computer Science 2016-02-05 Jakob Dahlum , Sebastian Lamm , Peter Sanders , Christian Schulz , Darren Strash , Renato F. Werneck