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The design of neural architectures for structured objects is typically guided by experimental insights rather than a formal process. In this work, we appeal to kernels over combinatorial structures, such as sequences and graphs, to derive…

Neural and Evolutionary Computing · Computer Science 2017-10-31 Tao Lei , Wengong Jin , Regina Barzilay , Tommi Jaakkola

The purpose of this review is to introduce the reader to graph kernels and the corresponding literature, with an emphasis on those with direct application to chemoinformatics. Graph kernels are functions that allow for the inference of…

Machine Learning · Statistics 2022-08-29 James Young

The majority of popular graph kernels is based on the concept of Haussler's $\mathcal{R}$-convolution kernel and defines graph similarities in terms of mutual substructures. In this work, we enrich these similarity measures by considering…

Machine Learning · Computer Science 2021-10-25 Till Hendrik Schulz , Pascal Welke , Stefan Wrobel

The Weisfeiler-Lehman graph kernels are among the most prevalent graph kernels due to their remarkable time complexity and predictive performance. Their key concept is based on an implicit comparison of neighborhood representing trees with…

Machine Learning · Computer Science 2021-01-21 Till Hendrik Schulz , Tamás Horváth , Pascal Welke , Stefan Wrobel

Motivated by chemical applications, we revisit and extend a family of positive definite kernels for graphs based on the detection of common subtrees, initially proposed by Ramon et al. (2003). We propose new kernels with a parameter to…

Quantitative Methods · Quantitative Biology 2016-08-16 Pierre Mahé , Jean-Philippe Vert

The availability of graph data with node attributes that can be either discrete or real-valued is constantly increasing. While existing kernel methods are effective techniques for dealing with graphs having discrete node labels, their…

Machine Learning · Computer Science 2024-10-30 Giovanni Da San Martino , Nicolò Navarin , Alessandro Sperduti

Kernels on graphs have had limited options for node-level problems. To address this, we present a novel, generalized kernel for graphs with node feature data for semi-supervised learning. The kernel is derived from a regularization…

Machine Learning · Computer Science 2022-11-29 Yin-Cong Zhi , Felix L. Opolka , Yin Cheng Ng , Pietro Liò , Xiaowen Dong

Graph kernels have recently emerged as a promising approach for tackling the graph similarity and learning tasks at the same time. In this paper, we propose a general framework for designing graph kernels. The proposed framework capitalizes…

Machine Learning · Statistics 2018-08-09 Giannis Nikolentzos , Michalis Vazirgiannis

A kernel of a directed graph is a subset of vertices that is both independent and absorbing (every vertex not in the kernel has an out-neighbour in the kernel). Not all directed graphs contain kernels, and computing a kernel or deciding…

Discrete Mathematics · Computer Science 2024-05-20 Bruno Jartoux

Graph-structured data arise in wide applications, such as computer vision, bioinformatics, and social networks. Quantifying similarities among graphs is a fundamental problem. In this paper, we develop a framework for computing graph…

Machine Learning · Statistics 2018-09-11 Zhen Zhang , Mianzhi Wang , Yijian Xiang , Yan Huang , Arye Nehorai

We reexamine equivariant generalizations of the Lefschetz number and Reidemeister trace using categorical traces. This gives simple, conceptual descriptions of the invariants as well as direct comparisons to previously defined…

Algebraic Topology · Mathematics 2015-03-25 Kate Ponto

In this paper, we develop a new graph kernel, namely the Hierarchical Transitive-Aligned kernel, by transitively aligning the vertices between graphs through a family of hierarchical prototype graphs. Comparing to most existing…

Social and Information Networks · Computer Science 2020-02-12 Lu Bai , Lixin Cui , Edwin R. Hancock

Graph convolutional networks are a popular class of deep neural network algorithms which have shown success in a number of relational learning tasks. Despite their success, graph convolutional networks exhibit a number of peculiar features,…

Machine Learning · Computer Science 2022-08-22 Thomas Gebhart

The study of networks has witnessed an explosive growth over the past decades with several ground-breaking methods introduced. A particularly interesting -- and prevalent in several fields of study -- problem is that of inferring a function…

The goal of this note is to show that in the case of transversal intersections the "true local terms" appearing in the Lefschetz trace formula equal to the "naive local terms". To prove the result we extend the method of [Va], where the…

Algebraic Geometry · Mathematics 2021-11-29 Yakov Varshavsky

We introduce the first graph kernels for metric graphs via tropical algebraic geometry. In contrast to conventional graph kernels based on graph combinatorics such as nodes, edges, and subgraphs, our metric graph kernels are purely based on…

Machine Learning · Computer Science 2026-01-30 Yueqi Cao , Anthea Monod

Let $G_\Gamma$ be a graph product over a finite simplicial graph $\Gamma$, and let $K_\Gamma$ denote the kernel of the canonical homomorphism from $G_\Gamma$ to the direct product of its vertex groups. It is known that, up to isomorphism,…

Group Theory · Mathematics 2026-05-11 Ian J. Leary , Nansen Petrosyan

The quantum Lefschetz formula explains how virtual fundamental classes (or structure sheaves) of moduli stacks of stable maps behave when passing from an ambient target scheme to the zero locus of a section. It is only valid under special…

Algebraic Geometry · Mathematics 2024-11-05 David Kern

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

We describe the design of a reproducing kernel suitable for attributed graphs, in which the similarity between the two graphs is defined based on the neighborhood information of the graph nodes with the aid of a product graph formulation.…

Artificial Intelligence · Computer Science 2022-01-21 Asif Salim , Shiju. S. S , Sumitra. S