Related papers: QESK: Quantum-based Entropic Subtree Kernels for G…

In this work, we develop an Aligned Entropic Reproducing Kernel (AERK) for graph classification. We commence by performing the Continuous-time Quantum Walk (CTQW) on each graph structure, and computing the Averaged Mixing Matrix (AMM) to…

In this work, we propose a family of novel quantum kernels, namely the Hierarchical Aligned Quantum Jensen-Shannon Kernels (HAQJSK), for un-attributed graphs. Different from most existing classical graph kernels, the proposed HAQJSK kernels…

Graph kernels are often used in bioinformatics and network applications to measure the similarity between graphs; therefore, they may be used to construct efficient graph classifiers. Many graph kernels have been developed thus far, but to…

Most graph kernels are an instance of the class of $\mathcal{R}$-Convolution kernels, which measure the similarity of objects by comparing their substructures. Despite their empirical success, most graph kernels use a naive aggregation of…

Graph kernels are conventional methods for computing graph similarities. However, the existing R-convolution graph kernels cannot resolve both of the two challenges: 1) Comparing graphs at multiple different scales, and 2) Considering the…

In recent years, kernel methods are widespread in tasks of similarity measuring. Specifically, graph kernels are widely used in fields of bioinformatics, chemistry and financial data analysis. However, existing methods, especially entropy…

Graph kernels are kernel methods measuring graph similarity and serve as a standard tool for graph classification. However, the use of kernel methods for node classification, which is a related problem to graph representation learning, is…

Graph is an usual representation of relational data, which are ubiquitous in manydomains such as molecules, biological and social networks. A popular approach to learningwith graph structured data is to make use of graph kernels, which…

Neutral atom platforms are analogue quantum simulators that offer the possibility to map graphs onto a 2D qubit register using programmable Rubidium atoms arrays, whose valence electrons' energy state is used as qubits, using optical…

We propose graph kernels based on subgraph matchings, i.e. structure-preserving bijections between subgraphs. While recently proposed kernels based on common subgraphs (Wale et al., 2008; Shervashidze et al., 2009) in general can not be…

Most state-of-the-art graph kernels only take local graph properties into account, i.e., the kernel is computed with regard to properties of the neighborhood of vertices or other small substructures. On the other hand, kernels that do take…

In this paper, we propose a new model to learn Adaptive Kernel-based Representations (AKBR) for graph classification. Unlike state-of-the-art R-convolution graph kernels that are defined by merely counting any pair of isomorphic…

Subgraph representation learning has been effective in solving various real-world problems. However, current graph neural networks (GNNs) produce suboptimal results for subgraph-level tasks due to their inability to capture complex…

The emergence of Quantum Machine Learning (QML) to enhance traditional classical learning methods has seen various limitations to its realisation. There is therefore an imperative to develop quantum models with unique model hypotheses to…

Graph kernels are widely used for measuring the similarity between graphs. Many existing graph kernels, which focus on local patterns within graphs rather than their global properties, suffer from significant structure information loss when…

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…

At present, there are a large number of quantum neural network models to deal with Euclidean spatial data, while little research have been conducted on non-Euclidean spatial data. In this paper, we propose a novel quantum graph…

Quasi-cliques are dense incomplete subgraphs of a graph that generalize the notion of cliques. Enumerating quasi-cliques from a graph is a robust way to detect densely connected structures with applications to bio-informatics and social…

Quantum error mitigation (QEM) provides a practical route for estimating reliable observables on noisy intermediate-scale quantum (NISQ) devices. Traditional QEM strategies, including zero-noise extrapolation (ZNE) and Clifford data…

We present a deep Graph Convolutional Kernel Machine (GCKM) for semi-supervised node classification in graphs. The method is built of two main types of blocks: (i) We introduce unsupervised kernel machine layers propagating the node…