A new method uses gene interaction networks to predict gene functions.
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A number of applications in engineering, social sciences, physics, and biology involve inference over networks. In this context, graph signals are widely encountered as descriptors of vertex attributes or features in graph-structured data. Estimating such signals in all vertices given noisy observations of their values…
Generalizes neural networks for infinite-dimensional mappings, including PDE solutions.
NTKs explain GNNs' alignment for graph prediction.
New GL-GP models learn covariance respecting domain geometry.
GeometricKernels package implements kernels for uncertain data on graphs, manifolds, and meshes.
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 attributes of a set of vertices given those of another subset at possibly different ti…
Scalable machine learning with path signatures for time series and graphs.
Graph kernels assess graph similarity for various applications.
Many real world graphs, such as the graphs of molecules, exhibit structure at multiple different scales, but most existing kernels between graphs are either purely local or purely global in character. In contrast, by building a hierarchy of nested subgraphs, the Multiscale Laplacian Graph kernels (MLG kernels) that we …
Graph convolutional kernel networks generalize CNNs to graph data.
While state-of-the-art kernels for graphs with discrete labels scale well to graphs with thousands of nodes, the few existing kernels for graphs with continuous attributes, unfortunately, do not scale well. To overcome this limitation, we present hash graph kernels, a general framework to derive kernels for graphs with…
New graph kernels capture spatio-temporal interactions.
This paper reconstructs complex graph signals using kernel methods on manifolds.
Tree++ graph kernel captures similarities at multiple granularities.
Graph kernels for metric graphs using tropical algebra.
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 representing graphs. Some recent global graph kernels, which utilizes the align…
Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We describe and categorize graph kernels based on properties inherent to their des…
DHGAK aligns substructures for better graph kernel performance.
New kernel improves graph learning with fewer labeled data.
New walk extraction strategies improve node embeddings in KGs.
Constructing the adjacency graph is fundamental to graph-based clustering. Graph learning in kernel space has shown impressive performance on a number of benchmark data sets. However, its performance is largely determined by the chosen kernel matrix. To address this issue, the previous multiple kernel learning algorith…
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 applied to attributed graphs, our approach allows to rate mappings of subgraphs by …
Graph kernels have attracted a lot of attention during the last decade, and have evolved into a rapidly developing branch of learning on structured data. During the past 20 years, the considerable research activity that occurred in the field resulted in the development of dozens of graph kernels, each focusing on speci…
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 global graph propertiesinto account may not scale well to large graph databases.…
This review introduces graph kernels for chemoinformatics.
In this paper we study the concentration properties for the eigenvalues of kernel matrices, which are central objects in a wide range of kernel methods and, more recently, in network analysis. We present a set of concentration inequalities tailored for each individual eigenvalue of the kernel matrix with respect to its…
We develop a multi-kernel based regression method for graph signal processing where the target signal is assumed to be smooth over a graph. In multi-kernel regression, an effective kernel function is expressed as a linear combination of many basis kernel functions. We estimate the linear weights to learn the effective …
A new measure of dependence for various data types.
A new kernel measures brain network similarities, improving disease classification.
End-to-end graph SVM with graph convolutions and RKHS.
This work considers the problem of computing distances between structured objects such as undirected graphs, seen as probability distributions in a specific metric space. We consider a new transportation distance (i.e. that minimizes a total cost of transporting probability masses) that unveils the geometric nature of …
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 kernels, based on return probabilities of random walks. The advantages of our proposed…
A novel algorithm for unbiased graph kernel estimation with subquadratic time complexity.
ABC learns context-aware representations for clustering.
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 on the well-known message passing scheme on graphs. The kernels derived from th…
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 still ill-posed and the state-of-the-art methods are heavily based on heuristics.…
Proposes a Gaussian process for graph signals using adaptive spectral kernels.
We present novel graph kernels for graphs with node and edge labels that have ordered neighborhoods, i.e. when neighbor nodes follow an order. Graphs with ordered neighborhoods are a natural data representation for evolving graphs where edges are created over time, which induces an order. Combining convolutional subgra…
We propose a new graph kernel for graph classification and comparison using Ollivier Ricci curvature. The Ricci curvature of an edge in a graph describes the connectivity in the local neighborhood. An edge in a densely connected neighborhood has positive curvature and an edge serving as a local bridge has negative curv…
While graph kernels (GKs) are easy to train and enjoy provable theoretical guarantees, their practical performances are limited by their expressive power, as the kernel function often depends on hand-crafted combinatorial features of graphs. Compared to graph kernels, graph neural networks (GNNs) usually achieve better…
New kernel speeds up graph regression in physics.
Graph transformers outperform graph convolutions by preserving community information.
LLMs learn probability density functions in-context, showing distinct learning trajectories.
A faster graph kernel using optical random features.
We introduce propagation kernels, a general graph-kernel framework for efficiently measuring the similarity of structured data. Propagation kernels are based on monitoring how information spreads through a set of given graphs. They leverage early-stage distributions from propagation schemes such as random walks to capt…
Graph-based kernels improve GP performance on graph data.
LGKDE learns graph density using neural networks and perturbations.