Graph kernels assess graph similarity for various applications.
problem Assessing similarity between graphs for predictions.
method Review and comparison of existing graph kernels.
result State-of-the-art graph kernels reviewed and compared.
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48 results for “Graph Kernel”
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.
problem Representing graph-structured data for machine learning.
method Convolutional kernel networks applied to graph data.
result Competitive performance on graph classification benchmarks.
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.
problem Lack of justified spatio-temporal graph kernels for graph problems.
method Derive graph kernels via SPDEs for spatio-temporal modelling.
result Non-separable spatio-temporal graph kernels outperform existing ones.
This paper reconstructs complex graph signals using kernel methods on manifolds.
problem Reconstructing complex graph signals from samples on graph vertices.
method Kernel methods on complex manifolds, embedding vertices into higher-dimensional spaces.
result Effective reconstruction of complex graph signals, outperforming conventional methods.
Graph kernels for metric graphs using tropical algebra.
problem Comparing graphs representing different metric spaces.
method Purely based on geometry and topology, invariant under edge subdivision.
result Capture complementary geometric and topological information.
Scalable Global Alignment Graph Kernel Using Random Features: From Node Embedding to Graph Embeddingcs.LG
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.
problem Limited performance of traditional graph kernels due to missing substructure similarities.
method Hierarchically aligns relational substructures in deep embedding space, assigning same feature maps in RKHS.
result DHGAK outperforms state-of-the-art graph kernels on various benchmarks.
Graph-structured data arise ubiquitously in many application domains. A fundamental problem is to quantify their similarities. Graph kernels are often used for this purpose, which decompose graphs into substructures and compare these substructures. However, most of the existing graph kernels do not have the property of…
New kernel improves graph learning with fewer labeled data.
problem Limited kernels for node-level problems on graphs.
method Derived from a regularization framework, transductive kernel for graphs with node features.
result Improved learning on fewer training points and non-Euclidean data.
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: A Surveystat.ML
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.
problem Quantifying similarity between molecular graphs.
method Graph kernels as a method for quantifying molecular graph similarity.
result Graph kernels have direct applications in chemoinformatics.
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 kernel measures brain network similarities, improving disease classification.
problem Lack of edge weight information in existing graph kernels for brain connectivity networks.
method Ordinal pattern kernel for weighted brain connectivity networks.
result The ordinal pattern kernel achieves better classification performance than state-of-the-art graph kernels.
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.
problem Efficient estimation of graph kernels for large networks.
method Random walk-based algorithm with modulation function parameterized by neural network.
result Higher-quality kernel estimates and efficient scalable learning on larger networks.
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.
problem Predicting signals on graph nodes with various structures.
method Spectral kernel learning approach that incorporates a polynomial function in the graph spectral domain.
result The model accurately recovers ground truth spectral filters and outperforms in real-world graph data.
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.
problem Handling large, sparse graphs with continuous node attributes in physics.
method Introduced Sliced Wasserstein Weisfeiler-Lehman (SWWL) graph kernel for Gaussian process regression.
result The SWWL kernel is efficient and positive definite, reducing complexity.
A faster graph kernel using optical random features.
problem High computation cost of graphlet kernel due to isomorphism test.
method Kernel random features, optical random features, mean kernel metric.
result The proposed method is orders of magnitude faster with similar or better accuracy.
Propagation Kernelsstat.ML
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.
problem Improving Gaussian process performance on graph-structured data.
method Introduced graph neural network-inspired kernels into Gaussian processes.
result Graph convolutional networks are equivalent to certain GP kernels when infinitely wide.
Learnable Kernel Density Estimation for Graphs and Its Application to Graph-Level Anomaly Detectioncs.LG
LGKDE learns graph density using neural networks and perturbations.
problem Graph density estimation challenges in capturing structural patterns and semantic variations.
method LGKDE uses graph neural networks to represent graphs as discrete distributions and learns graph metrics via maximum mean discrepancy.
result LGKDE outperforms state-of-the-art baselines in graph anomaly detection.
We present an approach to model time series data from resting state fMRI for autism spectrum disorder (ASD) severity classification. We propose to adopt kernel machines and employ graph kernels that define a kernel dot product between two graphs. This enables us to take advantage of spatio-temporal information to captu…
We propose a representation of graph as a functional object derived from the power iteration of the underlying adjacency matrix. The proposed functional representation is a graph invariant, i.e., the functional remains unchanged under any reordering of the vertices. This property eliminates the difficulty of handling e…
A new kernel for ranked data tackles computational challenges.
problem Complex geometric structure and partial rankings make existing algorithms infeasible for real-world applications.
method Derives a graph cut kernel that combines submodular optimization and kernel-based methods.
result The graph cut kernel efficiently handles large-scale ranked data.
Study evaluates RKHS choices for assessing graph models using KSD tests.
problem Effect of RKHS choice on KSD tests for graph model assessment.
method Investigated power performance and computational runtime of KSD tests for ERGMs and synthetic graph generators.
result Different RKHS choices affect KSD test performance and computational runtime.
Unified view on random walk and Weisfeiler-Leman kernels, improving accuracy.
problem Improving graph kernel methods for better classification accuracy.
method Define and analyze walk-based node refinement methods, relate to Weisfeiler-Leman test, and introduce new walk-based kernels.
result Walk-based kernels are as expressive as Weisfeiler-Leman subtree kernel but support non-strict neighborhood comparison.
Proposes a novel graph learning framework for robust graph topology learning from graph signals.
problem Graph learning for revealing node relationships in data entities.
method Functional learning with smoothness-promoting graph learning, incorporating Kronecker product kernel.
result Improves robustness against missing and incomplete information in graph signals.
Study spectral properties of graph Laplacian for manifold data.
problem Understanding spectral properties of graph Laplacian for manifold data.
method Non-asymptotic error bounds on spectral properties of empirical graph Laplacian.
result Eigenvalues and eigenspaces of empirical graph Laplacian are close to Laplace-Beltrami operator of manifold.
Proposes a novel graph signal model using narrowband kernels.
problem Graph signals with multiple concentrated frequency regions.
method Jointly learns graph signal model parameters and coefficients.
result Joint learning improves signal interpolation accuracy.
TopoNTK kernel captures higher-order interactions in simplicial complexes.
problem Graph neural networks miss higher-order interactions in relational systems.
method Introduces TopoNTK, an infinite-width kernel for simplicial message passing.
result TopoNTK captures topology invisible to graph kernels, improving expressivity and interpretability.
Optimal Time Complexity Algorithms for Computing General Random Walk Graph Kernels on Sparse Graphscs.LG
Linear time algorithm for random walk kernels on sparse graphs.
problem Efficient computation of general random walk kernels for large graphs.
method Sample dependent random walks to compute graph embeddings without direct graph product.
result Up to 27x faster and scalable to 128x larger graphs than previous methods.
A novel kernel-based support vector machine (SVM) for graph classification is proposed. The SVM feature space mapping consists of a sequence of graph convolutional layers, which generates a vector space representation for each vertex, followed by a pooling layer which generates a reproducing kernel Hilbert space (RKHS)…
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…
The problem of accurately measuring the similarity between graphs is at the core of many applications in a variety of disciplines. Graph kernels have recently emerged as a promising approach to this problem. There are now many kernels, each focusing on different structural aspects of graphs. Here, we present GraKeL, a …
Enhances graph neural networks by considering feature similarities in node aggregation.
problem Ignoring node feature similarities in traditional graph aggregation schemes.
method Interprets node aggregation as kernel weighting, proposing a framework that considers feature similarities.
result Proposed framework outperforms traditional GCNs in real-world applications.
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 kernel functions have been defined on graphs that coupled with kernelized learn…
Adding node feature kernels improves GCN robustness to graph perturbations.
problem GCNs' robustness to graph perturbations is a concern.
method Introduced random GCN and added node feature kernels to message passing.
result Perturbations of the graph structure can significantly degrade GCN performance.