893 research outputs found
A transitive aligned Weisfeiler-Lehman subtree kernel
In this paper, we develop a new transitive aligned Weisfeiler-Lehman subtree kernel. This kernel not only overcomes the shortcoming of ignoring correspondence information between isomorphic substructures that arises in existing R-convolution kernels, but also guarantees the transitivity between the correspondence information that is not available for existing matching kernels. Our kernel outperforms state-of-the-art graph kernels in terms of classification accuracy on standard graph datasets
Learning from graphs with structural variation
We study the effect of structural variation in graph data on the predictive
performance of graph kernels. To this end, we introduce a novel, noise-robust
adaptation of the GraphHopper kernel and validate it on benchmark data,
obtaining modestly improved predictive performance on a range of datasets.
Next, we investigate the performance of the state-of-the-art Weisfeiler-Lehman
graph kernel under increasing synthetic structural errors and find that the
effect of introducing errors depends strongly on the dataset.Comment: Presented at the NIPS 2017 workshop "Learning on Distributions,
Functions, Graphs and Groups
A Survey on Graph Kernels
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 design, such as the nature of their extracted graph features,
their method of computation and their applicability to problems in practice. In
an extensive experimental evaluation, we study the classification accuracy of a
large suite of graph kernels on established benchmarks as well as new datasets.
We compare the performance of popular kernels with several baseline methods and
study the effect of applying a Gaussian RBF kernel to the metric induced by a
graph kernel. In doing so, we find that simple baselines become competitive
after this transformation on some datasets. Moreover, we study the extent to
which existing graph kernels agree in their predictions (and prediction errors)
and obtain a data-driven categorization of kernels as result. Finally, based on
our experimental results, we derive a practitioner's guide to kernel-based
graph classification
Kernel Graph Convolutional Neural Networks
Graph kernels have been successfully applied to many graph classification
problems. Typically, a kernel is first designed, and then an SVM classifier is
trained based on the features defined implicitly by this kernel. This two-stage
approach decouples data representation from learning, which is suboptimal. On
the other hand, Convolutional Neural Networks (CNNs) have the capability to
learn their own features directly from the raw data during training.
Unfortunately, they cannot handle irregular data such as graphs. We address
this challenge by using graph kernels to embed meaningful local neighborhoods
of the graphs in a continuous vector space. A set of filters is then convolved
with these patches, pooled, and the output is then passed to a feedforward
network. With limited parameter tuning, our approach outperforms strong
baselines on 7 out of 10 benchmark datasets.Comment: Accepted at ICANN '1
A simple yet effective baseline for non-attributed graph classification
Graphs are complex objects that do not lend themselves easily to typical
learning tasks. Recently, a range of approaches based on graph kernels or graph
neural networks have been developed for graph classification and for
representation learning on graphs in general. As the developed methodologies
become more sophisticated, it is important to understand which components of
the increasingly complex methods are necessary or most effective.
As a first step, we develop a simple yet meaningful graph representation, and
explore its effectiveness in graph classification. We test our baseline
representation for the graph classification task on a range of graph datasets.
Interestingly, this simple representation achieves similar performance as the
state-of-the-art graph kernels and graph neural networks for non-attributed
graph classification. Its performance on classifying attributed graphs is
slightly weaker as it does not incorporate attributes. However, given its
simplicity and efficiency, we believe that it still serves as an effective
baseline for attributed graph classification. Our graph representation is
efficient (linear-time) to compute. We also provide a simple connection with
the graph neural networks.
Note that these observations are only for the task of graph classification
while existing methods are often designed for a broader scope including node
embedding and link prediction. The results are also likely biased due to the
limited amount of benchmark datasets available. Nevertheless, the good
performance of our simple baseline calls for the development of new, more
comprehensive benchmark datasets so as to better evaluate and analyze different
graph learning methods. Furthermore, given the computational efficiency of our
graph summary, we believe that it is a good candidate as a baseline method for
future graph classification (or even other graph learning) studies.Comment: 13 pages. Shorter version appears at 2019 ICLR Workshop:
Representation Learning on Graphs and Manifolds. arXiv admin note: text
overlap with arXiv:1810.00826 by other author
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