Convolution Neural Networks on Graphs are important generalization and extension of classical CNNs. While previous works generally assumed that the graph structures of samples are regular with unified dimensions, in many applications, they are highly diverse or even not well defined. Under some circumstances, e.g. chemical molecular data, clustering or coarsening for simplifying the graphs is hard to be justified chemically. In this paper, we propose a more general and flexible graph convolution network (EGCN) fed by batch of arbitrarily shaped data together with their evolving graph Laplacians trained in supervised fashion. Extensive experiments have been conducted to demonstrate the superior performance in terms of both the acceleration of parameter fitting and the significantly improved prediction accuracy on multiple graph-structured datasets.
Recently, @cite_19 investigated a similar problem as ours by learning edge-conditioned feature weight matrix from edge features using a separate filter-generating network @cite_22 , while @cite_19 's application is on point cloud classification. There are other studies about learning on graph data such as @cite_5 that proposed a kernel embedding methods on feature space for graph-structured data. Another similar work is @cite_17 , but their models do not fall into the kingdom of feed-forward CNN analogs on graphs.
@cite_19 @cite_5 @cite_22 @cite_17
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A number of problems can be formulated as prediction on graph-structured data. In this work, we generalize the convolution operator from regular grids to arbitrary graphs while avoiding the spectral domain, which allows us to handle graphs of varying size and connectivity. To move beyond a simple diffusion, filter weights are conditioned on the specific edge labels in the neighborhood of a vertex. Together with the proper choice of graph coarsening, we explore constructing deep neural networks for graph classification. In particular, we demonstrate the generality of our formulation in point cloud classification, where we set the new state of the art, and on a graph classification dataset, where we outperform other deep learning approaches. The source code is available at this https URL Kernel classifiers and regressors designed for structured data, such as sequences, trees and graphs, have significantly advanced a number of interdisciplinary areas such as computational biology and drug design. Typically, kernels are designed beforehand for a data type which either exploit statistics of the structures or make use of probabilistic generative models, and then a discriminative classifier is learned based on the kernels via convex optimization. However, such an elegant two-stage approach also limited kernel methods from scaling up to millions of data points, and exploiting discriminative information to learn feature representations. We propose, structure2vec, an effective and scalable approach for structured data representation based on the idea of embedding latent variable models into feature spaces, and learning such feature spaces using discriminative information. Interestingly, structure2vec extracts features by performing a sequence of function mappings in a way similar to graphical model inference procedures, such as mean field and belief propagation. In applications involving millions of data points, we showed that structure2vec runs 2 times faster, produces models which are @math times smaller, while at the same time achieving the state-of-the-art predictive performance. Prediction tasks over nodes and edges in networks require careful effort in engineering features used by learning algorithms. Recent research in the broader field of representation learning has led to significant progress in automating prediction by learning the features themselves. However, present feature learning approaches are not expressive enough to capture the diversity of connectivity patterns observed in networks. Here we propose node2vec, an algorithmic framework for learning continuous feature representations for nodes in networks. In node2vec, we learn a mapping of nodes to a low-dimensional space of features that maximizes the likelihood of preserving network neighborhoods of nodes. We define a flexible notion of a node's network neighborhood and design a biased random walk procedure, which efficiently explores diverse neighborhoods. Our algorithm generalizes prior work which is based on rigid notions of network neighborhoods, and we argue that the added flexibility in exploring neighborhoods is the key to learning richer representations. We demonstrate the efficacy of node2vec over existing state-of-the-art techniques on multi-label classification and link prediction in several real-world networks from diverse domains. Taken together, our work represents a new way for efficiently learning state-of-the-art task-independent representations in complex networks.