We propose an extension of Convolutional Neural Networks (CNNs) to graph-structured data, including strided convolutions and data augmentation on graphs. Our method matches the accuracy of state-of-the-art CNNs when applied on images, without any prior about their 2D regular structure. On fMRI data, we obtain a significant gain in accuracy compared with existing graph-based alternatives.
In the second category, convolution is defined directly in the vertex domain. These works were originally motivated by chemistry datasets @cite_7 @cite_25 . Convolution is defined as a function of the kernel weights and neighboring vertices (the receptive field), usually based on dot products. As such, it retains the property of being localized and of sharing weights. But there remains the need to specify how the shared weights are allocated in this receptive field @cite_1 . This allocation can depend on an arbitrary order @cite_26 , on the number of hops @cite_22 @cite_18 , on both vertices and their neighbors @cite_16 @cite_12 , on another learned kernel @cite_13 , on an attention mechanism @cite_24 , on pattern identification @cite_15 , or on translation identification @cite_3 . All these methods also differ in the function that maps the receptive fields and the weight kernel to the neuron's outputs. But in the end, these definitions overlap. That is why some authors have proposed unified frameworks @cite_5 .
@cite_18 @cite_26 @cite_22 @cite_7 @cite_1 @cite_3 @cite_24 @cite_5 @cite_15 @cite_16 @cite_13 @cite_25 @cite_12
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Convolution acts as a local feature extractor in convolutional neural networks (CNNs). However, the convolution operation is not applicable when the input data is supported on an irregular graph such as with social networks, citation networks, or knowledge graphs. This paper proposes the topology adaptive graph convolutional network (TAGCN), a novel graph convolutional network that generalizes CNN architectures to graph-structured data and provides a systematic way to design a set of fixed-size learnable filters to perform convolutions on graphs. The topologies of these filters are adaptive to the topology of the graph when they scan the graph to perform convolution, replacing the square filter for the grid-structured data in traditional CNNs. The outputs are the weighted sum of these filters’ outputs, extraction of both vertex features and strength of correlation between vertices. It can be used with both directed and undirected graphs. The proposed TAGCN not only inherits the properties of convolutions in CNN for grid-structured data, but it is also consistent with convolution as defined in graph signal processing. Further, as no approximation to the convolution is needed, TAGCN exhibits better performance than existing graph-convolution-approximation methods on a number of data sets. As only the polynomials of degree two of the adjacency matrix are used, TAGCN is also computationally simpler than other recent methods. Numerous important problems can be framed as learning from graph data. We propose a framework for learning convolutional neural networks for arbitrary graphs. These graphs may be undirected, directed, and with both discrete and continuous node and edge attributes. Analogous to image-based convolutional networks that operate on locally connected regions of the input, we present a general approach to extracting locally connected regions from graphs. Using established benchmark data sets, we demonstrate that the learned feature representations are competitive with state of the art graph kernels and that their computation is highly efficient. We present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data. Through the introduction of a diffusion-convolution operation, we show how diffusion-based representations can be learned from graph-structured data and used as an effective basis for node classification. DCNNs have several attractive qualities, including a latent representation for graphical data that is invariant under isomorphism, as well as polynomial-time prediction and learning that can be represented as tensor operations and efficiently implemented on a GPU. Through several experiments with real structured datasets, we demonstrate that DCNNs are able to outperform probabilistic relational models and kernel-on-graph methods at relational node classification tasks. Convolutional Neural Networks (CNNs) have become the state-of-the-art in supervised learning vision tasks. Their convolutional filters are of paramount importance for they allow to learn patterns while disregarding their locations in input images. When facing highly irregular domains, generalized convolutional operators based on an underlying graph structure have been proposed. However, these operators do not exactly match standard ones on grid graphs, and introduce unwanted additional invariance (e.g. with regards to rotations). We propose a novel approach to generalize CNNs to irregular domains using weight sharing and graph-based operators. Using experiments, we show that these models resemble CNNs on regular domains and offer better performance than multilayer perceptrons on distorded ones. We propose a generalization of convolutional neural networks (CNNs) to irregular domains, through the use of an inferred graph structure. In more details, we introduce a three-step methodology to create convolutional layers that are adapted to the signals to process: 1) From a training set of signals, infer a graph representing the topology on which they evolve; 2) Identify translation operators in the vertex domain; 3) Emulate a convolution operator by translating a localized kernel on the graph. Using these layers, a convolutional neural network is built, and is trained on the initial signals to perform a classification task. Contributions are twofold. First, we adapt a definition of translations on graphs to make them more robust to irregularities, and to take into account locality of the kernel. Second, we introduce a procedure to build CNNs from data. We apply our methodology on a scrambled version of the CIFAR-10 and Haxby datasets. Without using any knowledge on the signals, we significantly outperform existing methods. Moreover, our approach extends classical CNNs on images in the sense that such networks are a particular case of our approach when the inferred graph is a grid. Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already been described in the literature. These models learn a message passing algorithm and aggregation procedure to compute a function of their entire input graph. At this point, the next step is to find a particularly effective variant of this general approach and apply it to chemical prediction benchmarks until we either solve them or reach the limits of the approach. In this paper, we reformulate existing models into a single common framework we call Message Passing Neural Networks (MPNNs) and explore additional novel variations within this framework. Using MPNNs we demonstrate state of the art results on an important molecular property prediction benchmark; these results are strong enough that we believe future work should focus on datasets with larger molecules or more accurate ground truth labels. This paper introduces a generalization of Convolutional Neural Networks (CNNs) to graphs with irregular linkage structures, especially heterogeneous graphs with typed nodes and schemas. We propose a novel spatial convolution operation to model the key properties of local connectivity and translation invariance, using high-order connection patterns or motifs. We develop a novel deep architecture Motif-CNN that employs an attention model to combine the features extracted from multiple patterns, thus effectively capturing high-order structural and feature information. Our experiments on semi-supervised node classification on real-world social networks and multiple representative heterogeneous graph datasets indicate significant gains of 6-21 over existing graph CNNs and other state-of-the-art techniques. Deep learning has achieved a remarkable performance breakthrough in several fields, most notably in speech recognition, natural language processing, and computer vision. In particular, convolutional neural network (CNN) architectures currently produce state-of-the-art performance on a variety of image analysis tasks such as object detection and recognition. Most of deep learning research has so far focused on dealing with 1D, 2D, or 3D Euclidean-structured data such as acoustic signals, images, or videos. Recently, there has been an increasing interest in geometric deep learning, attempting to generalize deep learning methods to non-Euclidean structured data such as graphs and manifolds, with a variety of applications from the domains of network analysis, computational social science, or computer graphics. In this paper, we propose a unified framework allowing to generalize CNN architectures to non-Euclidean domains (graphs and manifolds) and learn local, stationary, and compositional task-specific features. We show that various non-Euclidean CNN methods previously proposed in the literature can be considered as particular instances of our framework. We test the proposed method on standard tasks from the realms of image-, graph-and 3D shape analysis and show that it consistently outperforms previous approaches. We propose a simple and generic layer formulation that extends the properties of convolutional layers to any domain that can be described by a graph. Namely, we use the support of its adjacency matrix to design learnable weight sharing filters able to exploit the underlying structure of signals in the same fashion as for images. The proposed formulation makes it possible to learn the weights of the filter as well as a scheme that controls how they are shared across the graph. We perform validation experiments with image datasets and show that these filters offer performances comparable with convolutional ones. 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