We will review some of the major results in random graphs and some of the more challenging open problems. We will cover algorithmic and structural questions. We will touch on newer models, including those related to the WWW.

Random graphs

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications, where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on the existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this article, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art GNNs into four categories, namely, recurrent GNNs, convolutional GNNs, graph autoencoders, and spatial–temporal GNNs. We further discuss the applications of GNNs across various domains and summarize the open-source codes, benchmark data sets, and model evaluation of GNNs. Finally, we propose potential research directions in this rapidly growing field.

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A Comprehensive Survey on Graph Neural Networks

“Unpaired Image-to-Image Translation using Cycle-Consistent Adversarial Networks”の学習報告

Point clouds provide a flexible geometric representation suitable for countless applications in computer graphics; they also comprise the raw output of most 3D data acquisition devices. While hand-designed features on point clouds have long been proposed in graphics and vision, however, the recent overwhelming success of convolutional neural networks (CNNs) for image analysis suggests the value of adapting insight from CNN to the point cloud world. Point clouds inherently lack topological information, so designing a model to recover topology can enrich the representation power of point clouds. To this end, we propose a new neural network module dubbed EdgeConv suitable for CNN-based high-level tasks on point clouds, including classification and segmentation. EdgeConv acts on graphs dynamically computed in each layer of the network. It is differentiable and can be plugged into existing architectures. Compared to existing modules operating in extrinsic space or treating each point independently, EdgeConv has several appealing properties: It incorporates local neighborhood information; it can be stacked applied to learn global shape properties; and in multi-layer systems affinity in feature space captures semantic characteristics over potentially long distances in the original embedding. We show the performance of our model on standard benchmarks, including ModelNet40, ShapeNetPart, and S3DIS.

/pdf/dynamic-graph-cnn-for-learning-on-point-clouds-20wlcru9tg.pdf

Dynamic Graph CNN for Learning on Point Clouds

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures (like the dependency trees of sentences and the scene graphs of images) is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are neural models that capture the dependence of graphs via message passing between the nodes of graphs. In recent years, variants of GNNs such as graph convolutional network (GCN), graph attention network (GAT), graph recurrent network (GRN) have demonstrated ground-breaking performances on many deep learning tasks. In this survey, we propose a general design pipeline for GNN models and discuss the variants of each component, systematically categorize the applications, and propose four open problems for future research.

Graph Neural Networks: A Review of Methods and Applications

We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it contains a variety of recently published methods from the domains of relational learning and 3D data processing. PyTorch Geometric achieves high data throughput by leveraging sparse GPU acceleration, by providing dedicated CUDA kernels and by introducing efficient mini-batch handling for input examples of different size. In this work, we present the library in detail and perform a comprehensive comparative study of the implemented methods in homogeneous evaluation scenarios.

Fast Graph Representation Learning with PyTorch Geometric

In recent years, graph neural networks (GNNs) have emerged as a powerful neural architecture to learn vector representations of nodes and graphs in a supervised, end-to-end fashion. Up to now, GNNs have only been evaluated empirically—showing promising results. The following work investigates GNNs from a theoretical point of view and relates them to the 1-dimensional Weisfeiler-Leman graph isomorphism heuristic (1-WL). We show that GNNs have the same expressiveness as the 1-WL in terms of distinguishing non-isomorphic (sub-)graphs. Hence, both algorithms also have the same shortcomings. Based on this, we propose a generalization of GNNs, so-called k-dimensional GNNs (k-GNNs), which can take higher-order graph structures at multiple scales into account. These higher-order structures play an essential role in the characterization of social networks and molecule graphs. Our experimental evaluation confirms our theoretical findings as well as confirms that higher-order information is useful in the task of graph classification and regression.

/pdf/weisfeiler-and-leman-go-neural-higher-order-graph-neural-3vyxn0odcz.pdf

Weisfeiler and Leman Go Neural: Higher-Order Graph Neural Networks

In recent years, graph neural networks (GNNs) have emerged as a powerful neural architecture to learn vector representations of nodes and graphs in a supervised, end-to-end fashion. Up to now, GNNs have only been evaluated empirically---showing promising results. The following work investigates GNNs from a theoretical point of view and relates them to the $1$-dimensional Weisfeiler-Leman graph isomorphism heuristic ($1$-WL). We show that GNNs have the same expressiveness as the $1$-WL in terms of distinguishing non-isomorphic (sub-)graphs. Hence, both algorithms also have the same shortcomings. Based on this, we propose a generalization of GNNs, so-called $k$-dimensional GNNs ($k$-GNNs), which can take higher-order graph structures at multiple scales into account. These higher-order structures play an essential role in the characterization of social networks and molecule graphs. Our experimental evaluation confirms our theoretical findings as well as confirms that higher-order information is useful in the task of graph classification and regression.

Weisfeiler and Leman Go Neural: Higher-order Graph Neural Networks

We present Spline-based Convolutional Neural Networks (SplineCNNs), a variant of deep neural networks for irregular structured and geometric input, e.g., graphs or meshes. Our main contribution is a novel convolution operator based on B-splines, that makes the computation time independent from the kernel size due to the local support property of the B-spline basis functions. As a result, we obtain a generalization of the traditional CNN convolution operator by using continuous kernel functions parametrized by a fixed number of trainable weights. In contrast to related approaches that filter in the spectral domain, the proposed method aggregates features purely in the spatial domain. In addition, SplineCNN allows entire end-to-end training of deep architectures, using only the geometric structure as input, instead of handcrafted feature descriptors. For validation, we apply our method on tasks from the fields of image graph classification, shape correspondence and graph node classification, and show that it outperforms or pars state-of-the-art approaches while being significantly faster and having favorable properties like domain-independence. Our source code is available on GitHub1.

/pdf/splinecnn-fast-geometric-deep-learning-with-continuous-b-4xlh5ritjg.pdf

SplineCNN: Fast Geometric Deep Learning with Continuous B-Spline Kernels

Efficiently reconstructing complex and intricate surfaces at scale is a long-standing goal in machine perception. To address this problem we introduce Deep Local Shapes (DeepLS), a deep shape representation that enables encoding and reconstruction of high-quality 3D shapes without prohibitive memory requirements. DeepLS replaces the dense volumetric signed distance function (SDF) representation used in traditional surface reconstruction systems with a set of locally learned continuous SDFs defined by a neural network, inspired by recent work such as DeepSDF. Unlike DeepSDF, which represents an object-level SDF with a neural network and a single latent code, we store a grid of independent latent codes, each responsible for storing information about surfaces in a small local neighborhood. This decomposition of scenes into local shapes simplifies the prior distribution that the network must learn, and also enables efficient inference. We demonstrate the effectiveness and generalization power of DeepLS by showing object shape encoding and reconstructions of full scenes, where DeepLS delivers high compression, accuracy, and local shape completion.

Jan Eric Lenssen

Papers

Fast Graph Representation Learning with PyTorch Geometric

Weisfeiler and Leman Go Neural: Higher-Order Graph Neural Networks

Weisfeiler and Leman Go Neural: Higher-order Graph Neural Networks

SplineCNN: Fast Geometric Deep Learning with Continuous B-Spline Kernels

Deep Local Shapes: Learning Local SDF Priors for Detailed 3D Reconstruction