One characteristic that sets humans apart from modern learning-based computer vision algorithms is the ability to acquire knowledge about the world and use that knowledge to reason about the visual world. Humans can learn about the characteristics of objects and the relationships that occur between them to learn a large variety of visual concepts, often with few examples. This paper investigates the use of structured prior knowledge in the form of knowledge graphs and shows that using this knowledge improves performance on image classification. We build on recent work on end-to-end learning on graphs, introducing the Graph Search Neural Network as a way of efficiently incorporating large knowledge graphs into a vision classification pipeline. We show in a number of experiments that our method outperforms standard neural network baselines for multi-label classification.
Li and Zemel present Graph Gated Neural Networks (GGNN) @cite_37 which uses neural networks on graph structured data. This paper (an extension of Graph Neural Networks @cite_30 ) serves as the foundation for our Graph Search Neural Network (GSNN). Several papers have found success using variants of Graph Neural Networks applied to various simple domains such as quantitative structure-property relationship (QSPR) analysis in chemistry @cite_39 and subgraph matching and other graph problems on toy datasets @cite_42 . GGNN is a fully end-to-end network that takes as input a directed graph and outputs either a classification over the entire graph or an output for each node. For instance, for the problem of graph reachability, GGNN is given a graph, a start node and end node, and the GGNN will have to output whether the end node is reachable from the start node. They show results for logical tasks on graphs and more complex tasks such as program verification.
@cite_30 @cite_37 @cite_42 @cite_39
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Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics system, learning molecular fingerprints, predicting protein interface, and classifying diseases require 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 tree of sentences and the scene graph of images, is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are connectionist models that capture the dependence of graphs via message passing between the nodes of graphs. Unlike standard neural networks, graph neural networks retain a state that can represent information from its neighborhood with arbitrary depth. Although the primitive GNNs have been found difficult to train for a fixed point, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful learning with them. In recent years, systems based on variants of graph neural networks such as graph convolutional network (GCN), graph attention network (GAT), gated graph neural network (GGNN) have demonstrated ground-breaking performance on many tasks mentioned above. In this survey, we provide a detailed review over existing graph neural network models, systematically categorize the applications, and propose four open problems for future research. In this paper, we will consider the approximation properties of a recently introduced neural network model called graph neural network (GNN), which can be used to process-structured data inputs, e.g., acyclic graphs, cyclic graphs, and directed or undirected graphs. This class of neural networks implements a function tau(G, n) isin R m that maps a graph G and one of its nodes n onto an m-dimensional Euclidean space. We characterize the functions that can be approximated by GNNs, in probability, up to any prescribed degree of precision. This set contains the maps that satisfy a property called preservation of the unfolding equivalence, and includes most of the practically useful functions on graphs; the only known exception is when the input graph contains particular patterns of symmetries when unfolding equivalence may not be preserved. The result can be considered an extension of the universal approximation property established for the classic feedforward neural networks (FNNs). Some experimental examples are used to show the computational capabilities of the proposed model. Graph-structured data is important in modeling relationships between multiple entities, and can be used to represent states of the world as well as many data structures. (2016) describe a model known as a Gated Graph Sequence Neural Network (GGS-NN) that produces sequences from graph-structured input. In this work I introduce the Gated Graph Transformer Neural Network (GGT-NN), an extension of GGS-NNs that uses graph-structured data as an intermediate representation. The model can learn to construct and modify graphs in sophisticated ways based on textual input, and also to use the graphs to produce a variety of outputs. For example, the model successfully learns to solve almost all of the bAbI tasks (, 2016), and also discovers the rules governing graphical formulations of a simple cellular automaton and a family of Turing machines. Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10 accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark datasets. Many underlying relationships among data in several areas of science and engineering, e.g., computer vision, molecular chemistry, molecular biology, pattern recognition, and data mining, can be represented in terms of graphs. In this paper, we propose a new neural network model, called graph neural network (GNN) model, that extends existing neural network methods for processing the data represented in graph domains. This GNN model, which can directly process most of the practically useful types of graphs, e.g., acyclic, cyclic, directed, and undirected, implements a function tau(G,n) isin IRm that maps a graph G and one of its nodes n into an m-dimensional Euclidean space. A supervised learning algorithm is derived to estimate the parameters of the proposed GNN model. The computational cost of the proposed algorithm is also considered. Some experimental results are shown to validate the proposed learning algorithm, and to demonstrate its generalization capabilities. Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10 accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets. In several applications the information is naturally represented by graphs. Traditional approaches cope with graphical data structures using a preprocessing phase which transforms the graphs into a set of flat vectors. However, in this way, important topological information may be lost and the achieved results may heavily depend on the preprocessing stage. This paper presents a new neural model, called graph neural network (GNN), capable of directly processing graphs. GNNs extends recursive neural networks and can be applied on most of the practically useful kinds of graphs, including directed, undirected, labelled and cyclic graphs. A learning algorithm for GNNs is proposed and some experiments are discussed which assess the properties of the model. Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs to capture different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance. Since the machine learning techniques are improving rapidly, it has been shown that the image recognition techniques in deep neural networks can be used to detect jet substructure. And it turns out that deep neural networks can match or outperform traditional approach of expert features. However, there are disadvantages such as sparseness of jet images. Based on the natural tree-like structure of jet sequential clustering, the recursive neural networks (RecNNs), which embed jet clustering history recursively as in natural language processing, have a better behavior when confronted with these problems. We thus try to explore the performance of RecNN in quark gluon discrimination. In order to indicate the realistic potential at the LHC, We include the detector simulation in our data preparation. We attempt to implement particle flow identification in one-hot vectors or using instead a recursively defined pt-weighted charge. The results show that RecNNs work better than the baseline BDT by a few percent in gluon rejection at the working point of 50 quark acceptance. However, extra implementation of particle flow identification only increases the performance slightly. We also experimented on some relevant aspects which might influence the performance of networks. It shows even only particle flow identification as input feature without any extra information on momentum or angular position is already giving a fairly good result, which indicates that most of the information for q g discrimination is already included in the tree-structure itself. As a bonus, a rough u d discrimination is also explored. Graph-structured data appears frequently in domains including chemistry, natural language semantics, social networks, and knowledge bases. In this work, we study feature learning techniques for graph-structured inputs. Our starting point is previous work on Graph Neural Networks (, 2009), which we modify to use gated recurrent units and modern optimization techniques and then extend to output sequences. The result is a flexible and broadly useful class of neural network models that has favorable inductive biases relative to purely sequence-based models (e.g., LSTMs) when the problem is graph-structured. We demonstrate the capabilities on some simple AI (bAbI) and graph algorithm learning tasks. We then show it achieves state-of-the-art performance on a problem from program verification, in which subgraphs need to be matched to abstract data structures. Graph-structured data appears frequently in domains including chemistry, natural language semantics, social networks, and knowledge bases. In this work, we study feature learning techniques for graph-structured inputs. Our starting point is previous work on Graph Neural Networks (, 2009), which we modify to use gated recurrent units and modern optimization techniques and then extend to output sequences. The result is a flexible and broadly useful class of neural network models that has favorable inductive biases relative to purely sequence-based models (e.g., LSTMs) when the problem is graph-structured. We demonstrate the capabilities on some simple AI (bAbI) and graph algorithm learning tasks. We then show it achieves state-of-the-art performance on a problem from program verification, in which subgraphs need to be matched to abstract data structures. In this paper, we present a hypergraph neural networks (HGNN) framework for data representation learning, which can encode high-order data correlation in a hypergraph structure. Confronting the challenges of learning representation for complex data in real practice, we propose to incorporate such data structure in a hypergraph, which is more flexible on data modeling, especially when dealing with complex data. In this method, a hyperedge convolution operation is designed to handle the data correlation during representation learning. In this way, traditional hypergraph learning procedure can be conducted using hyperedge convolution operations efficiently. HGNN is able to learn the hidden layer representation considering the high-order data structure, which is a general framework considering the complex data correlations. We have conducted experiments on citation network classification and visual object recognition tasks and compared HGNN with graph convolutional networks and other traditional methods. Experimental results demonstrate that the proposed HGNN method outperforms recent state-of-theart methods. We can also reveal from the results that the proposed HGNN is superior when dealing with multi-modal data compared with existing methods. Two architectures that generalize convolutional neural networks (CNNs) for the processing of signals supported on graphs are introduced. We start with the selection graph neural network (GNN), which replaces linear time invariant filters with linear shift invariant graph filters to generate convolutional features and reinterprets pooling as a possibly nonlinear subsampling stage where nearby nodes pool their information in a set of preselected sample nodes. A key component of the architecture is to remember the position of sampled nodes to permit computation of convolutional features at deeper layers. The second architecture, dubbed aggregation GNN, diffuses the signal through the graph and stores the sequence of diffused components observed by a designated node. This procedure effectively aggregates all components into a stream of information having temporal structure to which the convolution and pooling stages of regular CNNs can be applied. A multinode version of aggregation GNNs is further introduced for operation in large-scale graphs. An important property of selection and aggregation GNNs is that they reduce to conventional CNNs when particularized to time signals reinterpreted as graph signals in a circulant graph. Comparative numerical analyses are performed in a source localization application over synthetic and real-world networks. Performance is also evaluated for an authorship attribution problem and text category classification. Multinode aggregation GNNs are consistently the best-performing GNN architecture. Generating high-resolution, photo-realistic images has been a long-standing goal in machine learning. Recently, [37] showed one interesting way to synthesize novel images by performing gradient ascent in the latent space of a generator network to maximize the activations of one or multiple neurons in a separate classifier network. In this paper we extend this method by introducing an additional prior on the latent code, improving both sample quality and sample diversity, leading to a state-of-the-art generative model that produces high quality images at higher resolutions (227 &#xd7; 227) than previous generative models, and does so for all 1000 ImageNet categories. In addition, we provide a unified probabilistic interpretation of related activation maximization methods and call the general class of models Plug and Play Generative Networks. PPGNs are composed of 1) a generator network G that is capable of drawing a wide range of image types and 2) a replaceable condition network C that tells the generator what to draw. We demonstrate the generation of images conditioned on a class (when C is an ImageNet or MIT Places classification network) and also conditioned on a caption (when C is an image captioning network). Our method also improves the state of the art of Multifaceted Feature Visualization [40], which generates the set of synthetic inputs that activate a neuron in order to better understand how deep neural networks operate. Finally, we show that our model performs reasonably well at the task of image inpainting. While image models are used in this paper, the approach is modality-agnostic and can be applied to many types of data. Abstract Although deep neural networks (DNNs) are being a revolutionary power to open up the AI era, the notoriously huge hardware overhead has challenged their applications. Recently, several binary and ternary networks, in which the costly multiply-accumulate operations can be replaced by accumulations or even binary logic operations, make the on-chip training of DNNs quite promising. Therefore there is a pressing need to build an architecture that could subsume these networks under a unified framework that achieves both higher performance and less overhead. To this end, two fundamental issues are yet to be addressed. The first one is how to implement the back propagation when neuronal activations are discrete. The second one is how to remove the full-precision hidden weights in the training phase to break the bottlenecks of memory computation consumption. To address the first issue, we present a multi-step neuronal activation discretization method and a derivative approximation technique that enable the implementing the back propagation algorithm on discrete DNNs. While for the second issue, we propose a discrete state transition (DST) methodology to constrain the weights in a discrete space without saving the hidden weights. Through this way, we build a unified framework that subsumes the binary or ternary networks as its special cases, and under which a heuristic algorithm is provided at the website https: github.com AcrossV Gated-XNOR . More particularly, we find that when both the weights and activations become ternary values, the DNNs can be reduced to sparse binary networks, termed as gated XNOR networks (GXNOR-Nets) since only the event of non-zero weight and non-zero activation enables the control gate to start the XNOR logic operations in the original binary networks. This promises the event-driven hardware design for efficient mobile intelligence. We achieve advanced performance compared with state-of-the-art algorithms. Furthermore, the computational sparsity and the number of states in the discrete space can be flexibly modified to make it suitable for various hardware platforms. Recent advancements in deep neural networks for graph-structured data have led to state-of-the-art performance on recommender system benchmarks. However, making these methods practical and scalable to web-scale recommendation tasks with billions of items and hundreds of millions of users remains an unsolved challenge. Here we describe a large-scale deep recommendation engine that we developed and deployed at Pinterest. We develop a data-efficient Graph Convolutional Network (GCN) algorithm, which combines efficient random walks and graph convolutions to generate embeddings of nodes (i.e., items) that incorporate both graph structure as well as node feature information. Compared to prior GCN approaches, we develop a novel method based on highly efficient random walks to structure the convolutions and design a novel training strategy that relies on harder-and-harder training examples to improve robustness and convergence of the model. We also develop an efficient MapReduce model inference algorithm to generate embeddings using a trained model. Overall, we can train on and embed graphs that are four orders of magnitude larger than typical GCN implementations. We show how GCN embeddings can be used to make high-quality recommendations in various settings at Pinterest, which has a massive underlying graph with 3 billion nodes representing pins and boards, and 17 billion edges. According to offline metrics, user studies, as well as A B tests, our approach generates higher-quality recommendations than comparable deep learning based systems. To our knowledge, this is by far the largest application of deep graph embeddings to date and paves the way for a new generation of web-scale recommender systems based on graph convolutional architectures. We propose a new network architecture, Gated Attention Networks (GaAN), for learning on graphs. Unlike the traditional multi-head attention mechanism, which equally consumes all attention heads, GaAN uses a convolutional sub-network to control each attention head's importance. We demonstrate the effectiveness of GaAN on the inductive node classification problem. Moreover, with GaAN as a building block, we construct the Graph Gated Recurrent Unit (GGRU) to address the traffic speed forecasting problem. Extensive experiments on three real-world datasets show that our GaAN framework achieves state-of-the-art results on both tasks. Graph Convolutional Networks (GCNs) have shown significant improvements in semi-supervised learning on graph-structured data. Concurrently, unsupervised learning of graph embeddings has benefited from the information contained in random walks. In this paper, we propose a model: Network of GCNs (N-GCN), which marries these two lines of work. At its core, N-GCN trains multiple instances of GCNs over node pairs discovered at different distances in random walks, and learns a combination of the instance outputs which optimizes the classification objective. Our experiments show that our proposed N-GCN model improves state-of-the-art baselines on all of the challenging node classification tasks we consider: Cora, Citeseer, Pubmed, and PPI. In addition, our proposed method has other desirable properties, including generalization to recently proposed semi-supervised learning methods such as GraphSAGE, allowing us to propose N-SAGE, and resilience to adversarial input perturbations. Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic extraction of high-level features. The computation with filters requires a fixed number of ordered units in the receptive fields. However, the number of neighboring units is neither fixed nor are they ordered in generic graphs, thereby hindering the applications of convolutional operations. Here, we address these challenges by proposing the learnable graph convolutional layer (LGCL). LGCL automatically selects a fixed number of neighboring nodes for each feature based on value ranking in order to transform graph data into grid-like structures in 1-D format, thereby enabling the use of regular convolutional operations on generic graphs. To enable model training on large-scale graphs, we propose a sub-graph training method to reduce the excessive memory and computational resource requirements suffered by prior methods on graph convolutions. Our experimental results on node classification tasks in both transductive and inductive learning settings demonstrate that our methods can achieve consistently better performance on the Cora, Citeseer, Pubmed citation network, and protein-protein interaction network datasets. Our results also indicate that the proposed methods using sub-graph training strategy are more efficient as compared to prior approaches. Graph Convolutional Neural Networks (GCNNs) are the most recent exciting advancement in deep learning field and their applications are quickly spreading in multi-cross-domains including bioinformatics, chemoinformatics, social networks, natural language processing and computer vision. In this paper, we expose and tackle some of the basic weaknesses of a GCNN model with a capsule idea presented in hinton2011transforming and propose our Graph Capsule Network (GCAPS-CNN) model. In addition, we design our GCAPS-CNN model to solve especially graph classification problem which current GCNN models find challenging. Through extensive experiments, we show that our proposed Graph Capsule Network can significantly outperforms both the existing state-of-art deep learning methods and graph kernels on graph classification benchmark datasets.