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Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture. It is because the performance of a GNN architecture is significantly affected by the choice of graph convolution components, such as aggregate function and hidden dimension. Neural architecture search (NAS) has shown its potential in discovering effective deep architectures for learning tasks in image and language modeling. However, existing NAS algorithms cannot be directly applied to the GNN search problem. First, the search space of GNN is different from the ones in existing NAS work. Second, the representation learning capacity of GNN architecture changes obviously with slight architecture modifications. It affects the search efficiency of traditional search methods. Third, widely used techniques in NAS such as parameter sharing might become unstable in GNN. To bridge the gap, we propose the automated graph neural networks (AGNN) framework, which aims to find an optimal GNN architecture within a predefined search space. A reinforcement learning based controller is designed to greedily validate architectures via small steps. AGNN has a novel parameter sharing strategy that enables homogeneous architectures to share parameters, based on a carefully-designed homogeneity definition. Experiments on real-world benchmark datasets demonstrate that the GNN architecture identified by AGNN achieves the best performance, comparing with existing handcrafted models and tradistional search methods.

Outlier detection is an important topic in machine learning and has been used in a wide range of applications. In this paper, we approach outlier detection as a binary-classification issue by sampling potential outliers from a uniform reference distribution. However, due to the sparsity of data in high-dimensional space, a limited number of potential outliers may fail to provide sufficient information to assist the classifier in describing a boundary that can separate outliers from normal data effectively. To address this, we propose a novel Single-Objective Generative Adversarial Active Learning (SO-GAAL) method for outlier detection, which can directly generate informative potential outliers based on the mini-max game between a generator and a discriminator. Moreover, to prevent the generator from falling into the mode collapsing problem, the stop node of training should be determined when SO-GAAL is able to provide sufficient information. But without any prior information, it is extremely difficult for SO-GAAL. Therefore, we expand the network structure of SO-GAAL from a single generator to multiple generators with different objectives (MO-GAAL), which can generate a reasonable reference distribution for the whole dataset. We empirically compare the proposed approach with several state-of-the-art outlier detection methods on both synthetic and real-world datasets. The results show that MO-GAAL outperforms its competitors in the majority of cases, especially for datasets with various cluster types or high irrelevant variable ratio.

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 that a model learns 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 graph convolutional network (GCN) and 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 describe how to apply image-to-image translation techniques to medical blood smear data to generate new data samples and meaningfully increase small datasets. Specifically, given the segmentation mask of the microscopy image, we are able to generate photorealistic images of blood cells which are further used alongside real data during the network training for segmentation and object detection tasks. This image data generation approach is based on conditional generative adversarial networks which have proven capabilities to high-quality image synthesis. In addition to synthesizing blood images, we synthesize segmentation mask as well which leads to a diverse variety of generated samples. The effectiveness of the technique is thoroughly analyzed and quantified through a number of experiments on a manually collected and annotated dataset of blood smear taken under a microscope.

Deep Convolutional Neural Networks (CNNs) are a special type of Neural Networks, which have shown state-of-the-art results on various competitive benchmarks. The powerful learning ability of deep CNN is largely achieved with the use of multiple non-linear feature extraction stages that can automatically learn hierarchical representation from the data. Availability of a large amount of data and improvements in the hardware processing units have accelerated the research in CNNs and recently very interesting deep CNN architectures are reported. The recent race in deep CNN architectures for achieving high performance on the challenging benchmarks has shown that the innovative architectural ideas, as well as parameter optimization, can improve the CNN performance on various vision-related tasks. In this regard, different ideas in the CNN design have been explored such as use of different activation and loss functions, parameter optimization, regularization, and restructuring of processing units. However, the major improvement in representational capacity is achieved by the restructuring of the processing units. Especially, the idea of using a block as a structural unit instead of a layer is gaining substantial appreciation. This survey thus focuses on the intrinsic taxonomy present in the recently reported CNN architectures and consequently, classifies the recent innovations in CNN architectures into seven different categories. These seven categories are based on spatial exploitation, depth, multi-path, width, feature map exploitation, channel boosting and attention. Additionally, it covers the elementary understanding of the CNN components and sheds light on the current challenges and applications of CNNs.

Generic object detection, aiming at locating object instances from a large number of predefined categories in natural images, is one of the most fundamental and challenging problems in computer vision. Deep learning techniques have emerged in recent years as powerful methods for learning feature representations directly from data, and have led to remarkable breakthroughs in the field of generic object detection. Given this time of rapid evolution, the goal of this paper is to provide a comprehensive survey of the recent achievements in this field brought by deep learning techniques. More than 250 key contributions are included in this survey, covering many aspects of generic object detection research: leading detection frameworks and fundamental subproblems including object feature representation, object proposal generation, context information modeling and training strategies; evaluation issues, specifically benchmark datasets, evaluation metrics, and state of the art performance. We finish by identifying promising directions for future research.

Automatic neural architecture design has shown its potential in discovering powerful neural network architectures. Existing methods, no matter based on reinforcement learning or evolutionary algorithms (EA), conduct architecture search in a discrete space, which is highly inefficient. In this paper, we propose a simple and efficient method to automatic neural architecture design based on continuous optimization. We call this new approach neural architecture optimization (NAO). There are three key components in our proposed approach: (1) An encoder embeds/maps neural network architectures into a continuous space. (2) A predictor takes the continuous representation of a network as input and predicts its accuracy. (3) A decoder maps a continuous representation of a network back to its architecture. The performance predictor and the encoder enable us to perform gradient based optimization in the continuous space to find the embedding of a new architecture with potentially better accuracy. Such a better embedding is then decoded to a network by the decoder. Experiments show that the architecture discovered by our method is very competitive for image classification task on CIFAR-10 and language modeling task on PTB, outperforming or on par with the best results of previous architecture search methods with a significantly reduction of computational resources. Specifically we obtain $2.07\%$ test set error rate for CIFAR-10 image classification task and $55.9$ test set perplexity of PTB language modeling task. The best discovered architectures on both tasks are successfully transferred to other tasks such as CIFAR-100 and WikiText-2.

Deep Learning has enabled remarkable progress over the last years on a variety of tasks, such as image recognition, speech recognition, and machine translation. One crucial aspect for this progress are novel neural architectures. Currently employed architectures have mostly been developed manually by human experts, which is a time-consuming and error-prone process. Because of this, there is growing interest in automated neural architecture search methods. We provide an overview of existing work in this field of research and categorize them according to three dimensions: search space, search strategy, and performance estimation strategy.

A vexing problem in artificial intelligence is reasoning about events that occur in complex, changing visual stimuli such as in video analysis or game play. Inspired by a rich tradition of visual reasoning and memory in cognitive psychology and neuroscience, we developed an artificial, configurable visual question and answer dataset (COG) to parallel experiments in humans and animals. COG is much simpler than the general problem of video analysis, yet it addresses many of the problems relating to visual and logical reasoning and memory -- problems that remain challenging for modern deep learning architectures. We additionally propose a deep learning architecture that performs competitively on other diagnostic VQA datasets (i.e. CLEVR) as well as easy settings of the COG dataset. However, several settings of COG result in datasets that are progressively more challenging to learn. After training, the network can zero-shot generalize to many new tasks. Preliminary analyses of the network architectures trained on COG demonstrate that the network accomplishes the task in a manner interpretable to humans.

Modeling and generating graphs is fundamental for studying networks in biology, engineering, and social sciences. However, modeling complex distributions over graphs and then efficiently sampling from these distributions is challenging due to the non-unique, high-dimensional nature of graphs and the complex, non-local dependencies that exist between edges in a given graph. Here we propose GraphRNN, a deep autoregressive model that addresses the above challenges and approximates any distribution of graphs with minimal assumptions about their structure. GraphRNN learns to generate graphs by training on a representative set of graphs and decomposes the graph generation process into a sequence of node and edge formations, conditioned on the graph structure generated so far. In order to quantitatively evaluate the performance of GraphRNN, we introduce a benchmark suite of datasets, baselines and novel evaluation metrics based on Maximum Mean Discrepancy, which measure distances between sets of graphs. Our experiments show that GraphRNN significantly outperforms all baselines, learning to generate diverse graphs that match the structural characteristics of a target set, while also scaling to graphs 50 times larger than previous deep models.