A hypergraph is a generalization of a graph that arises naturally when attribute-sharing among entities is considered. Compared to graphs, hypergraphs have the distinct advantage that they contain explicit communities and are more convenient to manipulate. An open problem in hypergraph research is how to accurately and efficiently calculate node distances on hypergraphs. Estimating node distances enables us to find a node's nearest neighbors, which has important applications in such areas as recommender system, targeted ads, etc. In this paper, we propose using expected hitting times of random walks to compute hypergraph node distances. We note that simple random walks (SRW) cannot accurately compute node distances on highly complex real-world hypergraphs, which motivates us to introduce frustrated random walks (FRW) for this task. We further benchmark our method against DeepWalk, and show that while the latter can achieve comparable results, FRW has a distinct computational advantage in cases where the number of targets is fairly small. For such cases, we show that FRW runs in significantly shorter time than DeepWalk. Finally, we analyze the time complexity of our method, and show that for large and sparse hypergraphs, the complexity is approximately linear, rendering it superior to the DeepWalk alternative.
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Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the attributes and/or structures of the graph. In recent years, graph neural networks (GNNs) have been studied extensively and have successfully performed difficult machine learning tasks in node classification, link prediction, and graph classification thanks to the highly expressive capability via message passing in effectively learning graph representations. To solve the graph anomaly detection problem, GNN-based methods leverage information about the graph attributes (or features) and/or structures to learn to score anomalies appropriately. In this survey, we review the recent advances made in detecting graph anomalies using GNN models. Specifically, we summarize GNN-based methods according to the graph type (i.e., static and dynamic), the anomaly type (i.e., node, edge, subgraph, and whole graph), and the network architecture (e.g., graph autoencoder, graph convolutional network). To the best of our knowledge, this survey is the first comprehensive review of graph anomaly detection methods based on GNNs.
The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
As an effective strategy, data augmentation (DA) alleviates data scarcity scenarios where deep learning techniques may fail. It is widely applied in computer vision then introduced to natural language processing and achieves improvements in many tasks. One of the main focuses of the DA methods is to improve the diversity of training data, thereby helping the model to better generalize to unseen testing data. In this survey, we frame DA methods into three categories based on the diversity of augmented data, including paraphrasing, noising, and sampling. Our paper sets out to analyze DA methods in detail according to the above categories. Further, we also introduce their applications in NLP tasks as well as the challenges.
Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful prediction of molecule property by GNNs is the scarcity of labeled data. Though graph contrastive learning (GCL) methods have achieved extraordinary performance with insufficient labeled data, most focused on designing data augmentation schemes for general graphs. However, the fundamental property of a molecule could be altered with the augmentation method (like random perturbation) on molecular graphs. Whereas, the critical geometric information of molecules remains rarely explored under the current GNN and GCL architectures. To this end, we propose a novel graph contrastive learning method utilizing the geometry of the molecule across 2D and 3D views, which is named GeomGCL. Specifically, we first devise a dual-view geometric message passing network (GeomMPNN) to adaptively leverage the rich information of both 2D and 3D graphs of a molecule. The incorporation of geometric properties at different levels can greatly facilitate the molecular representation learning. Then a novel geometric graph contrastive scheme is designed to make both geometric views collaboratively supervise each other to improve the generalization ability of GeomMPNN. We evaluate GeomGCL on various downstream property prediction tasks via a finetune process. Experimental results on seven real-life molecular datasets demonstrate the effectiveness of our proposed GeomGCL against state-of-the-art baselines.
Generalization to out-of-distribution (OOD) data is a capability natural to humans yet challenging for machines to reproduce. This is because most learning algorithms strongly rely on the i.i.d.~assumption on source/target data, which is often violated in practice due to domain shift. Domain generalization (DG) aims to achieve OOD generalization by using only source data for model learning. Since first introduced in 2011, research in DG has made great progresses. In particular, intensive research in this topic has led to a broad spectrum of methodologies, e.g., those based on domain alignment, meta-learning, data augmentation, or ensemble learning, just to name a few; and has covered various vision applications such as object recognition, segmentation, action recognition, and person re-identification. In this paper, for the first time a comprehensive literature review is provided to summarize the developments in DG for computer vision over the past decade. Specifically, we first cover the background by formally defining DG and relating it to other research fields like domain adaptation and transfer learning. Second, we conduct a thorough review into existing methods and present a categorization based on their methodologies and motivations. Finally, we conclude this survey with insights and discussions on future research directions.
Domain generalization (DG), i.e., out-of-distribution generalization, has attracted increased interests in recent years. Domain generalization deals with a challenging setting where one or several different but related domain(s) are given, and the goal is to learn a model that can generalize to an unseen test domain. For years, great progress has been achieved. This paper presents the first review for recent advances in domain generalization. First, we provide a formal definition of domain generalization and discuss several related fields. Next, we thoroughly review the theories related to domain generalization and carefully analyze the theory behind generalization. Then, we categorize recent algorithms into three classes and present them in detail: data manipulation, representation learning, and learning strategy, each of which contains several popular algorithms. Third, we introduce the commonly used datasets and applications. Finally, we summarize existing literature and present some potential research topics for the future.
Graph Neural Networks (GNNs) are widely used for analyzing graph-structured data. Most GNN methods are highly sensitive to the quality of graph structures and usually require a perfect graph structure for learning informative embeddings. However, the pervasiveness of noise in graphs necessitates learning robust representations for real-world problems. To improve the robustness of GNN models, many studies have been proposed around the central concept of Graph Structure Learning (GSL), which aims to jointly learn an optimized graph structure and corresponding representations. Towards this end, in the presented survey, we broadly review recent progress of GSL methods for learning robust representations. Specifically, we first formulate a general paradigm of GSL, and then review state-of-the-art methods classified by how they model graph structures, followed by applications that incorporate the idea of GSL in other graph tasks. Finally, we point out some issues in current studies and discuss future directions.
Traffic forecasting is an important factor for the success of intelligent transportation systems. Deep learning models including convolution neural networks and recurrent neural networks have been applied in traffic forecasting problems to model the spatial and temporal dependencies. In recent years, to model the graph structures in the transportation systems as well as the contextual information, graph neural networks (GNNs) are introduced as new tools and have achieved the state-of-the-art performance in a series of traffic forecasting problems. In this survey, we review the rapidly growing body of recent research using different GNNs, e.g., graph convolutional and graph attention networks, in various traffic forecasting problems, e.g., road traffic flow and speed forecasting, passenger flow forecasting in urban rail transit systems, demand forecasting in ride-hailing platforms, etc. We also present a collection of open data and source resources for each problem, as well as future research directions. To the best of our knowledge, this paper is the first comprehensive survey that explores the application of graph neural networks for traffic forecasting problems. We have also created a public Github repository to update the latest papers, open data and source resources.
Deep neural networks have been able to outperform humans in some cases like image recognition and image classification. However, with the emergence of various novel categories, the ability to continuously widen the learning capability of such networks from limited samples, still remains a challenge. Techniques like Meta-Learning and/or few-shot learning showed promising results, where they can learn or generalize to a novel category/task based on prior knowledge. In this paper, we perform a study of the existing few-shot meta-learning techniques in the computer vision domain based on their method and evaluation metrics. We provide a taxonomy for the techniques and categorize them as data-augmentation, embedding, optimization and semantics based learning for few-shot, one-shot and zero-shot settings. We then describe the seminal work done in each category and discuss their approach towards solving the predicament of learning from few samples. Lastly we provide a comparison of these techniques on the commonly used benchmark datasets: Omniglot, and MiniImagenet, along with a discussion towards the future direction of improving the performance of these techniques towards the final goal of outperforming humans.
Salient object detection is a fundamental problem and has been received a great deal of attentions in computer vision. Recently deep learning model became a powerful tool for image feature extraction. In this paper, we propose a multi-scale deep neural network (MSDNN) for salient object detection. The proposed model first extracts global high-level features and context information over the whole source image with recurrent convolutional neural network (RCNN). Then several stacked deconvolutional layers are adopted to get the multi-scale feature representation and obtain a series of saliency maps. Finally, we investigate a fusion convolution module (FCM) to build a final pixel level saliency map. The proposed model is extensively evaluated on four salient object detection benchmark datasets. Results show that our deep model significantly outperforms other 12 state-of-the-art approaches.
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