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Graph neural networks (GNNs) are powerful tools for performing data science tasks in various domains. Although we use GNNs in wide application scenarios, it is a laborious task for researchers and practitioners to design/select optimal GNN architectures in diverse graphs. To save human efforts and computational costs, graph neural architecture search (Graph NAS) has been used to search for a sub-optimal GNN architecture that combines existing components. However, there are no existing Graph NAS methods that satisfy explainability, efficiency, and adaptability to various graphs. Therefore, we propose an efficient and explainable Graph NAS method, called ExGNAS, which consists of (i) a simple search space that can adapt to various graphs and (ii) a search algorithm that makes the decision process explainable. The search space includes only fundamental functions that can handle homophilic and heterophilic graphs. The search algorithm efficiently searches for the best GNN architecture via Monte-Carlo tree search without neural models. The combination of our search space and algorithm achieves finding accurate GNN models and the important functions within the search space. We comprehensively evaluate our method compared with twelve hand-crafted GNN architectures and three Graph NAS methods in four graphs. Our experimental results show that ExGNAS increases AUC up to 3.6 and reduces run time up to 78\% compared with the state-of-the-art Graph NAS methods. Furthermore, we show ExGNAS is effective in analyzing the difference between GNN architectures in homophilic and heterophilic graphs.

Graph neural networks (GNNs) are a type of deep learning models that learning over graphs, and have been successfully applied in many domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to large graphs. As a remedy, distributed computing becomes a promising solution of training large-scale GNNs, since it is able to provide abundant computing resources. However, the dependency of graph structure increases the difficulty of achieving high-efficiency distributed GNN training, which suffers from the massive communication and workload imbalance. In recent years, many efforts have been made on distributed GNN training, and an array of training algorithms and systems have been proposed. Yet, there is a lack of systematic review on the optimization techniques from graph processing to distributed execution. In this survey, we analyze three major challenges in distributed GNN training that are massive feature communication, the loss of model accuracy and workload imbalance. Then we introduce a new taxonomy for the optimization techniques in distributed GNN training that address the above challenges. The new taxonomy classifies existing techniques into four categories that are GNN data partition, GNN batch generation, GNN execution model, and GNN communication protocol.We carefully discuss the techniques in each category. In the end, we summarize existing distributed GNN systems for multi-GPUs, GPU-clusters and CPU-clusters, respectively, and give a discussion about the future direction on scalable GNNs.

Deep learning has been the mainstream technique in natural language processing (NLP) area. However, the techniques require many labeled data and are less generalizable across domains. Meta-learning is an arising field in machine learning studying approaches to learn better learning algorithms. Approaches aim at improving algorithms in various aspects, including data efficiency and generalizability. Efficacy of approaches has been shown in many NLP tasks, but there is no systematic survey of these approaches in NLP, which hinders more researchers from joining the field. Our goal with this survey paper is to offer researchers pointers to relevant meta-learning works in NLP and attract more attention from the NLP community to drive future innovation. This paper first introduces the general concepts of meta-learning and the common approaches. Then we summarize task construction settings and application of meta-learning for various NLP problems and review the development of meta-learning in NLP community.

Deep neural networks (DNNs) have achieved unprecedented success in the field of artificial intelligence (AI), including computer vision, natural language processing and speech recognition. However, their superior performance comes at the considerable cost of computational complexity, which greatly hinders their applications in many resource-constrained devices, such as mobile phones and Internet of Things (IoT) devices. Therefore, methods and techniques that are able to lift the efficiency bottleneck while preserving the high accuracy of DNNs are in great demand in order to enable numerous edge AI applications. This paper provides an overview of efficient deep learning methods, systems and applications. We start from introducing popular model compression methods, including pruning, factorization, quantization as well as compact model design. To reduce the large design cost of these manual solutions, we discuss the AutoML framework for each of them, such as neural architecture search (NAS) and automated pruning and quantization. We then cover efficient on-device training to enable user customization based on the local data on mobile devices. Apart from general acceleration techniques, we also showcase several task-specific accelerations for point cloud, video and natural language processing by exploiting their spatial sparsity and temporal/token redundancy. Finally, to support all these algorithmic advancements, we introduce the efficient deep learning system design from both software and hardware perspectives.

Besides entity-centric knowledge, usually organized as Knowledge Graph (KG), events are also an essential kind of knowledge in the world, which trigger the spring up of event-centric knowledge representation form like Event KG (EKG). It plays an increasingly important role in many machine learning and artificial intelligence applications, such as intelligent search, question-answering, recommendation, and text generation. This paper provides a comprehensive survey of EKG from history, ontology, instance, and application views. Specifically, to characterize EKG thoroughly, we focus on its history, definitions, schema induction, acquisition, related representative graphs/systems, and applications. The development processes and trends are studied therein. We further summarize perspective directions to facilitate future research on EKG.

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.

Deep neural networks (DNNs) have become a proven and indispensable machine learning tool. As a black-box model, it remains difficult to diagnose what aspects of the model's input drive the decisions of a DNN. In countless real-world domains, from legislation and law enforcement to healthcare, such diagnosis is essential to ensure that DNN decisions are driven by aspects appropriate in the context of its use. The development of methods and studies enabling the explanation of a DNN's decisions has thus blossomed into an active, broad area of research. A practitioner wanting to study explainable deep learning may be intimidated by the plethora of orthogonal directions the field has taken. This complexity is further exacerbated by competing definitions of what it means ``to explain'' the actions of a DNN and to evaluate an approach's ``ability to explain''. This article offers a field guide to explore the space of explainable deep learning aimed at those uninitiated in the field. The field guide: i) Introduces three simple dimensions defining the space of foundational methods that contribute to explainable deep learning, ii) discusses the evaluations for model explanations, iii) places explainability in the context of other related deep learning research areas, and iv) finally elaborates on user-oriented explanation designing and potential future directions on explainable deep learning. We hope the guide is used as an easy-to-digest starting point for those just embarking on research in this field.

It has been shown that deep neural networks are prone to overfitting on biased training data. Towards addressing this issue, meta-learning employs a meta model for correcting the training bias. Despite the promising performances, super slow training is currently the bottleneck in the meta learning approaches. In this paper, we introduce a novel Faster Meta Update Strategy (FaMUS) to replace the most expensive step in the meta gradient computation with a faster layer-wise approximation. We empirically find that FaMUS yields not only a reasonably accurate but also a low-variance approximation of the meta gradient. We conduct extensive experiments to verify the proposed method on two tasks. We show our method is able to save two-thirds of the training time while still maintaining the comparable or achieving even better generalization performance. In particular, our method achieves the state-of-the-art performance on both synthetic and realistic noisy labels, and obtains promising performance on long-tailed recognition on standard benchmarks.

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.

Convolutional Neural Networks (CNNs) have gained significant traction in the field of machine learning, particularly due to their high accuracy in visual recognition. Recent works have pushed the performance of GPU implementations of CNNs to significantly improve their classification and training times. With these improvements, many frameworks have become available for implementing CNNs on both CPUs and GPUs, with no support for FPGA implementations. In this work we present a modified version of the popular CNN framework Caffe, with FPGA support. This allows for classification using CNN models and specialized FPGA implementations with the flexibility of reprogramming the device when necessary, seamless memory transactions between host and device, simple-to-use test benches, and the ability to create pipelined layer implementations. To validate the framework, we use the Xilinx SDAccel environment to implement an FPGA-based Winograd convolution engine and show that the FPGA layer can be used alongside other layers running on a host processor to run several popular CNNs (AlexNet, GoogleNet, VGG A, Overfeat). The results show that our framework achieves 50 GFLOPS across 3x3 convolutions in the benchmarks. This is achieved within a practical framework, which will aid in future development of FPGA-based CNNs.