Provenance is a record that describes how entities, activities, and agents have influenced a piece of data; it is commonly represented as graphs with relevant labels on both their nodes and edges. With the growing adoption of provenance in a wide range of application domains, users are increasingly confronted with an abundance of graph data, which may prove challenging to process. Graph kernels, on the other hand, have been successfully used to efficiently analyse graphs. In this paper, we introduce a novel graph kernel called provenance kernel, which is inspired by and tailored for provenance data. It decomposes a provenance graph into tree-patterns rooted at a given node and considers the labels of edges and nodes up to a certain distance from the root. We employ provenance kernels to classify provenance graphs from three application domains. Our evaluation shows that they perform well in terms of classification accuracy and yield competitive results when compared against existing graph kernel methods and the provenance network analytics method while more efficient in computing time. Moreover, the provenance types used by provenance kernels also help improve the explainability of predictive models built on them.
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Vast amount of data generated from networks of sensors, wearables, and the Internet of Things (IoT) devices underscores the need for advanced modeling techniques that leverage the spatio-temporal structure of decentralized data due to the need for edge computation and licensing (data access) issues. While federated learning (FL) has emerged as a framework for model training without requiring direct data sharing and exchange, effectively modeling the complex spatio-temporal dependencies to improve forecasting capabilities still remains an open problem. On the other hand, state-of-the-art spatio-temporal forecasting models assume unfettered access to the data, neglecting constraints on data sharing. To bridge this gap, we propose a federated spatio-temporal model -- Cross-Node Federated Graph Neural Network (CNFGNN) -- which explicitly encodes the underlying graph structure using graph neural network (GNN)-based architecture under the constraint of cross-node federated learning, which requires that data in a network of nodes is generated locally on each node and remains decentralized. CNFGNN operates by disentangling the temporal dynamics modeling on devices and spatial dynamics on the server, utilizing alternating optimization to reduce the communication cost, facilitating computations on the edge devices. Experiments on the traffic flow forecasting task show that CNFGNN achieves the best forecasting performance in both transductive and inductive learning settings with no extra computation cost on edge devices, while incurring modest communication cost.
Learning structural representations of node sets from graph-structured data is crucial for applications ranging from node-role discovery to link prediction and molecule classification. Graph Neural Networks (GNNs) have achieved great success in structural representation learning. However, most GNNs are limited by the 1-Weisfeiler-Lehman (WL) test and thus possible to generate identical representation for structures and graphs that are actually different. More powerful GNNs, proposed recently by mimicking higher-order-WL tests, only focus on entire-graph representations and cannot utilize sparsity of the graph structure to be computationally efficient. Here we propose a general class of structure-related features, termed Distance Encoding (DE), to assist GNNs in representing node sets with arbitrary sizes with strictly more expressive power than the 1-WL test. DE essentially captures the distance between the node set whose representation is to be learnt and each node in the graph, which includes important graph-related measures such as shortest-path-distance and generalized PageRank scores. We propose two general frameworks for GNNs to use DEs (1) as extra node attributes and (2) further as controllers of message aggregation in GNNs. Both frameworks may still utilize the sparse structure to keep scalability to process large graphs. In theory, we prove that these two frameworks can distinguish node sets embedded in almost all regular graphs where traditional GNNs always fail. We also rigorously analyze their limitations. Empirically, we evaluate these two frameworks on node structural roles prediction, link prediction and triangle prediction over six real networks. The results show that our models outperform GNNs without DEs by up-to 15% improvement in average accuracy and AUC. Our models also significantly outperform other SOTA baselines particularly designed for those tasks.
Graph Convolutional Networks (GCNs) have been widely used due to their outstanding performance in processing graph-structured data. However, the undirected graphs limit their application scope. In this paper, we extend spectral-based graph convolution to directed graphs by using first- and second-order proximity, which can not only retain the connection properties of the directed graph, but also expand the receptive field of the convolution operation. A new GCN model, called DGCN, is then designed to learn representations on the directed graph, leveraging both the first- and second-order proximity information. We empirically show the fact that GCNs working only with DGCNs can encode more useful information from graph and help achieve better performance when generalized to other models. Moreover, extensive experiments on citation networks and co-purchase datasets demonstrate the superiority of our model against the state-of-the-art methods.
To solve the information explosion problem and enhance user experience in various online applications, recommender systems have been developed to model users preferences. Although numerous efforts have been made toward more personalized recommendations, recommender systems still suffer from several challenges, such as data sparsity and cold start. In recent years, generating recommendations with the knowledge graph as side information has attracted considerable interest. Such an approach can not only alleviate the abovementioned issues for a more accurate recommendation, but also provide explanations for recommended items. In this paper, we conduct a systematical survey of knowledge graph-based recommender systems. We collect recently published papers in this field and summarize them from two perspectives. On the one hand, we investigate the proposed algorithms by focusing on how the papers utilize the knowledge graph for accurate and explainable recommendation. On the other hand, we introduce datasets used in these works. Finally, we propose several potential research directions in this field.
Graph convolution is the core of most Graph Neural Networks (GNNs) and usually approximated by message passing between direct (one-hop) neighbors. In this work, we remove the restriction of using only the direct neighbors by introducing a powerful, yet spatially localized graph convolution: Graph diffusion convolution (GDC). GDC leverages generalized graph diffusion, examples of which are the heat kernel and personalized PageRank. It alleviates the problem of noisy and often arbitrarily defined edges in real graphs. We show that GDC is closely related to spectral-based models and thus combines the strengths of both spatial (message passing) and spectral methods. We demonstrate that replacing message passing with graph diffusion convolution consistently leads to significant performance improvements across a wide range of models on both supervised and unsupervised tasks and a variety of datasets. Furthermore, GDC is not limited to GNNs but can trivially be combined with any graph-based model or algorithm (e.g. spectral clustering) without requiring any changes to the latter or affecting its computational complexity. Our implementation is available online.
While graph kernels (GKs) are easy to train and enjoy provable theoretical guarantees, their practical performances are limited by their expressive power, as the kernel function often depends on hand-crafted combinatorial features of graphs. Compared to graph kernels, graph neural networks (GNNs) usually achieve better practical performance, as GNNs use multi-layer architectures and non-linear activation functions to extract high-order information of graphs as features. However, due to the large number of hyper-parameters and the non-convex nature of the training procedure, GNNs are harder to train. Theoretical guarantees of GNNs are also not well-understood. Furthermore, the expressive power of GNNs scales with the number of parameters, and thus it is hard to exploit the full power of GNNs when computing resources are limited. The current paper presents a new class of graph kernels, Graph Neural Tangent Kernels (GNTKs), which correspond to infinitely wide multi-layer GNNs trained by gradient descent. GNTKs enjoy the full expressive power of GNNs and inherit advantages of GKs. Theoretically, we show GNTKs provably learn a class of smooth functions on graphs. Empirically, we test GNTKs on graph classification datasets and show they achieve strong performance.
Meta-learning extracts the common knowledge acquired from learning different tasks and uses it for unseen tasks. It demonstrates a clear advantage on tasks that have insufficient training data, e.g., few-shot learning. In most meta-learning methods, tasks are implicitly related via the shared model or optimizer. In this paper, we show that a meta-learner that explicitly relates tasks on a graph describing the relations of their output dimensions (e.g., classes) can significantly improve the performance of few-shot learning. This type of graph is usually free or cheap to obtain but has rarely been explored in previous works. We study the prototype based few-shot classification, in which a prototype is generated for each class, such that the nearest neighbor search between the prototypes produces an accurate classification. We introduce "Gated Propagation Network (GPN)", which learns to propagate messages between prototypes of different classes on the graph, so that learning the prototype of each class benefits from the data of other related classes. In GPN, an attention mechanism is used for the aggregation of messages from neighboring classes, and a gate is deployed to choose between the aggregated messages and the message from the class itself. GPN is trained on a sequence of tasks from many-shot to few-shot generated by subgraph sampling. During training, it is able to reuse and update previously achieved prototypes from the memory in a life-long learning cycle. In experiments, we change the training-test discrepancy and test task generation settings for thorough evaluations. GPN outperforms recent meta-learning methods on two benchmark datasets in all studied cases.
This paper focuses on the discrimination capacity of aggregation functions: these are the permutation invariant functions used by graph neural networks to combine the features of nodes. Realizing that the most powerful aggregation functions suffer from a dimensionality curse, we consider a restricted setting. In particular, we show that the standard sum and a novel histogram-based function have the capacity to discriminate between any fixed number of inputs chosen by an adversary. Based on our insights, we design a graph neural network aiming, not to maximize discrimination capacity, but to learn discriminative graph representations that generalize well. Our empirical evaluation provides evidence that our choices can yield benefits to the problem of structural graph classification.
Meta-learning has received a tremendous recent attention as a possible approach for mimicking human intelligence, i.e., acquiring new knowledge and skills with little or even no demonstration. Most of the existing meta-learning methods are proposed to tackle few-shot learning problems such as image and text, in rather Euclidean domain. However, there are very few works applying meta-learning to non-Euclidean domains, and the recently proposed graph neural networks (GNNs) models do not perform effectively on graph few-shot learning problems. Towards this, we propose a novel graph meta-learning framework -- Meta-GNN -- to tackle the few-shot node classification problem in graph meta-learning settings. It obtains the prior knowledge of classifiers by training on many similar few-shot learning tasks and then classifies the nodes from new classes with only few labeled samples. Additionally, Meta-GNN is a general model that can be straightforwardly incorporated into any existing state-of-the-art GNN. Our experiments conducted on three benchmark datasets demonstrate that our proposed approach not only improves the node classification performance by a large margin on few-shot learning problems in meta-learning paradigm, but also learns a more general and flexible model for task adaption.
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