The wide spread of location-based social networks brings about a huge volume of user check-in data, which facilitates the recommendation of points of interest (POIs). Recent advances on distributed representation shed light on learning low dimensional dense vectors to alleviate the data sparsity problem. Current studies on representation learning for POI recommendation embed both users and POIs in a common latent space, and users' preference is inferred based on the distance/similarity between a user and a POI. Such an approach is not in accordance with the semantics of users and POIs as they are inherently different objects. In this paper, we present a novel spatiotemporal aware (STA) representation, which models the spatial and temporal information as \emph{a relationship connecting users and POIs}. Our model generalizes the recent advances in knowledge graph embedding. The basic idea is that the embedding of a $<$time, location$>$ pair corresponds to a translation from embeddings of users to POIs. Since the POI embedding should be close to the user embedding plus the relationship vector, the recommendation can be performed by selecting the top-\emph{k} POIs similar to the translated POI, which are all of the same type of objects. We conduct extensive experiments on two real-world datasets. The results demonstrate that our STA model achieves the state-of-the-art performance in terms of high recommendation accuracy, robustness to data sparsity and effectiveness in handling cold start problem.
Currently, there is a rapidly increasing need for high-quality biomedical knowledge graphs (BioKG) that provide direct and precise biomedical knowledge. In the context of COVID-19, this issue is even more necessary to be highlighted. However, most BioKG construction inevitably includes numerous conflicts and noises deriving from incorrect knowledge descriptions in literature and defective information extraction techniques. Many studies have demonstrated that reasoning upon the knowledge graph is effective in eliminating such conflicts and noises. This paper proposes a method BioGRER to improve the BioKG's quality, which comprehensively combines the knowledge graph embedding and logic rules that support and negate triplets in the BioKG. In the proposed model, the BioKG refinement problem is formulated as the probability estimation for triplets in the BioKG. We employ the variational EM algorithm to optimize knowledge graph embedding and logic rule inference alternately. In this way, our model could combine efforts from both the knowledge graph embedding and logic rules, leading to better results than using them alone. We evaluate our model over a COVID-19 knowledge graph and obtain competitive results.
Heterogeneous graphs (HGs) also known as heterogeneous information networks have become ubiquitous in real-world scenarios; therefore, HG embedding, which aims to learn representations in a lower-dimension space while preserving the heterogeneous structures and semantics for downstream tasks (e.g., node/graph classification, node clustering, link prediction), has drawn considerable attentions in recent years. In this survey, we perform a comprehensive review of the recent development on HG embedding methods and techniques. We first introduce the basic concepts of HG and discuss the unique challenges brought by the heterogeneity for HG embedding in comparison with homogeneous graph representation learning; and then we systemically survey and categorize the state-of-the-art HG embedding methods based on the information they used in the learning process to address the challenges posed by the HG heterogeneity. In particular, for each representative HG embedding method, we provide detailed introduction and further analyze its pros and cons; meanwhile, we also explore the transformativeness and applicability of different types of HG embedding methods in the real-world industrial environments for the first time. In addition, we further present several widely deployed systems that have demonstrated the success of HG embedding techniques in resolving real-world application problems with broader impacts. To facilitate future research and applications in this area, we also summarize the open-source code, existing graph learning platforms and benchmark datasets. Finally, we explore the additional issues and challenges of HG embedding and forecast the future research directions in this field.
Recent research on graph embedding has achieved success in various applications. Most graph embedding methods preserve the proximity in a graph into a manifold in an embedding space. We argue an important but neglected problem about this proximity-preserving strategy: Graph topology patterns, while preserved well into an embedding manifold by preserving proximity, may distort in the ambient embedding Euclidean space, and hence to detect them becomes difficult for machine learning models. To address the problem, we propose curvature regularization, to enforce flatness for embedding manifolds, thereby preventing the distortion. We present a novel angle-based sectional curvature, termed ABS curvature, and accordingly three kinds of curvature regularization to induce flat embedding manifolds during graph embedding. We integrate curvature regularization into five popular proximity-preserving embedding methods, and empirical results in two applications show significant improvements on a wide range of open graph datasets.
Network seeding for efficient information diffusion over time-varying graphs~(TVGs) is a challenging task with many real-world applications. There are several ways to model this spatio-temporal influence maximization problem, but the ultimate goal is to determine the best moment for a node to start the diffusion process. In this context, we propose Spatio-Temporal Influence Maximization~(STIM), a model trained with Reinforcement Learning and Graph Embedding over a set of artificial TVGs that is capable of learning the temporal behavior and connectivity pattern of each node, allowing it to predict the best moment to start a diffusion through the TVG. We also develop a special set of artificial TVGs used for training that simulate a stochastic diffusion process in TVGs, showing that the STIM network can learn an efficient policy even over a non-deterministic environment. STIM is also evaluated with a real-world TVG, where it also manages to efficiently propagate information through the nodes. Finally, we also show that the STIM model has a time complexity of $O(|E|)$. STIM, therefore, presents a novel approach for efficient information diffusion in TVGs, being highly versatile, where one can change the goal of the model by simply changing the adopted reward function.
At online retail platforms, it is crucial to actively detect the risks of transactions to improve customer experience and minimize financial loss. In this work, we propose xFraud, an explainable fraud transaction prediction framework which is mainly composed of a detector and an explainer. The xFraud detector can effectively and efficiently predict the legitimacy of incoming transactions. Specifically, it utilizes a heterogeneous graph neural network to learn expressive representations from the informative heterogeneously typed entities in the transaction logs. The explainer in xFraud can generate meaningful and human-understandable explanations from graphs to facilitate further processes in the business unit. In our experiments with xFraud on real transaction networks with up to 1.1 billion nodes and 3.7 billion edges, xFraud is able to outperform various baseline models in many evaluation metrics while remaining scalable in distributed settings. In addition, we show that xFraud explainer can generate reasonable explanations to significantly assist the business analysis via both quantitative and qualitative evaluations.
Limited by the time complexity of querying k-hop neighbors in a graph database, most graph algorithms cannot be deployed online and execute millisecond-level inference. This problem dramatically limits the potential of applying graph algorithms in certain areas, such as financial fraud detection. Therefore, we propose Asynchronous Propagation Attention Network, an asynchronous continuous time dynamic graph algorithm for real-time temporal graph embedding. Traditional graph models usually execute two serial operations: first graph computation and then model inference. We decouple model inference and graph computation step so that the heavy graph query operations will not damage the speed of model inference. Extensive experiments demonstrate that the proposed method can achieve competitive performance and 8.7 times inference speed improvement in the meantime.
Learning good quality neural graph embeddings has long been achieved by minimizing the point-wise mutual information (PMI) for co-occurring nodes in simulated random walks. This design choice has been mostly popularized by the direct application of the highly-successful word embedding algorithm word2vec to predicting the formation of new links in social, co-citation, and biological networks. However, such a skeuomorphic design of graph embedding methods entails a truncation of information coming from pairs of nodes with low PMI. To circumvent this issue, we propose an improved approach to learning low-rank factorization embeddings that incorporate information from such unlikely pairs of nodes and show that it can improve the link prediction performance of baseline methods from 1.2% to 24.2%. Based on our results and observations we outline further steps that could improve the design of next graph embedding algorithms that are based on matrix factorization.
Most existing knowledge graphs suffer from incompleteness. Embedding knowledge graphs into continuous vector spaces has recently attracted increasing interest in knowledge base completion. However, in most existing embedding methods, only fact triplets are utilized, and logical rules have not been thoroughly studied for the knowledge base completion task. To overcome the problem, we propose an association rules enhanced knowledge graph attention network (AR-KGAT). The AR-KGAT captures both entity and relation features for high-order neighborhoods of any given entity in an end-to-end manner under the graph attention network framework. The major component of AR-KGAT is an encoder of an effective neighborhood aggregator, which addresses the problems by aggregating neighbors with both association-rules-based and graph-based attention weights. Additionally, the proposed model also encapsulates the representations from multi-hop neighbors of nodes to refine their embeddings. The decoder enables AR-KGAT to be translational between entities and relations while keeping the superior link prediction performance. A logic-like inference pattern is utilized as constraints for knowledge graph embedding. Then, the global loss is minimized over both atomic and complex formulas to achieve the embedding task. In this manner, we learn embeddings compatible with triplets and rules, which are certainly more predictive for knowledge acquisition and inference. We conduct extensive experiments on two benchmark datasets: WN18RR and FB15k-237, for two knowledge graph completion tasks: the link prediction and triplet classification to evaluate the proposed AR-KGAT model. The results show that the proposed AR-KGAT model achieves significant and consistent improvements over state-of-the-art methods.
The widespread adoption of machine learning (ML) techniques and the extensive expertise required to apply them have led to increased interest in automated ML solutions that reduce the need for human intervention. One of the main challenges in applying ML to previously unseen problems is algorithm selection - the identification of high-performing algorithm(s) for a given dataset, task, and evaluation measure. This study addresses the algorithm selection challenge for data clustering, a fundamental task in data mining that is aimed at grouping similar objects. We present MARCO-GE, a novel meta-learning approach for the automated recommendation of clustering algorithms. MARCO-GE first transforms datasets into graphs and then utilizes a graph convolutional neural network technique to extract their latent representation. Using the embedding representations obtained, MARCO-GE trains a ranking meta-model capable of accurately recommending top-performing algorithms for a new dataset and clustering evaluation measure. Extensive evaluation on 210 datasets, 13 clustering algorithms, and 10 clustering measures demonstrates the effectiveness of our approach and its superiority in terms of predictive and generalization performance over state-of-the-art clustering meta-learning approaches.
Sequence labeling (SL) is a fundamental research problem encompassing a variety of tasks, e.g., part-of-speech (POS) tagging, named entity recognition (NER), text chunking, etc. Though prevalent and effective in many downstream applications (e.g., information retrieval, question answering, and knowledge graph embedding), conventional sequence labeling approaches heavily rely on hand-crafted or language-specific features. Recently, deep learning has been employed for sequence labeling tasks due to its powerful capability in automatically learning complex features of instances and effectively yielding the stat-of-the-art performances. In this paper, we aim to present a comprehensive review of existing deep learning-based sequence labeling models, which consists of three related tasks, e.g., part-of-speech tagging, named entity recognition, and text chunking. Then, we systematically present the existing approaches base on a scientific taxonomy, as well as the widely-used experimental datasets and popularly-adopted evaluation metrics in the SL domain. Furthermore, we also present an in-depth analysis of different SL models on the factors that may affect the performance and future directions in the SL domain.
We develop a fused matrix multiplication kernel that unifies sampled dense-dense matrix multiplication and sparse-dense matrix multiplication under a single operation called FusedMM. By using user-defined functions, FusedMM can capture almost all computational patterns needed by popular graph embedding and GNN approaches. FusedMM is an order of magnitude faster than its equivalent kernels in Deep Graph Library. The superior performance of FusedMM comes from the low-level vectorized kernels, a suitable load balancing scheme and an efficient utilization of the memory bandwidth. FusedMM can tune its performance using a code generator and perform equally well on Intel, AMD and ARM processors. FusedMM speeds up an end-to-end graph embedding algorithm by up to 28x on different processors.
Link scheduling in device-to-device (D2D) networks is usually formulated as a non-convex combinatorial problem, which is generally NP-hard and difficult to get the optimal solution. Traditional methods to solve this problem are mainly based on mathematical optimization techniques, where accurate channel state information (CSI), usually obtained through channel estimation and feedback, is needed. To overcome the high computational complexity of the traditional methods and eliminate the costly channel estimation stage, machine leaning (ML) has been introduced recently to address the wireless link scheduling problems. In this paper, we propose a novel graph embedding based method for link scheduling in D2D networks. We first construct a fully-connected directed graph for the D2D network, where each D2D pair is a node while interference links among D2D pairs are the edges. Then we compute a low-dimensional feature vector for each node in the graph. The graph embedding process is based on the distances of both communication and interference links, therefore without requiring the accurate CSI. By utilizing a multi-layer classifier, a scheduling strategy can be learned in a supervised manner based on the graph embedding results for each node. We also propose an unsupervised manner to train the graph embedding based method to further reinforce the scalability and generalizability and develop a K-nearest neighbor graph representation method to reduce the computational complexity. Extensive simulation demonstrates that the proposed method is near-optimal compared with the existing state-of-art methods but is with only hundreds of training samples. It is also competitive in terms of scalability and generalizability to more complicated scenarios.
This paper wants to focus on providing a characterization of the runtime performances of state-of-the-art implementations of KGE alghoritms, in terms of memory footprint and execution time. Despite the rapidly growing interest in KGE methods, so far little attention has been devoted to their comparison and evaluation; in particular, previous work mainly focused on performance in terms of accuracy in specific tasks, such as link prediction. To this extent, a framework is proposed for evaluating available KGE implementations against graphs with different properties, with a particular focus on the effectiveness of the adopted optimization strategies. Graphs and models have been trained leveraging different architectures, in order to enlighten features and properties of both models and the architectures they have been trained on. Some results enlightened with experiments in this document are the fact that multithreading is efficient, but benefit deacreases as the number of threads grows in case of CPU. GPU proves to be the best architecture for the given task, even if CPU with some vectorized instructions still behaves well. Finally, RAM utilization for the loading of the graph never changes between different architectures and depends only on the type of graph, not on the model.
Distance based knowledge graph embedding methods show promising results on link prediction task, on which two topics have been widely studied: one is the ability to handle complex relations, such as N-to-1, 1-to-N and N-to-N, the other is to encode various relation patterns, such as symmetry/antisymmetry. However, the existing methods fail to solve these two problems at the same time, which leads to unsatisfactory results. To mitigate this problem, we propose PairRE, a model with paired vectors for each relation representation. The paired vectors enable an adaptive adjustment of the margin in loss function to fit for complex relations. Besides, PairRE is capable of encoding three important relation patterns, symmetry/antisymmetry, inverse and composition. Given simple constraints on relation representations, PairRE can encode subrelation further. Experiments on link prediction benchmarks demonstrate the proposed key capabilities of PairRE. Moreover, We set a new state-of-the-art on two knowledge graph datasets of the challenging Open Graph Benchmark.
To fully exploit the performance potential of modern multi-core processors, machine learning and data mining algorithms for big data must be parallelized in multiple ways. Today's CPUs consist of multiple cores, each following an independent thread of control, and each equipped with multiple arithmetic units which can perform the same operation on a vector of multiple data objects. Graph embedding, i.e. converting the vertices of a graph into numerical vectors is a data mining task of high importance and is useful for graph drawing (low-dimensional vectors) and graph representation learning (high-dimensional vectors). In this paper, we propose MulticoreGEMPE (Graph Embedding by Minimizing the Predictive Entropy), an information-theoretic method which can generate low and high-dimensional vectors. MulticoreGEMPE applies MIMD (Multiple Instructions Multiple Data, using OpenMP) and SIMD (Single Instructions Multiple Data, using AVX-512) parallelism. We propose general ideas applicable in other graph-based algorithms like \emph{vectorized hashing} and \emph{vectorized reduction}. Our experimental evaluation demonstrates the superiority of our approach.
Recently, the teacher-student knowledge distillation framework has demonstrated its potential in training Graph Neural Networks (GNNs). However, due to the difficulty of training over-parameterized GNN models, one may not easily obtain a satisfactory teacher model for distillation. Furthermore, the inefficient training process of teacher-student knowledge distillation also impedes its applications in GNN models. In this paper, we propose the first teacher-free knowledge distillation method for GNNs, termed GNN Self-Distillation (GNN-SD), that serves as a drop-in replacement of the standard training process. The method is built upon the proposed neighborhood discrepancy rate (NDR), which quantifies the non-smoothness of the embedded graph in an efficient way. Based on this metric, we propose the adaptive discrepancy retaining (ADR) regularizer to empower the transferability of knowledge that maintains high neighborhood discrepancy across GNN layers. We also summarize a generic GNN-SD framework that could be exploited to induce other distillation strategies. Experiments further prove the effectiveness and generalization of our approach, as it brings: 1) state-of-the-art GNN distillation performance with less training cost, 2) consistent and considerable performance enhancement for various popular backbones.
Efficient modeling of relational data arising in physical, social, and information sciences is challenging due to complicated dependencies within the data. In this work, we build off of semi-implicit graph variational auto-encoders to capture higher-order statistics in a low-dimensional graph latent representation. We incorporate hyperbolic geometry in the latent space through a Poincare embedding to efficiently represent graphs exhibiting hierarchical structure. To address the naive posterior latent distribution assumptions in classical variational inference, we use semi-implicit hierarchical variational Bayes to implicitly capture posteriors of given graph data, which may exhibit heavy tails, multiple modes, skewness, and highly correlated latent structures. We show that the existing semi-implicit variational inference objective provably reduces information in the observed graph. Based on this observation, we estimate and add an additional mutual information term to the semi-implicit variational inference learning objective to capture rich correlations arising between the input and latent spaces. We show that the inclusion of this regularization term in conjunction with the Poincare embedding boosts the quality of learned high-level representations and enables more flexible and faithful graphical modeling. We experimentally demonstrate that our approach outperforms existing graph variational auto-encoders both in Euclidean and in hyperbolic spaces for edge link prediction and node classification.
For graph classification tasks, many traditional kernel methods focus on measuring the similarity between graphs. These methods have achieved great success on resolving graph isomorphism problems. However, in some classification problems, the graph class depends on not only the topological similarity of the whole graph, but also constituent subgraph patterns. To this end, we propose a novel graph embedding method using a multi-layer adjacent point merging model. This embedding method allows us to extract different subgraph patterns from train-data. Then we present a flexible loss function for feature selection which enhances the robustness of our method for different classification problems. Finally, numerical evaluations demonstrate that our proposed method outperforms many state-of-the-art methods.
Knowledge graph embedding (KGE), aiming to embed entities and relations into low-dimensional vectors, has attracted wide attention recently. However, the existing research is mainly based on the black-box neural models, which makes it difficult to interpret the learned representation. In this paper, we introduce DisenE, an end-to-end framework to learn disentangled knowledge graph embeddings. Specially, we introduce an attention-based mechanism that enables the model to explicitly focus on relevant components of entity embeddings according to a given relation. Furthermore, we introduce two novel regularizers to encourage each component of the entity representation to independently reflect an isolated semantic aspect. Experimental results demonstrate that our proposed DisenE investigates a perspective to address the interpretability of KGE and is proved to be an effective way to improve the performance of link prediction tasks.