Diffusion-based graph generative methods

Being the most cutting-edge generative methods, diffusion methods have shown great advances in wide generation tasks. Among them, graph generation attracts significant research attention for its broad application in real life. In our survey, we systematically and comprehensively review on diffusion-based graph generative methods. We first make a review on three mainstream paradigms of diffusion methods, which are denoising diffusion probabilistic models, score-based genrative models, and stochastic differential equations. Then we further categorize and introduce the latest applications of diffusion models on graphs. In the end, we point out some limitations of current studies and future directions of future explorations. The summary of existing methods metioned in this survey is in https://github.com/zhejiangzhuque/Diffusion-based-Graph-Generative-Methods.

Unleashing the Potential of Unsupervised Deep Outlier Detection through Automated Training Stopping

Outlier detection (OD) has received continuous research interests due to its wide applications. With the development of deep learning, increasingly deep OD algorithms are proposed. Despite the availability of numerous deep OD models, existing research has reported that the performance of deep models is extremely sensitive to the configuration of hyperparameters (HPs). However, the selection of HPs for deep OD models remains a notoriously difficult task due to the lack of any labels and long list of HPs. In our study. we shed light on an essential factor, training time, that can introduce significant variation in the performance of deep model. Even the performance is stable across other HPs, training time itself can cause a serious HP sensitivity issue. Motivated by this finding, we are dedicated to formulating a strategy to terminate model training at the optimal iteration. Specifically, we propose a novel metric called loss entropy to internally evaluate the model performance during training while an automated training stopping algorithm is devised. To our knowledge, our approach is the first to enable reliable identification of the optimal training iteration during training without requiring any labels. Our experiments on tabular, image datasets show that our approach can be applied to diverse deep models and datasets. It not only enhances the robustness of deep models to their HPs, but also improves the performance and reduces plenty of training time compared to naive training.

Are we really making much progress in unsupervised graph outlier detection? Revisiting the problem with new insight and superior method

A large number of studies on Graph Outlier Detection (GOD) have emerged in recent years due to its wide applications, in which Unsupervised Node Outlier Detection (UNOD) on attributed networks is an important area. UNOD focuses on detecting two kinds of typical outliers in graphs: the structural outlier and the contextual outlier. Most existing works conduct the experiments based on the datasets with injected outliers. However, we find that the most widely-used outlier injection approach has a serious data leakage issue. By only utilizing such data leakage, a simple approach can achieve the state-of-the-art performance in detecting outliers. In addition, we observe that most existing algorithms have performance drops with varied injection settings. The other major issue is on balanced detection performance between the two types of outliers, which has not been considered by existing studies. In this paper, we analyze the cause of the data leakage issue in depth since the injection approach is a building block to advance UNOD. Moreover, we devise a novel variance-based model to detect structural outliers, which is more robust to different injection settings. On top of this, we propose a new framework, Variance-based Graph Outlier Detection (VGOD), which combines our variance-based model and attribute reconstruction model to detect outliers in a balanced way. Finally, we conduct extensive experiments to demonstrate the effectiveness and the efficiency of VGOD. The results on 5 real-world datasets validate that VGOD achieves not only the best performance in detecting outliers but also a balanced detection performance between structural and contextual outliers.

Towards Higher-order Topological Consistency for Unsupervised Network Alignment

Network alignment task, which aims to identify corresponding nodes in different networks, is of great significance for many subsequent applications. Without the need for labeled anchor links, unsupervised alignment methods have been attracting more and more attention. However, the topological consistency assumptions defined by existing methods are generally low-order and less accurate because only the edge-indiscriminative topological pattern is considered, which is especially risky in an unsupervised setting. To reposition the focus of the alignment process from low-order to higher-order topological consistency, in this paper, we propose a fully unsupervised network alignment framework named HTC. The proposed higher-order topological consistency is formulated based on edge orbits, which is merged into the information aggregation process of a graph convolutional network so that the alignment consistencies are transformed into the similarity of node embeddings. Furthermore, the encoder is trained to be multi-orbit-aware and then be refined to identify more trusted anchor links. Node correspondence is comprehensively evaluated by integrating all different orders of consistency. {In addition to sound theoretical analysis, the superiority of the proposed method is also empirically demonstrated through extensive experimental evaluation. On three pairs of real-world datasets and two pairs of synthetic datasets, our HTC consistently outperforms a wide variety of unsupervised and supervised methods with the least or comparable time consumption. It also exhibits robustness to structural noise as a result of our multi-orbit-aware training mechanism.

Reinforcement Learning Based Query Vertex Ordering Model for Subgraph Matching

Subgraph matching is a fundamental problem in various fields that use graph structured data. Subgraph matching algorithms enumerate all isomorphic embeddings of a query graph q in a data graph G. An important branch of matching algorithms exploit the backtracking search approach which recursively extends intermediate results following a matching order of query vertices. It has been shown that the matching order plays a critical role in time efficiency of these backtracking based subgraph matching algorithms. In recent years, many advanced techniques for query vertex ordering (i.e., matching order generation) have been proposed to reduce the unpromising intermediate results according to the preset heuristic rules. In this paper, for the first time we apply the Reinforcement Learning (RL) and Graph Neural Networks (GNNs) techniques to generate the high-quality matching order for subgraph matching algorithms. Instead of using the fixed heuristics to generate the matching order, our model could capture and make full use of the graph information, and thus determine the query vertex order with the adaptive learning-based rule that could significantly reduces the number of redundant enumerations. With the help of the reinforcement learning framework, our model is able to consider the long-term benefits rather than only consider the local information at current ordering step.Extensive experiments on six real-life data graphs demonstrate that our proposed matching order generation technique could reduce up to two orders of magnitude of query processing time compared to the state-of-the-art algorithms.

GridTuner: Reinvestigate Grid Size Selection for Spatiotemporal Prediction Models [Technical Report]

With the development of traffic prediction technology, spatiotemporal prediction models have attracted more and more attention from academia communities and industry. However, most existing researches focus on reducing model's prediction error but ignore the error caused by the uneven distribution of spatial events within a region. In this paper, we study a region partitioning problem, namely optimal grid size selection problem (OGSS), which aims to minimize the real error of spatiotemporal prediction models by selecting the optimal grid size. In order to solve OGSS, we analyze the upper bound of real error of spatiotemporal prediction models and minimize the real error by minimizing its upper bound. Through in-depth analysis, we find that the upper bound of real error will decrease then increase when the number of model grids increase from 1 to the maximum allowed value. Then, we propose two algorithms, namely Ternary Search and Iterative Method, to automatically find the optimal grid size. Finally, the experiments verify that the error of prediction has the same trend as its upper bound, and the change trend of the upper bound of real error with respect to the increase of the number of model grids will decrease then increase. Meanwhile, in a case study, by selecting the optimal grid size, the order dispatching results of a state-of-the-art prediction-based algorithm can be improved up to 13.6%, which shows the effectiveness of our methods on tuning the region partition for spatiotemporal prediction models.

A Queueing-Theoretic Framework for Vehicle Dispatching in Dynamic Car-Hailing [technical report]

With the rapid development of smart mobile devices, the car-hailing platforms (e.g., Uber or Lyft) have attracted much attention from both the academia and the industry. In this paper, we consider an important dynamic car-hailing problem, namely \textit{maximum revenue vehicle dispatching} (MRVD), in which rider requests dynamically arrive and drivers need to serve as many riders as possible such that the entire revenue of the platform is maximized. We prove that the MRVD problem is NP-hard and intractable. In addition, the dynamic car-hailing platforms have no information of the future riders, which makes the problem even harder. To handle the MRVD problem, we propose a queueing-based vehicle dispatching framework, which first uses existing machine learning algorithms to predict the future vehicle demand of each region, then estimates the idle time periods of drivers through a queueing model for each region. With the information of the predicted vehicle demands and estimated idle time periods of drivers, we propose two batch-based vehicle dispatching algorithms to efficiently assign suitable drivers to riders such that the expected overall revenue of the platform is maximized during each batch processing. Through extensive experiments, we demonstrate the efficiency and effectiveness of our proposed approaches over both real and synthetic datasets.

Reinforcement Learning based Collective Entity Alignment with Adaptive Features

Entity alignment (EA) is the task of identifying the entities that refer to the same real-world object but are located in different knowledge graphs (KGs). For entities to be aligned, existing EA solutions treat them separately and generate alignment results as ranked lists of entities on the other side. Nevertheless, this decision-making paradigm fails to take into account the interdependence among entities. Although some recent efforts mitigate this issue by imposing the 1-to-1 constraint on the alignment process, they still cannot adequately model the underlying interdependence and the results tend to be sub-optimal. To fill in this gap, in this work, we delve into the dynamics of the decision-making process, and offer a reinforcement learning (RL) based model to align entities collectively. Under the RL framework, we devise the coherence and exclusiveness constraints to characterize the interdependence and restrict collective alignment. Additionally, to generate more precise inputs to the RL framework, we employ representative features to capture different aspects of the similarity between entities in heterogeneous KGs, which are integrated by an adaptive feature fusion strategy. Our proposal is evaluated on both cross-lingual and mono-lingual EA benchmarks and compared against state-of-the-art solutions. The empirical results verify its effectiveness and superiority.