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Recent years have witnessed the remarkable success of applying Graph machine learning (GML) to node/graph classification and link prediction. However, edge classification task that enjoys numerous real-world applications such as social network analysis and cybersecurity, has not seen significant advancement. To address this gap, our study pioneers a comprehensive approach to edge classification. We identify a novel `Topological Imbalance Issue', which arises from the skewed distribution of edges across different classes, affecting the local subgraph of each edge and harming the performance of edge classifications. Inspired by the recent studies in node classification that the performance discrepancy exists with varying local structural patterns, we aim to investigate if the performance discrepancy in topological imbalanced edge classification can also be mitigated by characterizing the local class distribution variance. To overcome this challenge, we introduce Topological Entropy (TE), a novel topological-based metric that measures the topological imbalance for each edge. Our empirical studies confirm that TE effectively measures local class distribution variance, and indicate that prioritizing edges with high TE values can help address the issue of topological imbalance. Based on this, we develop two strategies - Topological Reweighting and TE Wedge-based Mixup - to focus training on (synthetic) edges based on their TEs. While topological reweighting directly manipulates training edge weights according to TE, our wedge-based mixup interpolates synthetic edges between high TE wedges. Ultimately, we integrate these strategies into a novel topological imbalance strategy for edge classification: TopoEdge. Through extensive experiments, we demonstrate the efficacy of our proposed strategies on newly curated datasets and thus establish a new benchmark for (imbalanced) edge classification.

Feature transformation is to derive a new feature set from original features to augment the AI power of data. In many science domains such as material performance screening, while feature transformation can model material formula interactions and compositions and discover performance drivers, supervised labels are collected from expensive and lengthy experiments. This issue motivates an Unsupervised Feature Transformation Learning (UFTL) problem. Prior literature, such as manual transformation, supervised feedback guided search, and PCA, either relies on domain knowledge or expensive supervised feedback, or suffers from large search space, or overlooks non-linear feature-feature interactions. UFTL imposes a major challenge on existing methods: how to design a new unsupervised paradigm that captures complex feature interactions and avoids large search space? To fill this gap, we connect graph, contrastive, and generative learning to develop a measurement-pretrain-finetune paradigm for UFTL. For unsupervised feature set utility measurement, we propose a feature value consistency preservation perspective and develop a mean discounted cumulative gain like unsupervised metric to evaluate feature set utility. For unsupervised feature set representation pretraining, we regard a feature set as a feature-feature interaction graph, and develop an unsupervised graph contrastive learning encoder to embed feature sets into vectors. For generative transformation finetuning, we regard a feature set as a feature cross sequence and feature transformation as sequential generation. We develop a deep generative feature transformation model that coordinates the pretrained feature set encoder and the gradient information extracted from a feature set utility evaluator to optimize a transformed feature generator.

Data augmentation is a series of techniques that generate high-quality artificial data by manipulating existing data samples. By leveraging data augmentation techniques, AI models can achieve significantly improved applicability in tasks involving scarce or imbalanced datasets, thereby substantially enhancing AI models' generalization capabilities. Existing literature surveys only focus on a certain type of specific modality data, and categorize these methods from modality-specific and operation-centric perspectives, which lacks a consistent summary of data augmentation methods across multiple modalities and limits the comprehension of how existing data samples serve the data augmentation process. To bridge this gap, we propose a more enlightening taxonomy that encompasses data augmentation techniques for different common data modalities. Specifically, from a data-centric perspective, this survey proposes a modality-independent taxonomy by investigating how to take advantage of the intrinsic relationship between data samples, including single-wise, pair-wise, and population-wise sample data augmentation methods. Additionally, we categorize data augmentation methods across five data modalities through a unified inductive approach.

In time series anomaly detection (TSAD), the scarcity of labeled data poses a challenge to the development of accurate models. Unsupervised domain adaptation (UDA) offers a solution by leveraging labeled data from a related domain to detect anomalies in an unlabeled target domain. However, existing UDA methods assume consistent anomalous classes across domains. To address this limitation, we propose a novel Domain Adaptation Contrastive learning model for Anomaly Detection in multivariate time series (DACAD), combining UDA with contrastive learning. DACAD utilizes an anomaly injection mechanism that enhances generalization across unseen anomalous classes, improving adaptability and robustness. Additionally, our model employs supervised contrastive loss for the source domain and self-supervised contrastive triplet loss for the target domain, ensuring comprehensive feature representation learning and domain-invariant feature extraction. Finally, an effective Centre-based Entropy Classifier (CEC) accurately learns normal boundaries in the source domain. Extensive evaluations on multiple real-world datasets and a synthetic dataset highlight DACAD's superior performance in transferring knowledge across domains and mitigating the challenge of limited labeled data in TSAD., Comment: 11 pages, 3 figures, 6 tables

Online dating platforms have gained widespread popularity as a means for individuals to seek potential romantic relationships. While recommender systems have been designed to improve the user experience in dating platforms by providing personalized recommendations, increasing concerns about fairness have encouraged the development of fairness-aware recommender systems from various perspectives (e.g., gender and race). However, sexual orientation, which plays a significant role in finding a satisfying relationship, is under-investigated. To fill this crucial gap, we propose a novel metric, Opposite Gender Interaction Ratio (OGIR), as a way to investigate potential unfairness for users with varying preferences towards the opposite gender. We empirically analyze a real online dating dataset and observe existing recommender algorithms could suffer from group unfairness according to OGIR. We further investigate the potential causes for such gaps in recommendation quality, which lead to the challenges of group quantity imbalance and group calibration imbalance. Ultimately, we propose a fair recommender system based on re-weighting and re-ranking strategies to respectively mitigate these associated imbalance challenges. Experimental results demonstrate both strategies improve fairness while their combination achieves the best performance towards maintaining model utility while improving fairness., Comment: Accepted by AAAI 2024

Recommender Systems (RS) have significantly advanced online content discovery and personalized decision-making. However, emerging vulnerabilities in RS have catalyzed a paradigm shift towards Trustworthy RS (TRS). Despite numerous progress on TRS, most of them focus on data correlations while overlooking the fundamental causal nature in recommendation. This drawback hinders TRS from identifying the cause in addressing trustworthiness issues, leading to limited fairness, robustness, and explainability. To bridge this gap, causal learning emerges as a class of promising methods to augment TRS. These methods, grounded in reliable causality, excel in mitigating various biases and noises while offering insightful explanations for TRS. However, there lacks a timely survey in this vibrant area. This paper creates an overview of TRS from the perspective of causal learning. We begin by presenting the advantages and common procedures of Causality-oriented TRS (CTRS). Then, we identify potential trustworthiness challenges at each stage and link them to viable causal solutions, followed by a classification of CTRS methods. Finally, we discuss several future directions for advancing this field.

Data valuation is essential for quantifying data's worth, aiding in assessing data quality and determining fair compensation. While existing data valuation methods have proven effective in evaluating the value of Euclidean data, they face limitations when applied to the increasingly popular graph-structured data. Particularly, graph data valuation introduces unique challenges, primarily stemming from the intricate dependencies among nodes and the exponential growth in value estimation costs. To address the challenging problem of graph data valuation, we put forth an innovative solution, Precedence-Constrained Winter (PC-Winter) Value, to account for the complex graph structure. Furthermore, we develop a variety of strategies to address the computational challenges and enable efficient approximation of PC-Winter. Extensive experiments demonstrate the effectiveness of PC-Winter across diverse datasets and tasks., Comment: 17 pages in total

Knowledge graph completion (KGC) aims to predict unseen edges in knowledge graphs (KGs), resulting in the discovery of new facts. A new class of methods have been proposed to tackle this problem by aggregating path information. These methods have shown tremendous ability in the task of KGC. However they are plagued by efficiency issues. Though there are a few recent attempts to address this through learnable path pruning, they often sacrifice the performance to gain efficiency. In this work, we identify two intrinsic limitations of these methods that affect the efficiency and representation quality. To address the limitations, we introduce a new method, TAGNet, which is able to efficiently propagate information. This is achieved by only aggregating paths in a fixed window for each source-target pair. We demonstrate that the complexity of TAGNet is independent of the number of layers. Extensive experiments demonstrate that TAGNet can cut down on the number of propagated messages by as much as 90% while achieving competitive performance on multiple KG datasets. The code is available at https://github.com/HarryShomer/TAGNet.

One main challenge in time series anomaly detection (TSAD) is the lack of labelled data in many real-life scenarios. Most of the existing anomaly detection methods focus on learning the normal behaviour of unlabelled time series in an unsupervised manner. The normal boundary is often defined tightly, resulting in slight deviations being classified as anomalies, consequently leading to a high false positive rate and a limited ability to generalise normal patterns. To address this, we introduce a novel end-to-end self-supervised ContrAstive Representation Learning approach for time series Anomaly detection (CARLA). While existing contrastive learning methods assume that augmented time series windows are positive samples and temporally distant windows are negative samples, we argue that these assumptions are limited as augmentation of time series can transform them to negative samples, and a temporally distant window can represent a positive sample. Our contrastive approach leverages existing generic knowledge about time series anomalies and injects various types of anomalies as negative samples. Therefore, CARLA not only learns normal behaviour but also learns deviations indicating anomalies. It creates similar representations for temporally closed windows and distinct ones for anomalies. Additionally, it leverages the information about representations' neighbours through a self-supervised approach to classify windows based on their nearest/furthest neighbours to further enhance the performance of anomaly detection. In extensive tests on seven major real-world time series anomaly detection datasets, CARLA shows superior performance over state-of-the-art self-supervised and unsupervised TSAD methods. Our research shows the potential of contrastive representation learning to advance time series anomaly detection., Comment: 36 pages, 9 figures, 9 tables

Recommender systems are effective tools for mitigating information overload and have seen extensive applications across various domains. However, the single focus on utility goals proves to be inadequate in addressing real-world concerns, leading to increasing attention to fairness-aware and diversity-aware recommender systems. While most existing studies explore fairness and diversity independently, we identify strong connections between these two domains. In this survey, we first discuss each of them individually and then dive into their connections. Additionally, motivated by the concepts of user-level and item-level fairness, we broaden the understanding of diversity to encompass not only the item level but also the user level. With this expanded perspective on user and item-level diversity, we re-interpret fairness studies from the viewpoint of diversity. This fresh perspective enhances our understanding of fairness-related work and paves the way for potential future research directions. Papers discussed in this survey along with public code links are available at https://github.com/YuyingZhao/Awesome-Fairness-and-Diversity-Papers-in-Recommender-Systems .

The existing research on robust Graph Neural Networks (GNNs) fails to acknowledge the significance of directed graphs in providing rich information about networks' inherent structure. This work presents the first investigation into the robustness of GNNs in the context of directed graphs, aiming to harness the profound trust implications offered by directed graphs to bolster the robustness and resilience of GNNs. Our study reveals that existing directed GNNs are not adversarially robust. In pursuit of our goal, we introduce a new and realistic directed graph attack setting and propose an innovative, universal, and efficient message-passing framework as a plug-in layer to significantly enhance the robustness of GNNs. Combined with existing defense strategies, this framework achieves outstanding clean accuracy and state-of-the-art robust performance, offering superior defense against both transfer and adaptive attacks. The findings in this study reveal a novel and promising direction for this crucial research area. The code will be made publicly available upon the acceptance of this work.

Graph neural networks (GNNs) are powerful graph-based deep-learning models that have gained significant attention and demonstrated remarkable performance in various domains, including natural language processing, drug discovery, and recommendation systems. However, combining feature information and combinatorial graph structures has led to complex non-linear GNN models. Consequently, this has increased the challenges of understanding the workings of GNNs and the underlying reasons behind their predictions. To address this, numerous explainability methods have been proposed to shed light on the inner mechanism of the GNNs. Explainable GNNs improve their security and enhance trust in their recommendations. This survey aims to provide a comprehensive overview of the existing explainability techniques for GNNs. We create a novel taxonomy and hierarchy to categorize these methods based on their objective and methodology. We also discuss the strengths, limitations, and application scenarios of each category. Furthermore, we highlight the key evaluation metrics and datasets commonly used to assess the explainability of GNNs. This survey aims to assist researchers and practitioners in understanding the existing landscape of explainability methods, identifying gaps, and fostering further advancements in interpretable graph-based machine learning., Comment: submitted to Bulletin of the IEEE Computer Society Technical Committee on Data Engineering

Graph Neural Networks (GNNs) have emerged as a powerful tool for semi-supervised node classification tasks. However, recent studies have revealed various biases in GNNs stemming from both node features and graph topology. In this work, we uncover a new bias - label position bias, which indicates that the node closer to the labeled nodes tends to perform better. We introduce a new metric, the Label Proximity Score, to quantify this bias, and find that it is closely related to performance disparities. To address the label position bias, we propose a novel optimization framework for learning a label position unbiased graph structure, which can be applied to existing GNNs. Extensive experiments demonstrate that our proposed method not only outperforms backbone methods but also significantly mitigates the issue of label position bias in GNNs.

Recent research has highlighted the vulnerability of Deep Neural Networks (DNNs) against data poisoning attacks. These attacks aim to inject poisoning samples into the models' training dataset such that the trained models have inference failures. While previous studies have executed different types of attacks, one major challenge that greatly limits their effectiveness is the uncertainty of the re-training process after the injection of poisoning samples, including the re-training initialization or algorithms. To address this challenge, we propose a novel attack method called ''Sharpness-Aware Data Poisoning Attack (SAPA)''. In particular, it leverages the concept of DNNs' loss landscape sharpness to optimize the poisoning effect on the worst re-trained model. It helps enhance the preservation of the poisoning effect, regardless of the specific retraining procedure employed. Extensive experiments demonstrate that SAPA offers a general and principled strategy that significantly enhances various types of poisoning attacks.

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various downstream tasks. However, GNNs have several drawbacks such as lacking interpretability, can easily inherit the bias of data and cannot model casual relations. Recently, counterfactual learning on graphs has shown promising results in alleviating these drawbacks. Various approaches have been proposed for counterfactual fairness, explainability, link prediction and other applications on graphs. To facilitate the development of this promising direction, in this survey, we categorize and comprehensively review papers on graph counterfactual learning. We divide existing methods into four categories based on problems studied. For each category, we provide background and motivating examples, a general framework summarizing existing works and a detailed review of these works. We point out promising future research directions at the intersection of graph-structured data, counterfactual learning, and real-world applications. To offer a comprehensive view of resources for future studies, we compile a collection of open-source implementations, public datasets, and commonly-used evaluation metrics. This survey aims to serve as a ``one-stop-shop'' for building a unified understanding of graph counterfactual learning categories and current resources. We also maintain a repository for papers and resources and will keep updating the repository https://github.com/TimeLovercc/Awesome-Graph-Causal-Learning.

Social events reflect the dynamics of society and, here, natural disasters and emergencies receive significant attention. The timely detection of these events can provide organisations and individuals with valuable information to reduce or avoid losses. However, due to the complex heterogeneities of the content and structure of social media, existing models can only learn limited information; large amounts of semantic and structural information are ignored. In addition, due to high labour costs, it is rare for social media datasets to include high-quality labels, which also makes it challenging for models to learn information from social media. In this study, we propose two hyperbolic graph representation-based methods for detecting social events from heterogeneous social media environments. For cases where a dataset has labels, we designed a Hyperbolic Social Event Detection (HSED) model that converts complex social information into a unified social message graph. This model addresses the heterogeneity of social media, and, with this graph, the information in social media can be used to capture structural information based on the properties of hyperbolic space. For cases where the dataset is unlabelled, we designed an Unsupervised Hyperbolic Social Event Detection (UHSED). This model is based on the HSED model but includes graph contrastive learning to make it work in unlabelled scenarios. Extensive experiments demonstrate the superiority of the proposed approaches.

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison, regression, classification, and more. Traditional approaches to learning a set of graphs heavily rely on hand-crafted features, such as substructures. But while these methods benefit from good interpretability, they often suffer from computational bottlenecks as they cannot skirt the graph isomorphism problem. Conversely, deep learning has helped graph-level learning adapt to the growing scale of graphs by extracting features automatically and encoding graphs into low-dimensional representations. As a result, these deep graph learning methods have been responsible for many successes. Yet, there is no comprehensive survey that reviews graph-level learning starting with traditional learning and moving through to the deep learning approaches. This article fills this gap and frames the representative algorithms into a systematic taxonomy covering traditional learning, graph-level deep neural networks, graph-level graph neural networks, and graph pooling. To ensure a thoroughly comprehensive survey, the evolutions, interactions, and communications between methods from four different branches of development are also examined. This is followed by a brief review of the benchmark data sets, evaluation metrics, and common downstream applications. The survey concludes with a broad overview of 12 current and future directions in this booming field.

Anomaly analytics is a popular and vital task in various research contexts, which has been studied for several decades. At the same time, deep learning has shown its capacity in solving many graph-based tasks like, node classification, link prediction, and graph classification. Recently, many studies are extending graph learning models for solving anomaly analytics problems, resulting in beneficial advances in graph-based anomaly analytics techniques. In this survey, we provide a comprehensive overview of graph learning methods for anomaly analytics tasks. We classify them into four categories based on their model architectures, namely graph convolutional network (GCN), graph attention network (GAT), graph autoencoder (GAE), and other graph learning models. The differences between these methods are also compared in a systematic manner. Furthermore, we outline several graph-based anomaly analytics applications across various domains in the real world. Finally, we discuss five potential future research directions in this rapidly growing field.

Time series anomaly detection has applications in a wide range of research fields and applications, including manufacturing and healthcare. The presence of anomalies can indicate novel or unexpected events, such as production faults, system defects, or heart fluttering, and is therefore of particular interest. The large size and complex patterns of time series have led researchers to develop specialised deep learning models for detecting anomalous patterns. This survey focuses on providing structured and comprehensive state-of-the-art time series anomaly detection models through the use of deep learning. It providing a taxonomy based on the factors that divide anomaly detection models into different categories. Aside from describing the basic anomaly detection technique for each category, the advantages and limitations are also discussed. Furthermore, this study includes examples of deep anomaly detection in time series across various application domains in recent years. It finally summarises open issues in research and challenges faced while adopting deep anomaly detection models., Comment: 42 pages, 12 figures, 5 tables

Graph anomaly detection in this paper aims to distinguish abnormal nodes that behave differently from the benign ones accounting for the majority of graph-structured instances. Receiving increasing attention from both academia and industry, yet existing research on this task still suffers from two critical issues when learning informative anomalous behavior from graph data. For one thing, anomalies are usually hard to capture because of their subtle abnormal behavior and the shortage of background knowledge about them, which causes severe anomalous sample scarcity. Meanwhile, the overwhelming majority of objects in real-world graphs are normal, bringing the class imbalance problem as well. To bridge the gaps, this paper devises a novel Data Augmentation-based Graph Anomaly Detection (DAGAD) framework for attributed graphs, equipped with three specially designed modules: 1) an information fusion module employing graph neural network encoders to learn representations, 2) a graph data augmentation module that fertilizes the training set with generated samples, and 3) an imbalance-tailored learning module to discriminate the distributions of the minority (anomalous) and majority (normal) classes. A series of experiments on three datasets prove that DAGAD outperforms ten state-of-the-art baseline detectors concerning various mostly-used metrics, together with an extensive ablation study validating the strength of our proposed modules., Comment: Regular paper accepted by the 22nd IEEE International Conference on Data Mining (ICDM 2022)

In recent years, the Neurosymbolic framework has attracted a lot of attention in various applications, from recommender systems and information retrieval to healthcare and finance. This success is due to its stellar performance combined with attractive properties, such as learning and reasoning. The new emerging Neurosymbolic field is currently experiencing a renaissance, as novel frameworks and algorithms motivated by various practical applications are being introduced, building on top of the classical neural and reasoning problem setting. This article aims to provide a comprehensive review of significant recent developments in real-world applications of Neurosymbolic Artificial Intelligence. Specifically, we introduce a taxonomy of common Neurosymbolic applications and summarize the state-of-the-art for each of those domains. Furthermore, we identify important current trends and provide new perspectives pertaining to the future of this burgeoning field.

Link prediction is an important task that has wide applications in various domains. However, the majority of existing link prediction approaches assume the given graph follows homophily assumption, and designs similarity-based heuristics or representation learning approaches to predict links. However, many real-world graphs are heterophilic graphs, where the homophily assumption does not hold, which challenges existing link prediction methods. Generally, in heterophilic graphs, there are many latent factors causing the link formation, and two linked nodes tend to be similar in one or two factors but might be dissimilar in other factors, leading to low overall similarity. Thus, one way is to learn disentangled representation for each node with each vector capturing the latent representation of a node on one factor, which paves a way to model the link formation in heterophilic graphs, resulting in better node representation learning and link prediction performance. However, the work on this is rather limited. Therefore, in this paper, we study a novel problem of exploring disentangled representation learning for link prediction on heterophilic graphs. We propose a novel framework DisenLink which can learn disentangled representations by modeling the link formation and perform factor-aware message-passing to facilitate link prediction. Extensive experiments on 13 real-world datasets demonstrate the effectiveness of DisenLink for link prediction on both heterophilic and hemophiliac graphs. Our codes are available at https://github.com/sjz5202/DisenLink

Recent years have witnessed remarkable success achieved by graph neural networks (GNNs) in many real-world applications such as recommendation and drug discovery. Despite the success, oversmoothing has been identified as one of the key issues which limit the performance of deep GNNs. It indicates that the learned node representations are highly indistinguishable due to the stacked aggregators. In this paper, we propose a new perspective to look at the performance degradation of deep GNNs, i.e., feature overcorrelation. Through empirical and theoretical study on this matter, we demonstrate the existence of feature overcorrelation in deeper GNNs and reveal potential reasons leading to this issue. To reduce the feature correlation, we propose a general framework DeCorr which can encourage GNNs to encode less redundant information. Extensive experiments have demonstrated that DeCorr can help enable deeper GNNs and is complementary to existing techniques tackling the oversmoothing issue., Comment: Accepted by KDD 2022

Graph-structured data consisting of objects (i.e., nodes) and relationships among objects (i.e., edges) are ubiquitous. Graph-level learning is a matter of studying a collection of graphs instead of a single graph. Traditional graph-level learning methods used to be the mainstream. However, with the increasing scale and complexity of graphs, Graph-level Neural Networks (GLNNs, deep learning-based graph-level learning methods) have been attractive due to their superiority in modeling high-dimensional data. Thus, a survey on GLNNs is necessary. To frame this survey, we propose a systematic taxonomy covering GLNNs upon deep neural networks, graph neural networks, and graph pooling. The representative and state-of-the-art models in each category are focused on this survey. We also investigate the reproducibility, benchmarks, and new graph datasets of GLNNs. Finally, we conclude future directions to further push forward GLNNs. The repository of this survey is available at https://github.com/GeZhangMQ/Awesome-Graph-level-Neural-Networks.

In recent years, sequential recommender systems (SRSs) and session-based recommender systems (SBRSs) have emerged as a new paradigm of RSs to capture users' short-term but dynamic preferences for enabling more timely and accurate recommendations. Although SRSs and SBRSs have been extensively studied, there are many inconsistencies in this area caused by the diverse descriptions, settings, assumptions and application domains. There is no work to provide a unified framework and problem statement to remove the commonly existing and various inconsistencies in the area of SR/SBR. There is a lack of work to provide a comprehensive and systematic demonstration of the data characteristics, key challenges, most representative and state-of-the-art approaches, typical real-world applications and important future research directions in the area. This work aims to fill in these gaps so as to facilitate further research in this exciting and vibrant area.

Graph learning is a popular approach for performing machine learning on graph-structured data. It has revolutionized the machine learning ability to model graph data to address downstream tasks. Its application is wide due to the availability of graph data ranging from all types of networks to information systems. Most graph learning methods assume that the graph is static and its complete structure is known during training. This limits their applicability since they cannot be applied to problems where the underlying graph grows over time and/or new tasks emerge incrementally. Such applications require a lifelong learning approach that can learn the graph continuously and accommodate new information whilst retaining previously learned knowledge. Lifelong learning methods that enable continuous learning in regular domains like images and text cannot be directly applied to continuously evolving graph data, due to its irregular structure. As a result, graph lifelong learning is gaining attention from the research community. This survey paper provides a comprehensive overview of recent advancements in graph lifelong learning, including the categorization of existing methods, and the discussions of potential applications and open research problems., Comment: 19 pages, 4 figures