Jia Wu

Sheng Zhou, Hongjia Xu, Zhuonan Zheng et al.

Clustering is a fundamental machine learning task which has been widely studied in the literature. Classic clustering methods follow the assumption that data are represented as features in a vectorized form through various representation learning techniques. As the data become increasingly complicated and complex, the shallow (traditional) clustering methods can no longer handle the high-dimensional data type. With the huge success of deep learning, especially the deep unsupervised learning, many representation learning techniques with deep architectures have been proposed in the past decade. Recently, the concept of Deep Clustering, i.e., jointly optimizing the representation learning and clustering, has been proposed and hence attracted growing attention in the community. Motivated by the tremendous success of deep learning in clustering, one of the most fundamental machine learning tasks, and the large number of recent advances in this direction, in this paper we conduct a comprehensive survey on deep clustering by proposing a new taxonomy of different state-of-the-art approaches. We summarize the essential components of deep clustering and categorize existing methods by the ways they design interactions between deep representation learning and clustering. Moreover, this survey also provides the popular benchmark datasets, evaluation metrics and open-source implementations to clearly illustrate various experimental settings. Last but not least, we discuss the practical applications of deep clustering and suggest challenging topics deserving further investigations as future directions.

Ruitong Zhang, Hao Peng, Yingtong Dou et al.

DBSCAN is widely used in many scientific and engineering fields because of its simplicity and practicality. However, due to its high sensitivity parameters, the accuracy of the clustering result depends heavily on practical experience. In this paper, we first propose a novel Deep Reinforcement Learning guided automatic DBSCAN parameters search framework, namely DRL-DBSCAN. The framework models the process of adjusting the parameter search direction by perceiving the clustering environment as a Markov decision process, which aims to find the best clustering parameters without manual assistance. DRL-DBSCAN learns the optimal clustering parameter search policy for different feature distributions via interacting with the clusters, using a weakly-supervised reward training policy network. In addition, we also present a recursive search mechanism driven by the scale of the data to efficiently and controllably process large parameter spaces. Extensive experiments are conducted on five artificial and real-world datasets based on the proposed four working modes. The results of offline and online tasks show that the DRL-DBSCAN not only consistently improves DBSCAN clustering accuracy by up to 26% and 25% respectively, but also can stably find the dominant parameters with high computational efficiency. The code is available at https://github.com/RingBDStack/DRL-DBSCAN.

Nasrin Shabani, Jia Wu, Amin Beheshti et al.

As large-scale graphs become more widespread, more and more computational challenges with extracting, processing, and interpreting large graph data are being exposed. It is therefore natural to search for ways to summarize these expansive graphs while preserving their key characteristics. In the past, most graph summarization techniques sought to capture the most important part of a graph statistically. However, today, the high dimensionality and complexity of modern graph data are making deep learning techniques more popular. Hence, this paper presents a comprehensive survey of progress in deep learning summarization techniques that rely on graph neural networks (GNNs). Our investigation includes a review of the current state-of-the-art approaches, including recurrent GNNs, convolutional GNNs, graph autoencoders, and graph attention networks. A new burgeoning line of research is also discussed where graph reinforcement learning is being used to evaluate and improve the quality of graph summaries. Additionally, the survey provides details of benchmark datasets, evaluation metrics, and open-source tools that are often employed in experimentation settings, along with a detailed comparison, discussion, and takeaways for the research community focused on graph summarization. Finally, the survey concludes with a number of open research challenges to motivate further study in this area.

Fanzhen Liu, Xiaoxiao Ma, Jia Wu et al.

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.

Zhenyu Yang, Ge Zhang, Jia Wu et al.

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.

Jiaqian Ren, Lei Jiang, Hao Peng et al. · salesforce

The rising popularity of online social network services has attracted lots of research on mining social media data, especially on mining social events. Social event detection, due to its wide applications, has now become a trivial task. State-of-the-art approaches exploiting Graph Neural Networks (GNNs) usually follow a two-step strategy: 1) constructing text graphs based on various views (\textit{co-user}, \textit{co-entities} and \textit{co-hashtags}); and 2) learning a unified text representation by a specific GNN model. Generally, the results heavily rely on the quality of the constructed graphs and the specific message passing scheme. However, existing methods have deficiencies in both aspects: 1) They fail to recognize the noisy information induced by unreliable views. 2) Temporal information which works as a vital indicator of events is neglected in most works. To this end, we propose ETGNN, a novel Evidential Temporal-aware Graph Neural Network. Specifically, we construct view-specific graphs whose nodes are the texts and edges are determined by several types of shared elements respectively. To incorporate temporal information into the message passing scheme, we introduce a novel temporal-aware aggregator which assigns weights to neighbours according to an adaptive time exponential decay formula. Considering the view-specific uncertainty, the representations of all views are converted into mass functions through evidential deep learning (EDL) neural networks, and further combined via Dempster-Shafer theory (DST) to make the final detection. Experimental results on three real-world datasets demonstrate the effectiveness of ETGNN in accuracy, reliability and robustness in social event detection.

Jiaqian Ren, Lei Jiang, Hao Peng et al. · salesforce

Integrating multiple online social networks (OSNs) has important implications for many downstream social mining tasks, such as user preference modelling, recommendation, and link prediction. However, it is unfortunately accompanied by growing privacy concerns about leaking sensitive user information. How to fully utilize the data from different online social networks while preserving user privacy remains largely unsolved. To this end, we propose a Cross-network Social User Embedding framework, namely DP-CroSUE, to learn the comprehensive representations of users in a privacy-preserving way. We jointly consider information from partially aligned social networks with differential privacy guarantees. In particular, for each heterogeneous social network, we first introduce a hybrid differential privacy notion to capture the variation of privacy expectations for heterogeneous data types. Next, to find user linkages across social networks, we make unsupervised user embedding-based alignment in which the user embeddings are achieved by the heterogeneous network embedding technology. To further enhance user embeddings, a novel cross-network GCN embedding model is designed to transfer knowledge across networks through those aligned users. Extensive experiments on three real-world datasets demonstrate that our approach makes a significant improvement on user interest prediction tasks as well as defending user attribute inference attacks from embedding.

Dongcheng Zou, Hao Peng, Xiang Huang et al.

Graph Neural Networks (GNNs) are de facto solutions to structural data learning. However, it is susceptible to low-quality and unreliable structure, which has been a norm rather than an exception in real-world graphs. Existing graph structure learning (GSL) frameworks still lack robustness and interpretability. This paper proposes a general GSL framework, SE-GSL, through structural entropy and the graph hierarchy abstracted in the encoding tree. Particularly, we exploit the one-dimensional structural entropy to maximize embedded information content when auxiliary neighbourhood attributes are fused to enhance the original graph. A new scheme of constructing optimal encoding trees is proposed to minimize the uncertainty and noises in the graph whilst assuring proper community partition in hierarchical abstraction. We present a novel sample-based mechanism for restoring the graph structure via node structural entropy distribution. It increases the connectivity among nodes with larger uncertainty in lower-level communities. SE-GSL is compatible with various GNN models and enhances the robustness towards noisy and heterophily structures. Extensive experiments show significant improvements in the effectiveness and robustness of structure learning and node representation learning.

Zitai Qiu, Jia Wu, Jian Yang et al.

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.

Xusheng Zhao, Jia Wu, Hao Peng et al.

Modern neuroimaging techniques, such as diffusion tensor imaging (DTI) and functional magnetic resonance imaging (fMRI), enable us to model the human brain as a brain network or connectome. Capturing brain networks' structural information and hierarchical patterns is essential for understanding brain functions and disease states. Recently, the promising network representation learning capability of graph neural networks (GNNs) has prompted many GNN-based methods for brain network analysis to be proposed. Specifically, these methods apply feature aggregation and global pooling to convert brain network instances into meaningful low-dimensional representations used for downstream brain network analysis tasks. However, existing GNN-based methods often neglect that brain networks of different subjects may require various aggregation iterations and use GNN with a fixed number of layers to learn all brain networks. Therefore, how to fully release the potential of GNNs to promote brain network analysis is still non-trivial. To solve this problem, we propose a novel brain network representation framework, namely BN-GNN, which searches for the optimal GNN architecture for each brain network. Concretely, BN-GNN employs deep reinforcement learning (DRL) to train a meta-policy to automatically determine the optimal number of feature aggregations (reflected in the number of GNN layers) required for a given brain network. Extensive experiments on eight real-world brain network datasets demonstrate that our proposed BN-GNN improves the performance of traditional GNNs on different brain network analysis tasks.

Jiaqian Ren, Hao Peng, Lei Jiang et al. · salesforce

Real-world social events typically exhibit a severe class-imbalance distribution, which makes the trained detection model encounter a serious generalization challenge. Most studies solve this problem from the frequency perspective and emphasize the representation or classifier learning for tail classes. While in our observation, compared to the rarity of classes, the calibrated uncertainty estimated from well-trained evidential deep learning networks better reflects model performance. To this end, we propose a novel uncertainty-guided class imbalance learning framework - UCL$_{SED}$, and its variant - UCL-EC$_{SED}$, for imbalanced social event detection tasks. We aim to improve the overall model performance by enhancing model generalization to those uncertain classes. Considering performance degradation usually comes from misclassifying samples as their confusing neighboring classes, we focus on boundary learning in latent space and classifier learning with high-quality uncertainty estimation. First, we design a novel uncertainty-guided contrastive learning loss, namely UCL and its variant - UCL-EC, to manipulate distinguishable representation distribution for imbalanced data. During training, they force all classes, especially uncertain ones, to adaptively adjust a clear separable boundary in the feature space. Second, to obtain more robust and accurate class uncertainty, we combine the results of multi-view evidential classifiers via the Dempster-Shafer theory under the supervision of an additional calibration method. We conduct experiments on three severely imbalanced social event datasets including Events2012\_100, Events2018\_100, and CrisisLexT\_7. Our model significantly improves social event representation and classification tasks in almost all classes, especially those uncertain ones.

Xingcheng Fu, Yuecen Wei, Qingyun Sun et al.

Learning unbiased node representations for imbalanced samples in the graph has become a more remarkable and important topic. For the graph, a significant challenge is that the topological properties of the nodes (e.g., locations, roles) are unbalanced (topology-imbalance), other than the number of training labeled nodes (quantity-imbalance). Existing studies on topology-imbalance focus on the location or the local neighborhood structure of nodes, ignoring the global underlying hierarchical properties of the graph, i.e., hierarchy. In the real-world scenario, the hierarchical structure of graph data reveals important topological properties of graphs and is relevant to a wide range of applications. We find that training labeled nodes with different hierarchical properties have a significant impact on the node classification tasks and confirm it in our experiments. It is well known that hyperbolic geometry has a unique advantage in representing the hierarchical structure of graphs. Therefore, we attempt to explore the hierarchy-imbalance issue for node classification of graph neural networks with a novelty perspective of hyperbolic geometry, including its characteristics and causes. Then, we propose a novel hyperbolic geometric hierarchy-imbalance learning framework, named HyperIMBA, to alleviate the hierarchy-imbalance issue caused by uneven hierarchy-levels and cross-hierarchy connectivity patterns of labeled nodes.Extensive experimental results demonstrate the superior effectiveness of HyperIMBA for hierarchy-imbalance node classification tasks.

Xing Su, Jian Yang, Jia Wu et al.

Users' involvement in creating and propagating news is a vital aspect of fake news detection in online social networks. Intuitively, credible users are more likely to share trustworthy news, while untrusted users have a higher probability of spreading untrustworthy news. In this paper, we construct a dual-layer graph (i.e., the news layer and the user layer) to extract multiple relations of news and users in social networks to derive rich information for detecting fake news. Based on the dual-layer graph, we propose a fake news detection model named Us-DeFake. It learns the propagation features of news in the news layer and the interaction features of users in the user layer. Through the inter-layer in the graph, Us-DeFake fuses the user signals that contain credibility information into the news features, to provide distinctive user-aware embeddings of news for fake news detection. The training process conducts on multiple dual-layer subgraphs obtained by a graph sampler to scale Us-DeFake in large scale social networks. Extensive experiments on real-world datasets illustrate the superiority of Us-DeFake which outperforms all baselines, and the users' credibility signals learned by interaction relation can notably improve the performance of our model.

Yuecen Wei, Xingcheng Fu, Qingyun Sun et al.

Social networks are considered to be heterogeneous graph neural networks (HGNNs) with deep learning technological advances. HGNNs, compared to homogeneous data, absorb various aspects of information about individuals in the training stage. That means more information has been covered in the learning result, especially sensitive information. However, the privacy-preserving methods on homogeneous graphs only preserve the same type of node attributes or relationships, which cannot effectively work on heterogeneous graphs due to the complexity. To address this issue, we propose a novel heterogeneous graph neural network privacy-preserving method based on a differential privacy mechanism named HeteDP, which provides a double guarantee on graph features and topology. In particular, we first define a new attack scheme to reveal privacy leakage in the heterogeneous graphs. Specifically, we design a two-stage pipeline framework, which includes the privacy-preserving feature encoder and the heterogeneous link reconstructor with gradients perturbation based on differential privacy to tolerate data diversity and against the attack. To better control the noise and promote model performance, we utilize a bi-level optimization pattern to allocate a suitable privacy budget for the above two modules. Our experiments on four public benchmarks show that the HeteDP method is equipped to resist heterogeneous graph privacy leakage with admirable model generalization.

Fu Lin, Xuexiong Luo, Jia Wu et al.

Different from the current node-level anomaly detection task, the goal of graph-level anomaly detection is to find abnormal graphs that significantly differ from others in a graph set. Due to the scarcity of research on the work of graph-level anomaly detection, the detailed description of graph-level anomaly is insufficient. Furthermore, existing works focus on capturing anomalous graph information to learn better graph representations, but they ignore the importance of an effective anomaly score function for evaluating abnormal graphs. Thus, in this work, we first define anomalous graph information including node and graph property anomalies in a graph set and adopt node-level and graph-level information differences to identify them, respectively. Then, we introduce a discriminative graph-level anomaly detection framework with dual-students-teacher model, where the teacher model with a heuristic loss are trained to make graph representations more divergent. Then, two competing student models trained by normal and abnormal graphs respectively fit graph representations of the teacher model in terms of node-level and graph-level representation perspectives. Finally, we combine representation errors between two student models to discriminatively distinguish anomalous graphs. Extensive experiment analysis demonstrates that our method is effective for the graph-level anomaly detection task on graph datasets in the real world.

Chuang Liu, Yuyao Wang, Yibing Zhan et al.

Graph masked autoencoders (GMAE) have emerged as a significant advancement in self-supervised pre-training for graph-structured data. Previous GMAE models primarily utilize a straightforward random masking strategy for nodes or edges during training. However, this strategy fails to consider the varying significance of different nodes within the graph structure. In this paper, we investigate the potential of leveraging the graph's structural composition as a fundamental and unique prior in the masked pre-training process. To this end, we introduce a novel structure-guided masking strategy (i.e., StructMAE), designed to refine the existing GMAE models. StructMAE involves two steps: 1) Structure-based Scoring: Each node is evaluated and assigned a score reflecting its structural significance. Two distinct types of scoring manners are proposed: predefined and learnable scoring. 2) Structure-guided Masking: With the obtained assessment scores, we develop an easy-to-hard masking strategy that gradually increases the structural awareness of the self-supervised reconstruction task. Specifically, the strategy begins with random masking and progresses to masking structure-informative nodes based on the assessment scores. This design gradually and effectively guides the model in learning graph structural information. Furthermore, extensive experiments consistently demonstrate that our StructMAE method outperforms existing state-of-the-art GMAE models in both unsupervised and transfer learning tasks. Codes are available at https://github.com/LiuChuang0059/StructMAE.

Chuang Liu, Wenhang Yu, Kuang Gao et al.

Graph pooling has been increasingly recognized as crucial for Graph Neural Networks (GNNs) to facilitate hierarchical graph representation learning. Existing graph pooling methods commonly consist of two stages: selecting top-ranked nodes and discarding the remaining to construct coarsened graph representations. However, this paper highlights two key issues with these methods: 1) The process of selecting nodes to discard frequently employs additional Graph Convolutional Networks or Multilayer Perceptrons, lacking a thorough evaluation of each node's impact on the final graph representation and subsequent prediction tasks. 2) Current graph pooling methods tend to directly discard the noise segment (dropped) of the graph without accounting for the latent information contained within these elements. To address the first issue, we introduce a novel Graph Explicit Pooling (GrePool) method, which selects nodes by explicitly leveraging the relationships between the nodes and final representation vectors crucial for classification. The second issue is addressed using an extended version of GrePool (i.e., GrePool+), which applies a uniform loss on the discarded nodes. This addition is designed to augment the training process and improve classification accuracy. Furthermore, we conduct comprehensive experiments across 12 widely used datasets to validate our proposed method's effectiveness, including the Open Graph Benchmark datasets. Our experimental results uniformly demonstrate that GrePool outperforms 14 baseline methods for most datasets. Likewise, implementing GrePool+ enhances GrePool's performance without incurring additional computational costs.

Xuexiong Luo, Jia Wu, Jian Yang et al.

Exploring the complex structure of the human brain is crucial for understanding its functionality and diagnosing brain disorders. Thanks to advancements in neuroimaging technology, a novel approach has emerged that involves modeling the human brain as a graph-structured pattern, with different brain regions represented as nodes and the functional relationships among these regions as edges. Moreover, graph neural networks (GNNs) have demonstrated a significant advantage in mining graph-structured data. Developing GNNs to learn brain graph representations for brain disorder analysis has recently gained increasing attention. However, there is a lack of systematic survey work summarizing current research methods in this domain. In this paper, we aim to bridge this gap by reviewing brain graph learning works that utilize GNNs. We first introduce the process of brain graph modeling based on common neuroimaging data. Subsequently, we systematically categorize current works based on the type of brain graph generated and the targeted research problems. To make this research accessible to a broader range of interested researchers, we provide an overview of representative methods and commonly used datasets, along with their implementation sources. Finally, we present our insights on future research directions. The repository of this survey is available at \url{https://github.com/XuexiongLuoMQ/Awesome-Brain-Graph-Learning-with-GNNs}.

Xiaoxiao Ma, Jia Wu, Shan Xue et al.

Anomalies represent rare observations (e.g., data records or events) that deviate significantly from others. Over several decades, research on anomaly mining has received increasing interests due to the implications of these occurrences in a wide range of disciplines. Anomaly detection, which aims to identify rare observations, is among the most vital tasks in the world, and has shown its power in preventing detrimental events, such as financial fraud, network intrusion, and social spam. The detection task is typically solved by identifying outlying data points in the feature space and inherently overlooks the relational information in real-world data. Graphs have been prevalently used to represent the structural information, which raises the graph anomaly detection problem - identifying anomalous graph objects (i.e., nodes, edges and sub-graphs) in a single graph, or anomalous graphs in a database/set of graphs. However, conventional anomaly detection techniques cannot tackle this problem well because of the complexity of graph data. For the advent of deep learning, graph anomaly detection with deep learning has received a growing attention recently. In this survey, we aim to provide a systematic and comprehensive review of the contemporary deep learning techniques for graph anomaly detection. We compile open-sourced implementations, public datasets, and commonly-used evaluation metrics to provide affluent resources for future studies. More importantly, we highlight twelve extensive future research directions according to our survey results covering unsolved and emerging research problems and real-world applications. With this survey, our goal is to create a "one-stop-shop" that provides a unified understanding of the problem categories and existing approaches, publicly available hands-on resources, and high-impact open challenges for graph anomaly detection using deep learning.

Kun Li, Zhennan Wu, Shoupeng Wang et al.

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained by challenges such as large-scale multimodal data processing, limited task automation, and poor support for domain-specific tools. To overcome these limitations, we introduce DrugPilot, a LLM-based agent system with a parameterized reasoning architecture designed for end-to-end scientific workflows in drug discovery. DrugPilot enables multi-stage research processes by integrating structured tool use with a novel parameterized memory pool. The memory pool converts heterogeneous data from both public sources and user-defined inputs into standardized representations. This design supports efficient multi-turn dialogue, reduces information loss during data exchange, and enhances complex scientific decision-making. To support training and benchmarking, we construct a drug instruction dataset covering eight core drug discovery tasks. Under the Berkeley function-calling benchmark, DrugPilot significantly outperforms state-of-the-art agents such as ReAct and LoT, achieving task completion rates of 98.0%, 93.5%, and 64.0% for simple, multi-tool, and multi-turn scenarios, respectively. These results highlight DrugPilot's potential as a versatile agent framework for computational science domains requiring automated, interactive, and data-integrated reasoning.

Chuang Liu, Zelin Yao, Yibing Zhan et al.

Graph Masked Autoencoders (GMAEs) have emerged as a notable self-supervised learning approach for graph-structured data. Existing GMAE models primarily focus on reconstructing node-level information, categorizing them as single-scale GMAEs. This methodology, while effective in certain contexts, tends to overlook the complex hierarchical structures inherent in many real-world graphs. For instance, molecular graphs exhibit a clear hierarchical organization in the form of the atoms-functional groups-molecules structure. Hence, the inability of single-scale GMAE models to incorporate these hierarchical relationships often leads to their inadequate capture of crucial high-level graph information, resulting in a noticeable decline in performance. To address this limitation, we propose Hierarchical Graph Masked AutoEncoders (Hi-GMAE), a novel multi-scale GMAE framework designed to handle the hierarchical structures within graphs. First, Hi-GMAE constructs a multi-scale graph hierarchy through graph pooling, enabling the exploration of graph structures across different granularity levels. To ensure masking uniformity of subgraphs across these scales, we propose a novel coarse-to-fine strategy that initiates masking at the coarsest scale and progressively back-projects the mask to the finer scales. Furthermore, we integrate a gradual recovery strategy with the masking process to mitigate the learning challenges posed by completely masked subgraphs. Diverging from the standard graph neural network (GNN) used in GMAE models, Hi-GMAE modifies its encoder and decoder into hierarchical structures. This entails using GNN at the finer scales for detailed local graph analysis and employing a graph transformer at coarser scales to capture global information. Our experiments on 15 graph datasets consistently demonstrate that Hi-GMAE outperforms 17 state-of-the-art self-supervised competitors.

Mukun Chen, Jia Wu, Shirui Pan et al.

Molecular representation learning is pivotal in predicting molecular properties and advancing drug design. Traditional methodologies, which predominantly rely on homogeneous graph encoding, are limited by their inability to integrate external knowledge and represent molecular structures across different levels of granularity. To address these limitations, we propose a paradigm shift by encoding molecular graphs into heterogeneous structures, introducing a novel framework: Knowledge-aware Contrastive Heterogeneous Molecular Graph Learning (KCHML). This approach leverages contrastive learning to enrich molecular representations with embedded external knowledge. KCHML conceptualizes molecules through three distinct graph views-molecular, elemental, and pharmacological-enhanced by heterogeneous molecular graphs and a dual message-passing mechanism. This design offers a comprehensive representation for property prediction, as well as for downstream tasks such as drug-drug interaction (DDI) prediction. Extensive benchmarking demonstrates KCHML's superiority over state-of-the-art molecular property prediction models, underscoring its ability to capture intricate molecular features.

Qian Li, Shu Guo, Jia Wu et al.

Event extraction (EE), which acquires structural event knowledge from texts, can be divided into two sub-tasks: event type classification and element extraction (namely identifying triggers and arguments under different role patterns). As different event types always own distinct extraction schemas (i.e., role patterns), previous work on EE usually follows an isolated learning paradigm, performing element extraction independently for different event types. It ignores meaningful associations among event types and argument roles, leading to relatively poor performance for less frequent types/roles. This paper proposes a novel neural association framework for the EE task. Given a document, it first performs type classification via constructing a document-level graph to associate sentence nodes of different types, and adopting a graph attention network to learn sentence embeddings. Then, element extraction is achieved by building a universal schema of argument roles, with a parameter inheritance mechanism to enhance role preference for extracted elements. As such, our model takes into account type and role associations during EE, enabling implicit information sharing among them. Experimental results show that our approach consistently outperforms most state-of-the-art EE methods in both sub-tasks. Particularly, for types/roles with less training data, the performance is superior to the existing methods.

Jiaqian Ren, Hao Peng, Lei Jiang et al.

Recently published graph neural networks (GNNs) show promising performance at social event detection tasks. However, most studies are oriented toward monolingual data in languages with abundant training samples. This has left the more common multilingual settings and lesser-spoken languages relatively unexplored. Thus, we present a GNN that incorporates cross-lingual word embeddings for detecting events in multilingual data streams. The first exploit is to make the GNN work with multilingual data. For this, we outline a construction strategy that aligns messages in different languages at both the node and semantic levels. Relationships between messages are established by merging entities that are the same but are referred to in different languages. Non-English message representations are converted into English semantic space via the cross-lingual word embeddings. The resulting message graph is then uniformly encoded by a GNN model. In special cases where a lesser-spoken language needs to be detected, a novel cross-lingual knowledge distillation framework, called CLKD, exploits prior knowledge learned from similar threads in English to make up for the paucity of annotated data. Experiments on both synthetic and real-world datasets show the framework to be highly effective at detection in both multilingual data and in languages where training samples are scarce.

Qian Li, Jianxin Li, Jiawei Sheng et al.

Event extraction (EE) is a crucial research task for promptly apprehending event information from massive textual data. With the rapid development of deep learning, EE based on deep learning technology has become a research hotspot. Numerous methods, datasets, and evaluation metrics have been proposed in the literature, raising the need for a comprehensive and updated survey. This article fills the research gap by reviewing the state-of-the-art approaches, especially focusing on the general domain EE based on deep learning models. We introduce a new literature classification of current general domain EE research according to the task definition. Afterward, we summarize the paradigm and models of EE approaches, and then discuss each of them in detail. As an important aspect, we summarize the benchmarks that support tests of predictions and evaluation metrics. A comprehensive comparison among different approaches is also provided in this survey. Finally, we conclude by summarizing future research directions facing the research area.

Yang Guo, Tarique Anwar, Jian Yang et al.

With the rising demand of smart mobility, ride-hailing service is getting popular in the urban regions. These services maintain a system for serving the incoming trip requests by dispatching available vehicles to the pickup points. As the process should be socially and economically profitable, the task of vehicle dispatching is highly challenging, specially due to the time-varying travel demands and traffic conditions. Due to the uneven distribution of travel demands, many idle vehicles could be generated during the operation in different subareas. Most of the existing works on vehicle dispatching system, designed static relocation centers to relocate idle vehicles. However, as traffic conditions and demand distribution dynamically change over time, the static solution can not fit the evolving situations. In this paper, we propose a dynamic future demand aware vehicle dispatching system. It can dynamically search the relocation centers considering both travel demand and traffic conditions. We evaluate the system on real-world dataset, and compare with the existing state-of-the-art methods in our experiments in terms of several standard evaluation metrics and operation time. Through our experiments, we demonstrate that the proposed system significantly improves the serving ratio and with a very small increase in operation cost.

Xixun Lin, Jia Wu, Chuan Zhou et al.

User cold-start recommendation is a long-standing challenge for recommender systems due to the fact that only a few interactions of cold-start users can be exploited. Recent studies seek to address this challenge from the perspective of meta learning, and most of them follow a manner of parameter initialization, where the model parameters can be learned by a few steps of gradient updates. While these gradient-based meta-learning models achieve promising performances to some extent, a fundamental problem of them is how to adapt the global knowledge learned from previous tasks for the recommendations of cold-start users more effectively. In this paper, we develop a novel meta-learning recommender called task-adaptive neural process (TaNP). TaNP is a new member of the neural process family, where making recommendations for each user is associated with a corresponding stochastic process. TaNP directly maps the observed interactions of each user to a predictive distribution, sidestepping some training issues in gradient-based meta-learning models. More importantly, to balance the trade-off between model capacity and adaptation reliability, we introduce a novel task-adaptive mechanism. It enables our model to learn the relevance of different tasks and customize the global knowledge to the task-related decoder parameters for estimating user preferences. We validate TaNP on multiple benchmark datasets in different experimental settings. Empirical results demonstrate that TaNP yields consistent improvements over several state-of-the-art meta-learning recommenders.

Yuwei Cao, Hao Peng, Jia Wu et al.

Social events provide valuable insights into group social behaviors and public concerns and therefore have many applications in fields such as product recommendation and crisis management. The complexity and streaming nature of social messages make it appealing to address social event detection in an incremental learning setting, where acquiring, preserving, and extending knowledge are major concerns. Most existing methods, including those based on incremental clustering and community detection, learn limited amounts of knowledge as they ignore the rich semantics and structural information contained in social data. Moreover, they cannot memorize previously acquired knowledge. In this paper, we propose a novel Knowledge-Preserving Incremental Heterogeneous Graph Neural Network (KPGNN) for incremental social event detection. To acquire more knowledge, KPGNN models complex social messages into unified social graphs to facilitate data utilization and explores the expressive power of GNNs for knowledge extraction. To continuously adapt to the incoming data, KPGNN adopts contrastive loss terms that cope with a changing number of event classes. It also leverages the inductive learning ability of GNNs to efficiently detect events and extends its knowledge from previously unseen data. To deal with large social streams, KPGNN adopts a mini-batch subgraph sampling strategy for scalable training, and periodically removes obsolete data to maintain a dynamic embedding space. KPGNN requires no feature engineering and has few hyperparameters to tune. Extensive experiment results demonstrate the superiority of KPGNN over various baselines.

Qingyun Sun, Jianxin Li, Hao Peng et al.

Graph representation learning has attracted increasing research attention. However, most existing studies fuse all structural features and node attributes to provide an overarching view of graphs, neglecting finer substructures' semantics, and suffering from interpretation enigmas. This paper presents a novel hierarchical subgraph-level selection and embedding based graph neural network for graph classification, namely SUGAR, to learn more discriminative subgraph representations and respond in an explanatory way. SUGAR reconstructs a sketched graph by extracting striking subgraphs as the representative part of the original graph to reveal subgraph-level patterns. To adaptively select striking subgraphs without prior knowledge, we develop a reinforcement pooling mechanism, which improves the generalization ability of the model. To differentiate subgraph representations among graphs, we present a self-supervised mutual information mechanism to encourage subgraph embedding to be mindful of the global graph structural properties by maximizing their mutual information. Extensive experiments on six typical bioinformatics datasets demonstrate a significant and consistent improvement in model quality with competitive performance and interpretability.

Di Jin, Zhizhi Yu, Pengfei Jiao et al.

Community detection, a fundamental task for network analysis, aims to partition a network into multiple sub-structures to help reveal their latent functions. Community detection has been extensively studied in and broadly applied to many real-world network problems. Classical approaches to community detection typically utilize probabilistic graphical models and adopt a variety of prior knowledge to infer community structures. As the problems that network methods try to solve and the network data to be analyzed become increasingly more sophisticated, new approaches have also been proposed and developed, particularly those that utilize deep learning and convert networked data into low dimensional representation. Despite all the recent advancement, there is still a lack of insightful understanding of the theoretical and methodological underpinning of community detection, which will be critically important for future development of the area of network analysis. In this paper, we develop and present a unified architecture of network community-finding methods to characterize the state-of-the-art of the field of community detection. Specifically, we provide a comprehensive review of the existing community detection methods and introduce a new taxonomy that divides the existing methods into two categories, namely probabilistic graphical model and deep learning. We then discuss in detail the main idea behind each method in the two categories. Furthermore, to promote future development of community detection, we release several benchmark datasets from several problem domains and highlight their applications to various network analysis tasks. We conclude with discussions of the challenges of the field and suggestions of possible directions for future research.

Chaochao Chen, Jamie Cui, Guanfeng Liu et al.

Knowledge Graph (KG) has attracted more and more companies' attention for its ability to connect different types of data in meaningful ways and support rich data services. However, the data isolation problem limits the performance of KG and prevents its further development. That is, multiple parties have their own KGs but they cannot share with each other due to regulation or competition reasons. Therefore, how to conduct privacy preserving KG becomes an important research question to answer. That is, multiple parties conduct KG related tasks collaboratively on the basis of protecting the privacy of multiple KGs. To date, there is few work on solving the above KG isolation problem. In this paper, to fill this gap, we summarize the open problems for privacy preserving KG in data isolation setting and propose possible solutions for them. Specifically, we summarize the open problems in privacy preserving KG from four aspects, i.e., merging, query, representation, and completion. We present these problems in details and propose possible technical solutions for them. Moreover, we present three privacy preserving KG-aware applications and simply describe how can our proposed techniques be applied into these applications.

Shichao Zhu, Shirui Pan, Chuan Zhou et al.

While numerous approaches have been developed to embed graphs into either Euclidean or hyperbolic spaces, they do not fully utilize the information available in graphs, or lack the flexibility to model intrinsic complex graph geometry. To utilize the strength of both Euclidean and hyperbolic geometries, we develop a novel Geometry Interaction Learning (GIL) method for graphs, a well-suited and efficient alternative for learning abundant geometric properties in graph. GIL captures a more informative internal structural features with low dimensions while maintaining conformal invariance of each space. Furthermore, our method endows each node the freedom to determine the importance of each geometry space via a flexible dual feature interaction learning and probability assembling mechanism. Promising experimental results are presented for five benchmark datasets on node classification and link prediction tasks.

Qi Huang, Junshuai Yu, Jia Wu et al.

With the rapid development of mobile Internet technology and the widespread use of mobile devices, it becomes much easier for people to express their opinions on social media. The openness and convenience of social media platforms provide a free expression for people but also cause new social problems. The widespread of false rumors on social media can bring about the panic of the public and damage personal reputation, which makes rumor automatic detection technology become particularly necessary. The majority of existing methods for rumor detection focus on mining effective features from text contents, user profiles, and patterns of propagation. Nevertheless, these methods do not take full advantage of global semantic relations of the text contents, which characterize the semantic commonality of rumors as a key factor for detecting rumors. In this paper, we construct a tweet-word-user heterogeneous graph based on the text contents and the source tweet propagations of rumors. A meta-path based heterogeneous graph attention network framework is proposed to capture the global semantic relations of text contents, together with the global structure information of source tweet propagations for rumor detection. Experiments on real-world Twitter data demonstrate the superiority of the proposed approach, which also has a comparable ability to detect rumors at a very early stage.

Pan Xiao, Bo Du, Jia Wu et al.

Domain adaptation refers to the process of learning prediction models in a target domain by making use of data from a source domain. Many classic methods solve the domain adaptation problem by establishing a common latent space, which may cause the loss of many important properties across both domains. In this manuscript, we develop a novel method, transfer latent representation (TLR), to learn a better latent space. Specifically, we design an objective function based on a simple linear autoencoder to derive the latent representations of both domains. The encoder in the autoencoder aims to project the data of both domains into a robust latent space. Besides, the decoder imposes an additional constraint to reconstruct the original data, which can preserve the common properties of both domains and reduce the noise that causes domain shift. Experiments on cross-domain tasks demonstrate the advantages of TLR over competing methods.

Chenglong Dai, Jia Wu, Dechang Pi et al.

Brain Electroencephalography (EEG) classification is widely applied to analyze cerebral diseases in recent years. Unfortunately, invalid/noisy EEGs degrade the diagnosis performance and most previously developed methods ignore the necessity of EEG selection for classification. To this end, this paper proposes a novel maximum weight clique-based EEG selection approach, named mwcEEGs, to map EEG selection to searching maximum similarity-weighted cliques from an improved Fréchet distance-weighted undirected EEG graph simultaneously considering edge weights and vertex weights. Our mwcEEGs improves the classification performance by selecting intra-clique pairwise similar and inter-clique discriminative EEGs with similarity threshold $δ$. Experimental results demonstrate the algorithm effectiveness compared with the state-of-the-art time series selection algorithms on real-world EEG datasets.

Chengjun Li, Jia Wu

In distributed evolutionary algorithms, migration interval is used to decide migration moments. Nevertheless, migration moments predetermined by intervals cannot match the dynamic situation of evolution. In this paper, a scheme of setting the success rate of migration based on subpopulation diversity at each interval is proposed. With the scheme, migration still occurs at intervals, but the probability of immigrants entering the target subpopulation will be determined by the diversity of this subpopulation according to a proposed formula. An analysis shows that the time consumption of our scheme is acceptable. In our experiments, the basement of parallelism is an evolutionary algorithm for the traveling salesman problem. Under different value combinations of parameters for the formula, outcomes for eight benchmark instances of the distributed evolutionary algorithm with the proposed scheme are compared with those of a traditional one, respectively. Results show that the distributed evolutionary algorithm based on our scheme has a significant advantage on solutions especially for high difficulty instances. Moreover, it can be seen that the algorithm with the scheme has the most outstanding performance under three value combinations of above-mentioned parameters for the formula.

Haishuai Wang, Jia Wu, Peng Zhang et al.

This paper formulates the problem of learning discriminative features (\textit{i.e.,} segments) from networked time series data considering the linked information among time series. For example, social network users are considered to be social sensors that continuously generate social signals (tweets) represented as a time series. The discriminative segments are often referred to as \emph{shapelets} in a time series. Extracting shapelets for time series classification has been widely studied. However, existing works on shapelet selection assume that the time series are independent and identically distributed (i.i.d.). This assumption restricts their applications to social networked time series analysis, since a user's actions can be correlated to his/her social affiliations. In this paper we propose a new Network Regularized Least Squares (NetRLS) feature selection model that combines typical time series data and user network data for analysis. Experiments on real-world networked time series Twitter and DBLP data demonstrate the performance of the proposed method. NetRLS performs better than LTS, the state-of-the-art time series feature selection approach, on real-world data.

Dongkuan Xu, Jia Wu, Wei Zhang et al.

Positive instance detection, especially for these in positive bags (true positive instances, TPIs), plays a key role for multiple instance learning (MIL) arising from a specific classification problem only provided with bag (a set of instances) label information. However, most previous MIL methods on this issue ignore the global similarity among positive instances and that negative instances are non-i.i.d., usually resulting in the detection of TPI not precise and sensitive to outliers. To the end, we propose a positive instance detection via graph updating for multiple instance learning, called PIGMIL, to detect TPI accurately. PIGMIL selects instances from working sets (WSs) of some working bags (WBs) as positive candidate pool (PCP). The global similarity among positive instances and the robust discrimination of instances of PCP from negative instances are measured to construct the consistent similarity and discrimination graph (CSDG). As a result, the primary goal (i.e. TPI detection) is transformed into PCP updating, which is approximated efficiently by updating CSDG with a random walk ranking algorithm and an instance updating strategy. At last bags are transformed into feature representation vector based on the identified TPIs to train a classifier. Extensive experiments demonstrate the high precision of PIGMIL's detection of TPIs and its excellent performance compared to classic baseline MIL methods.

Yiou Lin, Hang Lei, Jia Wu et al.

In this article, how word embeddings can be used as features in Chinese sentiment classification is presented. Firstly, a Chinese opinion corpus is built with a million comments from hotel review websites. Then the word embeddings which represent each comment are used as input in different machine learning methods for sentiment classification, including SVM, Logistic Regression, Convolutional Neural Network (CNN) and ensemble methods. These methods get better performance compared with N-gram models using Naive Bayes (NB) and Maximum Entropy (ME). Finally, a combination of machine learning methods is proposed which presents an outstanding performance in precision, recall and F1 score. After selecting the most useful methods to construct the combinational model and testing over the corpus, the final F1 score is 0.920.