Recent advances in large language models (LLMs) have enabled promising progress in diagnosis prediction from electronic health records (EHRs). However, existing LLM-based approaches tend to overfit to historically observed diagnoses, often overlooking novel yet clinically important conditions that are critical for early intervention. To address this, we propose EviCare, an in-context reasoning framework that integrates deep model guidance into LLM-based diagnosis prediction. Rather than prompting LLMs directly with raw EHR inputs, EviCare performs (1) deep model inference for candidate selection, (2) evidential prioritization for set-based EHRs, and (3) relational evidence construction for novel diagnosis prediction. These signals are then composed into an adaptive in-context prompt to guide LLM reasoning in an accurate and interpretable manner. Extensive experiments on two real-world EHR benchmarks (MIMIC-III and MIMIC-IV) demonstrate that EviCare achieves significant performance gains, which consistently outperforms both LLM-only and deep model-only baselines by an average of 20.65% across precision and accuracy metrics. The improvements are particularly notable in challenging novel diagnosis prediction, yielding average improvements of 30.97%.

Multi-Agent Systems (MAS) offer a powerful paradigm for solving complex problems, yet their performance is critically dependent on the design of their underlying collaboration topology. As MAS become increasingly deployed in web services (e.g., search engines), designing adaptive topologies for diverse cross-domain user queries becomes essential. Current graph learning-based design methodologies often adhere to a ''one-for-one'' paradigm, where a specialized model is trained for each specific task domain. This approach suffers from poor generalization to unseen domains and fails to leverage shared structural knowledge across different tasks. To address this, we propose OFA-MAS, a one-for-all framework that generates adaptive collaboration graphs for any task described in natural language through a single universal model. Our approach integrates a Task-Aware Graph State Encoder (TAGSE) that filters task-relevant node information via sparse gating, and a Mixture-of-Experts (MoE) architecture that dynamically selects specialized sub-networks to drive node and edge prediction. We employ a three-stage training strategy: unconditional pre-training on canonical topologies for structural priors, large-scale conditional pre-training on LLM-generated datasets for task-topology mappings, and supervised fine-tuning on empirically validated graphs. Experiments across six diverse benchmarks show that OFA-MAS significantly outperforms specialized one-for-one models, generating highly adaptive MAS topologies. Code: https://github.com/Shiy-Li/OFA-MAS.

Cross-domain recommendation (CDR) has emerged as a promising solution by effectively alleviating data sparsity by leveraging information from auxiliary domains. However, a major challenge in CDR is its dependence on predefined alignment rules (e.g., structural or distribution matching) to achieve cross-domain knowledge transfer, which impose fixed transfer patterns and lack the flexibly need for diverse cross-domain scenarios. Furthermore, most existing approaches still rely on coarse-grained representations. Knowledge transfer built upon imprecise representations can, even with improved alignment rules, instead lead to negative transfer in the target domain. To address these challenges and optimize recommendation efficacy, a new framework named meta-learning driven few-shot knowledge transfer with dual-stage adaptive data replay for cross-domain recommendation (MFACDR) is proposed. Specifically, a new meta-learning driven few-shot knowledge transfer method is proposed. This method leverages overlapping parts as anchors to guide the non-overlapping parts in autonomously exploring alignment rules through meta-learning, thus enabling few-shot knowledge transfer and flexible handling of different cross-domain scenarios. In addition, a dual-stage adaptive data replay mechanism is proposed, which enables fine-grained cross-domain adaptability and helps to mitigate negative transfer. Extensive experiments on three real-world datasets consistently demonstrate the superior effectiveness and robustness of the proposed MFACDR.

Unsupervised graph domain adaptation (UGDA) aims to transfer knowledge from a labeled source graph to an unlabeled target graph, addressing the performance degradation caused by distributional shifts in node attributes and graph structures across domains. Despite recent progress, existing UGDA approaches still face two key challenges: (C1) Data-level: Most methods rely on a single source domain, overlooking the complementary knowledge that could be leveraged from multiple sources. (C2) Model-level: Many UGDA models emphasize complex, handcrafted Graph neural network (GNN) architectures, while simpler yet effective designs with propagation (P) & transformation (T) pipeline remain underexplored. To address these challenges, in this paper, we propose a novel approach, which leverages Concise Propagation–Transformation pipeline for multi-source unsupervised Graph Domain Adaptation, dubbed as CPT-GDA, to better capture complementary knowledge from multiple sources in an efficient manner. Specifically, the proposed CPT-GDA adopts a dual-branch GNN architecture with different depths of propagation but the same P-T patterns, which enables the model to efficiently learn node representations to mitigate domain discrepancy. Meanwhile, to facilitate effective knowledge transfer across graphs, we derive three optimization objectives: (1) the classifier loss to learn discriminative representations; (2) the alignment loss weighted by the graph Wasserstein distance to align the structure and feature distribution; and (3) the pseudo-label loss to refine target node representations. Extensive experiments on real-world datasets confirm that the proposed method outperforms recent state-of-the-art baselines, demonstrating its effectiveness.

Every graph hides a tree: through tree decomposition—a foundational tool in modern graph theory with broad applications such as in computational power networks, any network can be unfolded into a hierarchy of overlapping vertex bags whose backbone is a tree. Leveraging this powerful lens, we propose Topological Decomposition for Self-supervised Learning (TopDSL), a framework that injects multi-scale signals into graph representation learning. Concretely, we: 1) decompose the input graph into tree structures with bags representing local structural contexts; 2) compute bag-level roles via closeness centrality for nodes and local edge betweenness for edges, and aggregate these scores across bags to capture context-dependent importance (e.g., local structural bridges); 3) convert the resulting importance and attribute-stability scores into a context-aware augmentation policy that adaptively perturbs nodes, edges, and features—preserving local bridges, honoring multi-community vertices, and attenuating noisy global hubs; 4) construct a new structural similarity loss for contrastive learning, which fuses traditional graph-based proximity with a novel tree-based similarity derived from node co-occurrence in decomposition bags; 5) demonstrate that our framework achieves superior performance over state-of-the-art baselines on various graph learning benchmarks.

Knowledge graphs (KGs) store enormous facts as relationships between entities. Due to the long-tailed distribution of relations and the incompleteness of KGs, there is growing interest in few-shot knowledge graph completion (FKGC). Existing FKGC methods often assume the existence of all entities in KGs, which may not be practical since new relations and entities can emerge over time. Therefore, we focus on a more challenging task called inductive few-shot knowledge graph completion (I-FKGC), where both relations and entities during the test phase are unknown before. Inspired by the idea of inductive reasoning, we cast I-FKGC as an inductive reasoning problem. Specifically, we propose a novel Graph Stochastic Neural Process ( GS-NP ) approach, which consists of two major modules. In the first module, to obtain a generalized hypothesis (e.g., shared subgraph), we present a neural process-based hypothesis extractor that models the joint distribution of hypothesis, from which we can sample a hypothesis for predictions. In the second module, based on the hypothesis, we propose a graph stochastic attention-based predictor to test if the triple in the query set aligns with the extracted hypothesis. Meanwhile, the predictor can generate an explanatory subgraph identified by the hypothesis. Finally, the training of these two modules is seamlessly combined into a unified objective function, of which the effectiveness is verified by theoretical analyses as well as empirical studies. Extensive experiments on three public datasets demonstrate that our method outperforms existing methods and derives new state-of-the-art performance.

Recent years have witnessed fast developments of graph neural networks (GNNs) that have benefited myriad graph analytic tasks and applications. Most GNNs rely on the homophily assumption that nodes belonging to the same class are more likely to be connected. However, as a ubiquitous graph property in numerous real-world scenarios, heterophily, i.e., nodes with different labels tend to be linked, significantly limits the performance of tailor-made homophilic GNNs. Hence, <italic xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">GNNs for heterophilic graphs</i> are gaining increasing research attention to enhance graph learning with heterophily. In this paper, we provide a comprehensive review of GNNs for heterophilic graphs. Specifically, we propose a systematic taxonomy that governs existing heterophilic GNN models, along with general summaries and detailed analyses. Furthermore, we discuss the relationship between heterophily and various graph research domains, aiming to facilitate the development of more effective GNNs across a spectrum of practical applications and learning tasks in the graph research community. In the end, we point out potential directions to advance and inspire future research and applications on heterophilic graph learning with GNNs.

Ocean salinity plays a vital role in circulation, climate, and marine ecosystems, yet its measurement is often sparse, irregular, and noisy, especially in drifter-based datasets. Traditional approaches, such as remote sensing and optimal interpolation, rely on linearity and stationarity, and are limited by cloud cover, sensor drift, and low satellite revisit rates. While machine learning models offer flexibility, they often fail under severe sparsity and lack principled ways to incorporate physical covariates without specialized sensors. In this paper, we introduce the OceAn Salinity Imputation System, a novel diffusion adversarial framework designed to address these challenges by: (1) employing a transformer-based global dependency capturing module to learn long-range spatio-temporal correlations from sparse trajectories; (2) constructing a generative imputation model that conditions on easily observed tidal covariates to progressively refine imputed salinity fields; and (3) using a scheduler diffusion method to enhance the model's robustness. This unified architecture exploits the periodic nature of tidal signals as a proxy for unmeasured physical drivers, without the need for additional equipment. We evaluate OASIS on four benchmark datasets, including one real-world measurement from Fort Pierce Inlet and three simulated Gulf of Mexico trajectories. Results show consistent improvements over both traditional and neural baselines, achieving up to 52.5% reduction in MAE compared to Kriging. We also develop a lightweight, web-based deployment system that enables salinity imputation through interactive and batch interfaces, available at: https://github.com/yfeng77/OASIS.

Graph Anomaly Detection (GAD) aims to identify nodes that deviate from the majority within a graph, playing a crucial role in applications such as social networks and e-commerce. Despite the current advancements in deep learning-based GAD, existing approaches often suffer from high deployment costs and poor scalability due to their complex and resource-intensive training processes. Surprisingly, our empirical findings suggest that the training phase of deep GAD methods, commonly perceived as crucial, may actually contribute less to anomaly detection performance than expected. Inspired by this, we propose FreeGAD, a novel training-free yet effective GAD method. Specifically, it leverages an affinity-gated residual encoder to generate anomaly-aware representations. Meanwhile, FreeGAD identifies anchor nodes as pseudo-normal and anomalous guides, followed by calculating anomaly scores through anchor-guided statistical deviations. Extensive experiments demonstrate that FreeGAD achieves superior anomaly detection performance, efficiency, and scalability on multiple benchmark datasets from diverse domains, without any training or iterative optimization.

Cross-domain recommendation (CDR) has demon-strated to be an effective solution for alleviating the user cold-start issue. By leveraging rich user-item interactions available in a richly informative source domain, CDR could improve the recommendation performance for cold-start users in the target domain. Previous CDR approaches mostly adhere the Embedding and Mapping (EMCDR) paradigm, which learns a user-shared mapping function to transfer users' preference from the source domain to the target domain, neglecting users' personalized preference. Recent CDR approaches further leverage the meta-learning paradigm, considering the CDR task for each user independently and learning user-specific mapping functions for each user. However, they mostly learn representations for each user individually, which ignores the common preference between different users, neglecting valuable information for CDR. In addition, all these approaches usually summarize the user's preference into an overall representation, which can hardly capture the user's multi-interest preference. To this end, we propose a personalized multi-interest modeling framework for CDR to cold-start users, termed as NF-NPCDR. Specifically, we propose a personalized preference encoder that enhances the neural process (NP) with the normalizing flow (NF) to convert the Gaussian (unimodal) distribution to a multimodal distribution, providing a novel way to capture the user's personalized multi-interest preference. Then, we propose a common preference encoder with a preference pool to capture the common preference between different users. Furthermore, we introduce a stochastic adaptive decoder to incorporate both the personalized and common preference for cold-start users, adaptively modulating both preference for better recommendation. Experimental evalu-ations demonstrate that NF-NPCDR outperforms previous SOTA approaches in five benchmark CDR scenarios.

As deep neural networks power increasingly critical applications, stealthy backdoor attacks, where poisoned training inputs trigger malicious model behaviour while appearing benign, pose a severe security risk. Many existing defences are vulnerable when attackers exploit subtle distance-based anomalies or when clean examples are scarce. To meet this challenge, we introduce TED++, a submanifold-aware framework that effectively detects subtle backdoors that evade existing defences. TED++ begins by constructing a tubular neighbourhood around each class's hidden-feature manifold, estimating its local “thickness” from a handful of clean activations. It then applies Locally Adaptive Ranking (LAR) to detect any activation that drifts outside the admissible tube. By aggregating these LAR-adjusted ranks across all layers, TED++ captures how faithfully an input remains on the evolving class submanifolds. Based on such characteristic “tube-constrained” behaviour, TED++ flags inputs whose LAR-based ranking sequences deviate significantly. Extensive experiments are conducted on benchmark datasets and tasks, demonstrating that TED++ achieves state-of-the-art detection performance under both adaptive-attack and limited-data scenarios. Remarkably, even with only five held-out examples per class, TED++ still delivers near-perfect detection, achieving gains of up to 14% in AUROC over the next-best method. The code is publicly available at https://github.com/namle-w/TEDpp.

Dynamic graph neural networks (DGNNs) have emerged as a leading paradigm for learning from dynamic graphs, which are commonly used to model real-world systems and applications. However, due to the evolving nature of dynamic graph data distributions over time, well-trained DGNNs often face significant performance uncertainty when inferring on unseen and unlabeled test graphs in practical deployment. In this case, evaluating the performance of deployed DGNNs at test time is crucial to determine whether a well-trained DGNN is suited for inference on an unseen dynamic test graph. In this work, we introduce a new research problem: DGNN model evaluation, which aims to assess the performance of a specific DGNN model trained on observed dynamic graphs by estimating its performance on unseen dynamic graphs during test time. Specifically, we propose a Dynamic Graph neural network Evaluator, dubbed DYGEvAL, toaddress this new problem. The proposed DyGEvAL involves a two-stage framework: (1) test-time dynamic graph simulation, which captures the training-test distributional differences as supervision signals and trains an evaluator; and (2) DyGEvAL development and training, which accurately estimates the performance of the well-trained DGNN model on the test-time dynamic graphs. Extensive experiments demonstrate that the proposed DyGEvAL serves as an effective evaluator for assessing various DGNN backbones across different dynamic graphs under distribution shifts.

Conversational Recommender Systems (CRSs) aim to provide personalized recommendations by capturing user preferences through interactive dialogues. Explainability in CRSs is crucial as it enables users to understand the reasoning behind recommendations, increasing system transparency and trustworthiness. However, current CRSs often leverage knowledge graphs (KGs) or language models to extract and represent user preferences as latent vectors, which limits their explainability. Large language models (LLMs) offer powerful reasoning capabilities that can bridge this gap by generating human-understandable preference summaries. However, effectively reasoning over user preferences in CRSs remains challenging as LLMs pre-trained on large-scale corpora may not be well-suited for analyzing user preferences, which requires domain-specific knowledge. While KGs provide rich domain knowledge, integrating them with LLMs encounters a significant modality gap between structured KG information and unstructured conversations. In this paper, we propose COMPASS (Compact Preference Analyzer and Summarization System), a plug-and-play framework that synergizes LLMs and KGs to reason over user preferences, enhancing the performance and explainability of existing CRSs. COMPASS employs a two-stage training approach: first, it bridges the gap between the structured KG and natural language through novel graph entity captioning pre-training. This enables the LLM to transform KG entities into natural language descriptions, allowing it to comprehend domain-specific knowledge. Next, COMPASS optimizes user preference reasoning via knowledgeaware instruction fine-tuning, where the LLM learns to reason and summarize user preferences from dialogue histories and KG-augmented context. This enables COMPASS to perform knowledge-aware reasoning and generate interpretable user preferences that can seamlessly integrate with existing CRS models for improving recommendation performance and explainability. Our experiments on benchmark datasets demonstrate the effectiveness of COMPASS in improving various CRS models.

Recent advancements in test-time adaptation (TTA) offer promising solutions for mitigating performance degradation caused by distribution shifts. However, they may fall short in practical deployment of GNNs during test time, due to the significant reliance on impractical retraining or modifications to online GNN models. To address such challenges, in this work, we propose a novel method, i.e., Test-Time Graph REBirth, dubbed TT-GREB, to effectively generalize the well-trained GNN models to the test-time graphs under distribution shifts by directly manipulating the test graph data. Concretely, we develop an overall framework designed by two principles for obtaining newly reborn test graphs, corresponding to two sub-modules: (1) prototype extractor for re-extracting the environment-invariant features of the test-time graph; and (2) environment refiner for re-fining the environment-varying features to explore the potential shifts. Furthermore, we propose a dual test-time graph contrastive learning objective with an effective iterative optimization strategy to obtain optimal prototype components and environmental components of the test graph. Extensive experiments on real-world graphs under diverse test-time distribution shifts verify the effectiveness of our proposed method, showcasing its superior ability to manipulate test-time graphs for better GNN generalization ability.

In recent years, the landscape of digital biomedicine and healthcare has been reshaped due to the disruptive breakthroughs in AIfacilitated by tremendous data and high-performance computers, large language models (LLMs) have transformed information technology from accessing data to performing analytical tasks.While demonstrating unprecedented capabilities, LLMs have been found unreliable in tasks requiring factual knowledge and rigorous reasoning.Biomedicine and healthcare, as an important vertical domain rapidly benefitting from progress in AI, necessitates strict requirements on the accuracy, controllability, and interpretability of analytical models, posing critical challenges for LLMs.Despite recent studies addressing the hallucination problem of LLMs, research on empowering LLMs with the ability to plan, reason, and ground with explicit knowledge has also started to prosper, especially in the biomedicine and healthcare domain.On the other hand, biomedical data are enormous and notoriously complex, coming from various sources (e.g., biomedical knowledge bases, online literature, and hospitals) and bearing various modalities (e.g., tables, texts, images and time-series).Healthcare professionals have spent decades collecting, cleaning, and curating various types of data.The processes are extremely costly, producing various datasets with different data schemas, coding systems, and quality standards, many privately

Spatio-Temporal (ST) data science, which includes sensing, managing, and mining large-scale data across space and time, is fundamental to understanding complex systems in domains such as urban computing, climate science, and intelligent transportation. Traditional deep learning approaches have significantly advanced this field, particularly in the stage of ST data mining. However, these models remain task-specific and often require extensive labeled data. Inspired by the success of Foundation Models (FM), especially large language models, researchers have begun exploring the concept of Spatio-Temporal Foundation Models (STFMs) to enhance adaptability and generalization across diverse ST tasks. Unlike prior architectures, STFMs empower the entire workflow of ST data science, ranging from data sensing, management, to mining, thereby offering a more holistic and scalable approach. Despite rapid progress, a systematic study of STFMs for ST data science remains lacking. This survey aims to provide a comprehensive review of STFMs, categorizing existing methodologies and identifying key research directions to advance ST general intelligence.

Owing to the unprecedented capability in semantic understanding and logical reasoning, large language models (LLMs) have shown fantastic potential in developing next-generation sequential recommender systems (RSs). However, existing LLM-based sequential RSs mostly separate index generation from sequential recommendation, leading to insufficient integration between semantic information and collaborative information. On the other hand, the neglect of user-related information hinders LLM-based sequential RSs from exploiting high-order user-item interaction patterns. In this paper, we propose the End-to-End Dual Dynamic (ED2) recommender, the first LLM-based sequential RS which adopts dual dynamic index mechanism, targeting resolving the above limitations simultaneously. The dual dynamic index mechanism can not only assembly index generation and sequential recommendation into a unified LLM-backbone pipeline, but also make it practical for LLM-based sequential recommender to take advantage of user-related information. Specifically, to facilitate the LLM comprehension ability to dual dynamic index, we propose a multigrained token regulator which constructs alignment supervision based on LLMs semantic knowledge across multiple representation granularities. Moreover, the associated user collection data and a series of novel instruction tuning tasks are specially customized to capture the high-order user-item interaction patterns. Extensive experiments on three public datasets demonstrate the superiority of ED2, achieving an average improvement of 19.62% in Hit-Rate and 21.11% in NDCG.

Knowledge Graph Query Embedding (KGQE) aims to embed First-Order Logic (FOL) queries in a low-dimensional KG space for complex reasoning over incomplete KGs. To enhance the generalization of KGQE models, recent studies integrate various external information (such as entity types and relation context) to better capture the logical semantics of FOL queries. The whole process is commonly referred to as Query Pattern Learning (QPL). However, current QPL methods typically suffer from the pattern-entity alignment bias problem, leading to the learned defective query patterns limiting KGQE models' performance. To address this problem, we propose an effective Query Instruction Parsing Plugin (QIPP) that leverages the context awareness of Pre-trained Language Models (PLMs) to capture latent query patterns from code-like query instructions. Unlike the external information introduced by previous QPL methods, we first propose code-like instructions to express FOL queries in an alternative format. This format utilizes textual variables and nested tuples to convey the logical semantics within FOL queries, serving as raw materials for a PLM-based instruction encoder to obtain complete query patterns. Building on this, we design a query-guided instruction decoder to adapt query patterns to KGQE models. To further enhance QIPP's effectiveness across various KGQE models, we propose a query pattern injection mechanism based on compressed optimization boundaries and an adaptive normalization component, allowing KGQE models to utilize query patterns more efficiently. Extensive experiments demonstrate that our plug-and-play method improves the performance of eight basic KGQE models and outperforms two state-of-the-art QPL methods.

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 Center-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.

Edge perturbation is a basic method to modify graph structures. It can be categorized into two veins based on their effects on the performance of graph neural networks (GNNs), i.e., graph data augmentation and attack. Surprisingly, both veins of edge perturbation methods employ the same operations, yet yield opposite effects on GNNs' accuracy. A distinct boundary between these methods in using edge perturbation has never been clearly defined. Consequently, inappropriate perturbations may lead to undesirable outcomes, necessitating precise adjustments to achieve desired effects. Therefore, questions of “why edge perturbation has a two-faced effect?” and “what makes edge perturbation flexible and effective?” still remain unanswered. In this paper, we will answer these questions by proposing a unified formulation and establishing a quantizable boundary between two categories of edge perturbation methods. Specifically, we conduct experiments to elucidate the differences and similarities between these methods and theoretically unify the workflow of these methods by casting it to one optimization problem. Then, we devise Edge Priority Detector (EPD) to generate a novel priority metric, bridging these methods up in the workflow. Experiments show that EPD can make augmentation or attack flexibly and achieve comparable or superior performance to other counterparts with less time overhead.

Increasing multiple behavior recommendation models have achieved great successes. However, many models do not consider commonalities and differences between behaviors and data sparsity of the target behavior. This article proposes a novel multi-behavior recommendation model based on contrastive clustering learning (MBRCC). Specifically, the graph convolutional network (GCN) is employed to obtain the embeddings of users and items, respectively. Then, three kinds of tasks (including behavior-level embedding, instance-level embedding, and cluster-level embedding) are designed to optimize the embeddings of users and items. In behavior-level embedding, we design an adaptive parameter learning strategy to analyze the impact of auxiliary behaviors on the target behavior. Then, the embeddings of users for each behavior are weighted to obtain the final embeddings of users. In instance-level embedding, we employ contrastive learning to analyze the instances of user and item for mitigating the issue of data sparsity. In cluster-level embedding, we design a new cluster contrastive learning method to capture the similarity between groups of user and item. Finally, we combine these three tasks to improve the quality of the embeddings of users and items. We conduct extensive experiments on three real-world datasets and experimental results indicate that the MBRCC remarkably outperforms numerous existing recommendation models.

Unsupervised graph representation learning (UGRL) based on graph neural networks (GNNs), has received increasing attention owing to its efficacy in handling graph-structured data. However, existing UGRL methods ideally assume that the node features are noise-free, which makes them fail to distinguish between useful information and noise when applied to real data with noisy features, thus affecting the quality of learned representations. This urges us to take node noisy features into account in real-world UGRL. With empirical analysis, we reveal that feature propagation, the essential operation in GNNs, acts as a "double-edged sword" in handling noisy features - it can both denoise and diffuse noise, leading to varying feature quality across nodes, even within the same node at different hops. Building on this insight, we propose a novel UGRL method based on Multi-hop feature Quality Estimation (MQE for short). Unlike most UGRL models that directly utilize propagation-based GNNs to generate representations, our approach aims to learn representations through estimating the quality of propagated features at different hops. Specifically, we introduce a Gaussian model that utilizes a learnable "meta-representation" as a condition to estimate the expectation and variance of multi-hop propagated features via neural networks. In this way, the ''meta representation'' captures the semantic and structural information underlying multiple propagated features but is naturally less susceptible to interference by noise, thereby serving as high-quality node representations beneficial for downstream tasks. Extensive experiments on multiple real-world datasets demonstrate that MQE in learning reliable node representations in scenarios with diverse types of feature noise.

Graph neural networks (GNNs) have gained significant attraction due to their expansive real-world applications. To build trustworthy GNNs, two aspects - fairness and privacy - have emerged as critical considerations. Previous studies have separately examined the fairness and privacy aspects of GNNs, revealing their tradeoff with GNN performance. Yet, the inter-play between these two aspects remains unexplored. In this paper, we pioneer the exploration of the interaction between the privacy risks of edge leakage and the individual fairness of a GNN. Our theoretical analysis unravels that edge privacy risks unfortunately escalate when the nodes' individual fairness improves. Such an issue hinders the accomplishment of privacy and fairness of GNNs at the same time. To balance fairness and privacy, we carefully introduce fairness-aware loss reweighting based on in-fluence function and privacy-aware graph structure perturbation modules within a fine-tuning mechanism. Experimental results underscore the effectiveness of our approach in achieving GNN fairness with limited performance compromise and controlled privacy risks. This work contributes to the comprehensively developing trustworthy GNNs by simultaneously addressing both fairness and privacy aspects.

Graph neural networks (GNNs) based on message passing have achieved remarkable performance in graph machine learning. By combining it with the power of pseudo labeling, one can further push forward the performance on the task of semi-supervised node classification. However, most existing works assume that the training node labels are purely noise-free, while this strong assumption usually does not hold in practice. GNNs will overfit the noisy training labels and the adverse effects of mislabeled nodes can be exaggerated by being propagated to the remaining nodes through the graph structure, exacerbating the model failure. Worse still, the noisy pseudo labels could also largely undermine the model's reliability without special treatment. In this paper, we revisit the role of (1) message passing and (2) pseudo labels in the studied problem and try to address two denoising subproblems from the model architecture and algorithm perspective, respectively. Specifically, we first develop a label-noise robust GNN that discards the coupled message-passing scheme. Despite its simple architecture, this learning backbone prevents overfitting to noisy labels and also inherently avoids the noise propagation issue. Moreover, we propose a novel reliable graph pseudo labeling algorithm that can effectively leverage the knowledge of unlabeled nodes while mitigating the adverse effects of noisy pseudo labels. Based on those novel designs, we can attain exceptional effectiveness and efficiency in solving the studied problem. We conduct extensive experiments on benchmark datasets for semi-supervised node classification with different levels of label noise and show new state-of-the-art performance. The code is available at https://github.com/DND-NET/DND-NET.

Time series analysis stands as a focal point within the data mining community, serving as a cornerstone for extracting valuable insights crucial to a myriad of real-world applications. Recent advances in Foundation Models (FMs) have fundamentally reshaped the paradigm of model design for time series analysis, boosting various downstream tasks in practice. These innovative approaches often leverage pre-trained or fine-tuned FMs to harness generalized knowledge tailored for time series analysis. This survey aims to furnish a comprehensive and up-to-date overview of FMs for time series analysis. While prior surveys have predominantly focused on either application or pipeline aspects of FMs in time series analysis, they have often lacked an in-depth understanding of the underlying mechanisms that elucidate why and how FMs benefit time series analysis. To address this gap, our survey adopts a methodology-centric classification, delineating various pivotal elements of time-series FMs, including model architectures, pre-training techniques, adaptation methods, and data modalities. Overall, this survey serves to consolidate the latest advancements in FMs pertinent to time series analysis, accentuating their theoretical underpinnings, recent strides in development, and avenues for future exploration.

Despite the recent progress of molecular representation learning, its effectiveness is assumed on the close-world assumptions that training and testing graphs are from identical distribution. The open-world test dataset is often mixed with out-of-distribution (OOD) samples, where the deployed models will struggle to make accurate predictions. The misleading estimations of molecules' properties in drug screening or design can result in the tremendous waste of wet-lab resources and delay the discovery of novel therapies. Traditional detection methods need to trade off OOD detection and in-distribution (ID) classification performance since they share the same representation learning model. In this work, we propose to detect OOD molecules by adopting an auxiliary diffusion model-based framework, which compares similarities between input molecules and reconstructed graphs. Due to the generative bias towards reconstructing ID training samples, the similarity scores of OOD molecules will be much lower to facilitate detection. Although it is conceptually simple, extending this vanilla framework to practical detection applications is still limited by two significant challenges. First, the popular similarity metrics based on Euclidian distance fail to consider the complex graph structure. Second, the generative model involving iterative denoising steps is notoriously time-consuming especially when it runs on the enormous pool of drugs. To address these challenges, our research pioneers an approach of Prototypical Graph Reconstruction for Molecular OOd Detection, dubbed as PGR-MOOD. Specifically, PGR-MOOD hinges on three innovations: i) An effective metric to comprehensively quantify the matching degree of input and reconstructed molecules according to their discrete edges and continuous node features; ii) A creative graph generator to construct a list of prototypical graphs that are in line with ID distribution but away from OOD one; iii) An efficient and scalable OOD detector to compare the similarity between test samples and pre-constructed prototypical graphs and omit the generative process on every new molecule. Extensive experiments on ten benchmark datasets and six baselines are conducted to demonstrate our superiority: PGR-MOOD achieves more than 8% of average improvement in terms of detection AUC and AUPR accompanied by the reduced cost of testing time and memory consumption. The anonymous code is in: https://github.com/se7esx/PGR-MOOD.

Graph Neural Networks (GNNs) have become pivotal tools for a range of graph-based learning tasks.Notably, most current GNN architectures operate under the assumption of homophily, whether explicitly or implicitly.While this underlying assumption is frequently adopted, it is not universally applicable, which can result in potential shortcomings in learning effectiveness.In this paper, for the first time, we transfer the prevailing concept of "one node one receptive field" to the heterophilic graph.By constructing a proxy label predictor, we enable each node to possess a latent prediction distribution, which assists connected nodes in determining whether they should aggregate their associated neighbors.Ultimately, every node can have its own unique aggregation hop and pattern, much like each snowflake is unique and possesses its own characteristics.Based on observations, we innovatively introduce the Heterophily Snowflake Hypothesis and provide an effective solution to guide and facilitate research on heterophilic graphs and beyond.We conduct comprehensive experiments including (1) main results on 10 graphs with varying heterophily ratios across 10 backbones; (2) scalability on various deep GNN backbones (SGC, JKNet, etc.) across various large number of layers (2,4,6,8,16,32 layers); (3) comparison with conventional snowflake hypothesis; (4) efficiency comparison with existing graph pruning algorithms.

Graph neural networks (GNNs) have achieved impressive performance in various graph-related tasks. However, recent studies have found that GNNs are vulnerable to adversarial attacks. Node injection attacks (NIA) become an emerging scenario of graph adversarial attacks, where the attacks are performed by injecting malicious nodes into the original graph instead of directly modifying it. In this paper, we focus on a more realistic scenario of NIA, where the attacker is only allowed to inject a small number of nodes to degrade the performance of GNNs with very limited information. We analyze the susceptibility of nodes, and based on this we propose a global node injection attack framework, MaxiMal, to maximize malicious information under a strict black-box setting. MaxiMal first introduces a susceptible-reverse influence sampling strategy to select neighbor nodes that are able to spread malicious information widely. Then contrastive loss is introduced to optimize the objective by updating the edges and features of the injected nodes. Extensive experiments on three benchmark datasets demonstrate the superiority of our proposed MaxiMal over the state-of-the-art approaches.

Active learning (AL), that aims to label limited data samples to effectively train the model, stands as a very cost-effective data labelling strategy in machine learning. Given the state-of-the-art performance GNNs have achieved in graph-based tasks, it is critical to design proper AL methods for graph neural networks (GNNs). However, existing GNN-based AL methods require considerable supervised information to guide the AL process, such as the GNN model to use, and initially labelled nodes and labels of newly selected nodes. Such dependency on supervised information limits both flexibility and scalabilty. In this paper, we propose an unsupervised, scalable and flexible AL method - it incurs low memory footprints and time cost, is flexible to the choice of underlying GNNs, and operates without requiring GNN-model-specific knowledge or labels of selected nodes. Specifically, we leverage the commonality of existing GNNs to reformulate the unsupervised AL problem as the Aggregation Involvement Maximization (AIM) problem. The objective of AIM is to maximize the involvement or participation of all nodes during the feature aggregation process of GNNs for nodes to be labelled. In this way, the aggregated features of labelled nodes can be diversified to a large extent, thereby benefiting the training of feature transformation matrices which are major trainable components in GNNs. We prove that the AIM problem is NP-hard and propose an efficient solution with theoretical guarantees. Extensive experiments on public datasets demonstrate the effectiveness, scalability and flexibility of our method. Our study is highly relevant to the track "Graph Algorithms and Modeling for the Web" since we focus one of the major listed topics "Graph Embedding and GNNs for the Web" and AL for GNNs, as an important research problem, is faced by aforementioned challenges to be tackled in this paper.

Temporal Knowledge Graphs (TKGs) incorporate a temporal dimension, allowing for a precise capture of the evolution of knowledge and reflecting the dynamic nature of the real world. Typically, TKGs contain complex geometric structures, with various geometric structures interwoven. However, existing Temporal Knowledge Graph Completion (TKGC) methods either model TKGs in a single space or neglect the heterogeneity of different curvature spaces, thus constraining their capacity to capture these intricate geometric structures. In this paper, we propose a novel Integrating Multi-curvature shared and specific Embedding (IME) model for TKGC tasks. Concretely, IME models TKGs into multi-curvature spaces, including hyperspherical, hyperbolic, and Euclidean spaces. Subsequently, IME incorporates two key properties, namely space-shared property and space-specific property. The space-shared property facilitates the learning of commonalities across different curvature spaces and alleviates the spatial gap caused by the heterogeneous nature of multi-curvature spaces, while the space-specific property captures characteristic features. Meanwhile, IME proposes an Adjustable Multi-curvature Pooling (AMP) approach to effectively retain important information. Furthermore, IME innovatively designs similarity, difference, and structure loss functions to attain the stated objective. Experimental results clearly demonstrate the superior performance of IME over existing state-of-the-art TKGC models.

Recommender systems have been widely adopted in various online personal e-commerce applications for improving user experience. A long-standing challenge in recommender systems is how to provide accurate recommendation to users in cold-start situations where only a few user-item interactions can be observed. Recently, meta learning methods provide a promising solution, and most of them follow a way of parameter initialization where predictions can be fast adapted via multiple gradient descent steps. While these meta-learning recommenders promote model performance, how to derive a fundamental paradigm that enables both flexible approximations of complex user interaction distributions and effective task adaptations of global knowledge still remains a critical yet under-explored problem. To this end, we present the Flow-based Adaptive Neural Process (FANP), a new probabilistic meta-learning model where estimating the preference of each user is governed by an underlying stochastic process. Following an encoder-decoder generative framework, FANP is an effective few-shot function estimator that directly maps limited user interactions to a predictive distribution without complicated gradient updates. Through introducing a conditional normalization flow-based encoder, FANP can get rid of the model bias on latent variables and thereby derive more flexible variational distributions. Meanwhile, we propose a task-adaptive mechanism capturing the relevance of different tasks for improving adaptation ability of global knowledge. The learned task-specific and task-relevant representations are simultaneously exploited to generate the decoder parameters via a novel modulation-augmented hypernetwork. FANP is evaluated on both scenario-specific and user-specific cold-start recommendations on various real-world datasets. Extensive experimental results and detailed model analyses demonstrate that our model yields superior performance compared with multiple state-of-the-art meta-learning recommenders.

Large language models (LLMs), such as ChatGPT and GPT4, are making new waves in the field of natural language processing and artificial intelligence, due to their emergent ability and generalizability. However, LLMs are black-box models, which often fall short of capturing and accessing factual knowledge. In contrast, Knowledge Graphs (KGs), Wikipedia and Huapu for example, are structured knowledge models that explicitly store rich factual knowledge. KGs can enhance LLMs by providing external knowledge for inference and interpretability. Meanwhile, KGs are difficult to construct and evolve by nature, which challenges the existing methods in KGs to generate new facts and represent unseen knowledge. Therefore, it is complementary to unify LLMs and KGs together and simultaneously leverage their advantages. In this article, we present a forward-looking roadmap for the unification of LLMs and KGs. Our roadmap consists of three general frameworks, namely,1) KG-enhanced LLMs,which incorporate KGs during the pre-training and inference phases of LLMs, or for the purpose of enhancing understanding of the knowledge learned by LLMs;2) LLM-augmented KGs,that leverage LLMs for different KG tasks such as embedding, completion, construction, graph-to-text generation, and question answering; and3) Synergized LLMs + KGs, in which LLMs and KGs play equal roles and work in a mutually beneficial way to enhance both LLMs and KGs for bidirectional reasoning driven by both data and knowledge. We review and summarize existing efforts within these three frameworks in our roadmap and pinpoint their future research directions.

Graph Neural Networks (GNNs) have achieved impressive performance in many tasks on graph data. Recent studies show that they are vulnerable to adversarial attacks. Deliberate and unnoticeable perturbations on topology structure could render them near-useless in applications. How to design effective methods to improve the robustness of GNNs is a crucial problem. To solve this problem, some works attempt to design more robust GNN models, while others attempt to remove perturbations from the poisoned graph. Different from the previous works, this paper proposes a general framework termed asGraphReshapeto enhance the robustness of GNNs via directly correcting the shifted classification boundary of GNN models in the presence of adversarial attacks.GraphReshapeconsists of two modules:locating tractive nodesthat could correct GNNs andreshaping local structureto improve their representations in the latent space. Extensive experiments on four real-world datasets show thatGraphReshapeachieves significant performance gain compared with state-of-the-art baselines against different adversarial attacks.

Recent studies have shifted their focus towards formulating traffic forecasting as a spatio-temporal graph modeling problem. Typically, they constructed a static spatial graph at each time step and then connected each node with itself between adjacent time steps to create a spatio-temporal graph. However, this approach failed to explicitly reflect the correlations between different nodes at different time steps, thus limiting the learning capability of graph neural networks. Additionally, those models overlooked the dynamic spatio-temporal correlations among nodes by using the same adjacency matrix across different time steps. To address these limitations, we propose a novel approach called Spatio-Temporal Joint Graph Convolutional Networks (STJGCN) for accurate traffic forecasting on road networks over multiple future time steps. Specifically, our method encompasses the construction of both pre-defined and adaptive spatio-temporal joint graphs (STJGs) between any two time steps, which represent comprehensive and dynamic spatio-temporal correlations. We further introduce dilated causal spatio-temporal joint graph convolution layers on the STJG to capture spatio-temporal dependencies from distinct perspectives with multiple ranges. To aggregate information from different ranges, we propose a multi-range attention mechanism. Finally, we evaluate our approach on five public traffic datasets and experimental results demonstrate that STJGCN is not only computationally efficient but also outperforms 11 state-of-the-art baseline methods.

Transfer learning-based recommendation mitigates the sparsity of user-item interactions by introducing auxiliary domains. Social influence extracted from direct connections between users typically serves as an auxiliary domain to improve prediction performance. However, direct social connections also face severe data sparsity problems that limit model performance. In contrast, users’ dependency on communities is another valuable social information that has not yet received sufficient attention. Although studies have incorporated community information into recommendation by aggregating users’ preferences within the same community, they seldom capture the structural discrepancies among communities and the influence of structural discrepancies on users’ preferences. To address these challenges, we propose a community-preserving recommendation framework with cyclic transfer learning, incorporating heterogeneous community influence into the rating domain. We analyze the characteristics of the community domain and its inter-influence on the rating domain, and construct link constraints and preference constraints in the community domain. The shared vectors that bridge the rating domain and the community domain are allowed to be more consistent with the characteristics of both domains. Extensive experiments are conducted on four real-world datasets. The results manifest the excellent performance of our approach in capturing real users’ preferences compared with other state-of-the-art methods.

Graph similarity learning is a significant and fundamental issue in the theory and analysis of graphs, which has been applied in a variety of fields, including object tracking, recommender systems, similarity search, and so on. Recent methods for graph similarity learning that utilize deep learning typically share two deficiencies: (1) they leverage graph neural networks as backbones for learning graph representations but have not well captured the complex information inside data, and (2) they employ a cross-graph attention mechanism for graph similarity learning, which is computationally expensive. Taking these limitations into consideration, a method for graph similarity learning is devised in this study, namely, Contrastive Graph Similarity Network (CGSim). To enhance graph similarity learning, CGSim makes use of the complementary information of two input graphs and captures pairwise relations in a contrastive learning framework. By developing a dual contrastive learning module with a node-graph matching and a graph-graph matching mechanism, our method significantly reduces the quadratic time complexity for cross-graph interaction modeling to linear time complexity. Jointly learning in an end-to-end framework, the graph representation embedding module and the well-designed contrastive learning module can be beneficial to one another. A comprehensive series of experiments indicate that CGSim outperforms state-of-the-art baselines on six datasets and significantly reduces the computational cost, which demonstrates our CGSim model’s superiority over other baselines.

Large-scale e-commercial platforms in the real-world usually contain various recommendation scenarios (domains) to meet demands of diverse customer groups. Multi-Domain Recommendation (MDR), which aims to jointly improve recommendations on all domains and easily scales to thousands of domains, has attracted increasing attention from practitioners and researchers. Existing MDR methods usually employ a shared structure and several specific components to respectively leverage reusable features and domain-specific information. However, data distribution differs across domains, making it challenging to develop a general model that can be applied to all circumstances. Additionally, during training, shared parameters often suffer from domain conflict while specific parameters are inclined to overfitting on data sparsity domains. In this paper, we first present a scalable MDR platform served in Taobao that enables to provide services for thousands of domains without specialists involved. To address the problems of MDR methods, we propose a novel model agnostic learning framework, namely MAMDR, for the multi-domain recommendation. Specifically, we first propose a Domain Negotiation (DN) strategy to alleviate the conflict between domains. Then, we develop a Domain Regularization (DR) to improve the generalizability of specific parameters by learning from other domains. We integrate these components into a unified framework and present MAMDR, which can be applied to any model structure to perform multi-domain recommendation. Finally, we present a large-scale implementation of MAMDR in the Taobao application and construct various public MDR benchmark datasets which can be used for following studies. Extensive experiments on both benchmark datasets and industry datasets demonstrate the effectiveness and generalizability of MAMDR.

The scalability problem has been one of the most significant barriers limiting the adoption of blockchains. Blockchain sharding is a promising approach to this problem. However, the sharding mechanism introduces a significant number of cross-shard transactions, which are expensive to process.This paper focuses on the transaction allocation problem to reduce the number of cross-shard transactions for better scalability. In particular, we systematically formulate the transaction allocation problem and convert it to the community detection problem on a graph. A deterministic and fast allocation scheme TxAllo is proposed to dynamically infer the allocation of accounts and their associated transactions. It directly optimizes the system throughput, considering both the number of cross-shard transactions and the workload balance among shards.We evaluate the performance of TxAllo on an Ethereum dataset containing over 91 million transactions. Our evaluation results show that for a blockchain with 60 shards, TxAllo reduces the cross-shard transaction ratio from 98% (by using traditional hash-based allocation) to about 12%. In the meantime, the workload balance is well maintained. Compared with other methods, the execution time of TxAllo is almost negligible. For example, when updating the allocation every hour, the execution of TxAllo only takes 0.5 seconds on average, whereas other concurrent works, such as BrokerChain (INFOCOM’22) leveraging the classic METIS method, require 422 seconds.

Node-level graph anomaly detection (GAD) plays a critical role in identifying anomalous nodes from graph-structured data in various domains such as medicine, social networks, and e-commerce. However, challenges have arisen due to the diversity of anomalies and the dearth of labeled data. Existing methodologies - reconstruction-based and contrastive learning - while effective, often suffer from efficiency issues, stemming from their complex objectives and elaborate modules. To improve the efficiency of GAD, we introduce a simple method termed PREprocessing and Matching (PREM for short). Our approach streamlines GAD, reducing time and memory consumption while maintaining powerful anomaly detection capabilities. Comprising two modules - a pre-processing module and an ego-neighbor matching module - PREM eliminates the necessity for message-passing propagation during training, and employs a simple contrastive loss, leading to considerable reductions in training time and memory usage. Moreover, our method demonstrated robustness and effectiveness in five datasets. Notably, when validated on the ACM dataset, PREM achieved a 5% improvement in AUC, a 9-fold increase in training speed, and sharply reduce memory usage compared to the most efficient baseline.

The task of network alignment is to obtain the node pairs which belong to the same entity from different networks. Existing embedding-based network alignment methods either use node structural or attribute information as inputs for node embeddings. These pieces of information are not always available in real-world datasets, and current methods that consider single information embedding may fail when there is excessive network noise. To address the aforementioned issue, we utilize a multi-layer Graph Attention Networks(GATs) to design an unsupervised node embedding model, which trains two GATs for structural and attribute information in a single graph and embeds the source nodes and target nodes into the same embedding space. By applying graph augmentation techniques, the model learns structural embeddings and attribute embeddings for every node in the networks based on structural and attribute consistency. Moreover, we apply a topological alignment refinement process to get aligned node pairs, which further enhances the accuracy of network alignment by leveraging the similarity of the structure between networks. Through extensive experiments, we have demonstrated that our model outperforms the state-of-the-art models in terms of alignment accuracy and its ability to handle attribute and structural noise. Additionally, our model exhibits relatively low complexity.

To analyze multivariate time series, most previous methods assume regular subsampling of time series, where the interval between adjacent measurements and the number of samples remain unchanged. Practically, data collection systems could produce irregularly sampled time series due to sensor failures and interventions. However, existing methods designed for regularly sampled multivariate time series cannot directly handle irregularity owing to misalignment along both temporal and variate dimensions. To fill this gap, we propose Compatible Transformer (CoFormer), a transformer-based encoder to achieve comprehensive temporal-interaction feature learning for each individual sample in irregular multivariate time series. In CoFormer, we view each sample as a unique variate-time point and leverage intra-variate/inter-variate attentions to learn sample-wise temporal/interaction features based on intra-variate/inter-variate neighbors. With CoFormer as the core, we can analyze irregularly sampled multivariate time series for many downstream tasks, including classification and prediction. We conduct extensive experiments on 3 real-world datasets and validate that the proposed CoFormer significantly and consistently outperforms existing methods. Code will be avilable at https://github.com/MediaBrain-SJTU/CoFormer.

Graph Neural Networks (GNNs) have exhibited impressive performance in many graph learning tasks. Nevertheless, the performance of GNNs can deteriorate when the input graph data suffer from weak information, i.e., incomplete structure, incomplete features, and insufficient labels. Most prior studies, which attempt to learn from the graph data with a specific type of weak information, are far from effective in dealing with the scenario where diverse data deficiencies exist and mutually affect each other. To fill the gap, in this paper, we aim to develop an effective and principled approach to the problem of graph learning with weak information (GLWI). Based on the findings from our empirical analysis, we derive two design focal points for solving the problem of GLWI, i.e., enabling long-range propagation in GNNs and allowing information propagation to those stray nodes isolated from the largest connected component. Accordingly, we propose D2PT, a dual-channel GNN framework that performs long-range information propagation not only on the input graph with incomplete structure, but also on a global graph that encodes global semantic similarities. We further develop a prototype contrastive alignment algorithm that aligns the class-level prototypes learned from two channels, such that the two different information propagation processes can mutually benefit from each other and the finally learned model can well handle the GLWI problem. Extensive experiments on eight real-world benchmark datasets demonstrate the effectiveness and efficiency of our proposed methods in various GLWI scenarios.

Knowledge graphs (KGs), as a structured form of knowledge representation, have been widely applied in the real world. Recently, few-shot knowledge graph completion (FKGC), which aims to predict missing facts for unseen relations with few-shot associated facts, has attracted increasing attention from practitioners and researchers. However, existing FKGC methods are based on metric learning or meta-learning, which often suffer from the out-of-distribution and overfitting problems. Meanwhile, they are incompetent at estimating uncertainties in predictions, which is critically important as model predictions could be very unreliable in few-shot settings. Furthermore, most of them cannot handle complex relations and ignore path information in KGs, which largely limits their performance. In this paper, we propose a normalizing flow-based neural process for few-shot knowledge graph completion (NP-FKGC). Specifically, we unify normalizing flows and neural processes to model a complex distribution of KG completion functions. This offers a novel way to predict facts for few-shot relations while estimating the uncertainty. Then, we propose a stochastic ManifoldE decoder to incorporate the neural process and handle complex relations in few-shot settings. To further improve performance, we introduce an attentive relation path-based graph neural network to capture path information in KGs. Extensive experiments on three public datasets demonstrate that our method significantly outperforms the existing FKGC methods and achieves state-of-the-art performance. Code is available at https://github.com/RManLuo/NP-FKGC.git.

Graphs, which encode pairwise relations between entities, are a kind of universal data structure for a lot of real-world data, including social networks, transportation networks, and chemical molecules. Many important applications on these data can be treated as computational tasks on graphs. Recently, machine learning techniques are widely developed and utilized to effectively tame graphs for discovering actionable patterns and harnessing them for advancing various graph-related computational tasks. Huge success has been achieved and numerous real-world applications have benefited from it. However, since in today's world, we are generating and gathering data in a much faster and more diverse way, real-world graphs are becoming increasingly large-scale and complex. More dedicated efforts are needed to propose more advanced machine learning techniques and properly deploy them for real-world applications in a scalable way. Thus, we organize The 3rd International Workshop on Machine Learning on Graphs (MLoG), held in conjunction with the 16th ACM Conference on Web Search and Data Mining (WSDM), which provides a venue to gather academia researchers and industry researchers/practitioners to present the recent progress on machine learning on graphs.

Most existing deep learning models are trained based on the closed-world assumption, where the test data is assumed to be drawn i.i.d. from the same distribution as the training data, known as in-distribution (ID). However, when models are deployed in an open-world scenario, test samples can be out-of-distribution (OOD) and therefore should be handled with caution. To detect such OOD samples drawn from unknown distribution, OOD detection has received increasing attention lately. However, current endeavors mostly focus on grid-structured data and its application for graph-structured data remains under-explored. Considering the fact that data labeling on graphs is commonly time-expensive and labor-intensive, in this work we study the problem of unsupervised graph OOD detection, aiming at detecting OOD graphs solely based on unlabeled ID data. To achieve this goal, we develop a new graph contrastive learning framework GOOD-D for detecting OOD graphs without using any ground-truth labels. By performing hierarchical contrastive learning on the augmented graphs generated by our perturbation-free graph data augmentation method, GOOD-D is able to capture the latent ID patterns and accurately detect OOD graphs based on the semantic inconsistency in different granularities (i.e., node-level, graph-level, and group-level). As a pioneering work in unsupervised graph-level OOD detection, we build a comprehensive benchmark to compare our proposed approach with different state-of-the-art methods. The experiment results demonstrate the superiority of our approach over different methods on various datasets.

Link prediction on dynamic graphs is an important task in graph mining. Existing approaches based on dynamic graph neural networks (DGNNs) typically require a significant amount of historical data (interactions over time), which is not always available in practice. The missing links over time, which is a common phenomenon in graph data, further aggravates the issue and thus creates extremely sparse and dynamic graphs. To address this problem, we propose a novel method based on the neural process, called Graph Sequential Neural ODE Process (GSNOP). Specifically, GSNOP combines the advantage of the neural process and neural ordinary differential equation that models the link prediction on dynamic graphs as a dynamic-changing stochastic process. By defining a distribution over functions, GSNOP introduces the uncertainty into the predictions, making it generalize to more situations instead of overfitting to the sparse data. GSNOP is also agnostic to model structures that can be integrated with any DGNN to consider the chronological and geometrical information for link prediction. Extensive experiments on three dynamic graph datasets show that GSNOP can significantly improve the performance of existing DGNNs and outperform other neural process variants.

Recommender systems are essential to various fields, e.g., e-commerce, e-learning, and streaming media. At present, graph neural networks (GNNs) for session-based recommendations normally can only recommend items existing in users’ historical sessions. As a result, these GNNs have difficulty recommending items that users have never interacted with (new items), which leads to a phenomenon of information cocoon. Therefore, it is necessary to recommend new items to users. As there is no interaction between new items and users, we cannot include new items when building session graphs for GNN session-based recommender systems. Thus, it is challenging to recommend new items for users when using GNN-based methods. We regard this challenge as “GNN Session-based New Item Recommendation (GSNIR)”. To solve this problem, we propose a dual-intent enhanced graph neural network for it. Due to the fact that new items are not tied to historical sessions, the users’ intent is difficult to predict. We design a dual-intent network to learn user intent from an attention mechanism and the distribution of historical data respectively, which can simulate users’ decision-making process in interacting with a new item. To solve the challenge that new items cannot be learned by GNNs, inspired by zero-shot learning (ZSL), we infer the new item representation in GNN space by using their attributes. By outputting new item probabilities, which contain recommendation scores of the corresponding items, the new items with higher scores are recommended to users. Experiments on two representative real-world datasets show the superiority of our proposed method. The case study from the real-world verifies interpretability benefits brought by the dual-intent module and the new item reasoning module.

Graph neural networks (GNNs) are powerful models to handle graph data and can achieve state-of-the-art in many critical tasks including node classification and link prediction. However, existing graph neural networks still face both challenges of over-smoothing and over-squashing based on previous literature. To this end, we propose a new Curvature-based topology-aware Dropout sampling technique named CurvDrop, in which we integrate the Discrete Ricci Curvature into graph neural networks to enable more expressive graph models. Also, this work can improve graph neural networks by quantifying connections in graphs and using structural information such as community structures in graphs. As a result, our method can tackle the both challenges of over-smoothing and over-squashing with theoretical justification. Also, numerous experiments on public datasets show the effectiveness and robustness of our proposed method. The code and data are released in https://github.com/liu-yang-maker/Curvature-based-Dropout.

Graph neural architecture search (NAS) has gained popularity in automatically designing powerful graph neural networks (GNNs) with relieving human efforts. However, existing graph NAS methods mainly work under the homophily assumption and overlook another important graph property, i.e., heterophily, which exists widely in various real-world applications. To date, automated heterophilic graph learning with NAS is still a research blank to be filled in. Due to the complexity and variety of heterophilic graphs, the critical challenge of heterophilic graph NAS mainly lies in developing the heterophily-specific search space and strategy. Therefore, in this paper, we propose a novel automated graph neural network on heterophilic graphs, namely Auto-HeG, to automatically build heterophilic GNN models with expressive learning abilities. Specifically, Auto-HeG incorporates heterophily into all stages of automatic heterophilic graph learning, including search space design, supernet training, and architecture selection. Through the diverse message-passing scheme with joint micro-level and macro-level designs, we first build a comprehensive heterophilic GNN search space, enabling Auto-HeG to integrate complex and various heterophily of graphs. With a progressive supernet training strategy, we dynamically shrink the initial search space according to layer-wise variation of heterophily, resulting in a compact and efficient supernet. Taking a heterophily-aware distance criterion as the guidance, we conduct heterophilic architecture selection in the leave-one-out pattern, so that specialized and expressive heterophilic GNN architectures can be derived. Extensive experiments illustrate the superiority of Auto-HeG in developing excellent heterophilic GNNs to human-designed models and graph NAS models.

The performance of graph representation learning is affected by the quality of graph input. While existing research usually pursues a globally smoothed graph embedding, we believe the rarely observed anomalies are as well harmful to an accurate prediction. This work establishes a graph learning scheme that automatically detects (locally) corrupted feature attributes and recovers robust embedding for prediction tasks. The detection operation leverages a graph autoencoder, which does not make any assumptions about the distribution of the local corruptions. It pinpoints the positions of the anomalous node attributes in an unbiased mask matrix, where robust estimations are recovered with sparsity promoting regularizer. The optimizer approaches a new embedding that is sparse in the framelet domain and conditionally close to input observations. Extensive experiments are provided to validate our proposed model can recover a robust graph representation from black-box poisoning and achieve excellent performance.

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.

Multivariate time series forecasting has long received significant attention in real-world applications, such as energy consumption and traffic prediction. While recent methods demonstrate good forecasting abilities, they have three fundamental limitations. (i).Discrete neural architectures:Interlacing individually parameterized spatial and temporal blocks to encode rich underlying patterns leads to discontinuous latent state trajectories and higher forecasting numerical errors. (ii).High complexity:Discrete approaches complicate models with dedicated designs and redundant parameters, leading to higher computational and memory overheads. (iii).Reliance on graph priors:Relying on predefined static graph structures limits their effectiveness and practicability in real-world applications. In this paper, we address all the above limitations by proposing a continuous model to forecastMultivariateTime series with dynamicGraph neuralOrdinaryDifferentialEquations (MTGODE). Specifically, we first abstract multivariate time series into dynamic graphs with time-evolving node features and unknown graph structures. Then, we design and solve a neural ODE to complement missing graph topologies and unify both spatial and temporal message passing, allowing deeper graph propagation and fine-grained temporal information aggregation to characterize stable and precise latent spatial-temporal dynamics. Our experiments demonstrate the superiorities ofMTGODEfrom various perspectives on five time series benchmark datasets.

Deep learning on graphs has attracted significant interests recently. However, most of the works have focused on (semi-) supervised learning, resulting in shortcomings including heavy label reliance, poor generalization, and weak robustness. To address these issues, self-supervised learning (SSL), which extracts informative knowledge through well-designed pretext tasks without relying on manual labels, has become a promising and trending learning paradigm for graph data. Different from SSL on other domains like computer vision and natural language processing, SSL on graphs has an exclusive background, design ideas, and taxonomies. Under the umbrella of graph self-supervised learning, we present a timely and comprehensive review of the existing approaches which employ SSL techniques for graph data. We construct a unified framework that mathematically formalizes the paradigm of graph SSL. According to the objectives of pretext tasks, we divide these approaches into four categories: generation-based, auxiliary property-based, contrast-based, and hybrid approaches. We further describe the applications of graph SSL across various research fields and summarize the commonly used datasets, evaluation benchmark, performance comparison and open-source codes of graph SSL. Finally, we discuss the remaining challenges and potential future directions in this research field.

Detecting anomalies for dynamic graphs has drawn increasing attention due to their wide applications in social networks, e-commerce, and cybersecurity. Recent deep learning-based approaches have shown promising results over shallow methods. However, they fail to address two core challenges of anomaly detection in dynamic graphs: the lack of informative encoding for unattributed nodes and the difficulty of learning discriminate knowledge from coupled spatial-temporal dynamic graphs. To overcome these challenges, in this paper, we present a novelTransformer-basedAnomalyDetection framework forDYnamic graphs (TADDY). Our framework constructs a comprehensive node encoding strategy to better represent each node’s structural and temporal roles in an evolving graphs stream. Meanwhile, TADDY captures informative representation from dynamic graphs with coupled spatial-temporal patterns via a dynamic graph transformer model. The extensive experimental results demonstrate that our proposed TADDY framework outperforms the state-of-the-art methods by a large margin on six real-world datasets.

Graph convolutional networks are becoming indispensable for deep learning from graph-structured data. Most of the existing graph convolutional networks share two big shortcomings. First, they are essentially low-pass filters, thus the potentially useful middle and high frequency band of graph signals are ignored. Second, the bandwidth of existing graph convolutional filters is fixed. Parameters of a graph convolutional filter only transform the graph inputs without changing the curvature of a graph convolutional filter function. In reality, we are uncertain about whether we should retain or cut off the frequency at a certain point unless we have expert domain knowledge. In this paper, we propose Automatic Graph Convolutional Networks (AutoGCN) to capture the full spectrum of graph signals and automatically update the bandwidth of graph convolutional filters. While it is based on graph spectral theory, our AutoGCN is also localized in space and has a spatial form. Experimental results show that AutoGCN achieves significant improvement over baseline methods which only work as low-pass filters.

Graph neural networks (GNNs) offer promising learning methods for graph-related tasks. However, GNNs are at risk of adversarial attacks. Two primary limitations of the current evasion attack methods are highlighted: (1) The currentGradArgmaxignores the “long-term” benefit of the perturbation. It is faced with zero-gradient and invalid benefit estimates in certain situations. (2) In the reinforcement learning-based attack methods, the learned attack strategies might not be transferable when the attack budget changes. To this end, we first formulate the perturbation space and propose an evaluation framework and the projective ranking method. We aim to learn a powerful attack strategy then adapt it as little as possible to generate adversarial samples under dynamic budget settings. In our method, based on mutual information, we rank and assess the attack benefits of each perturbation for an effective attack strategy. By projecting the strategy, our method dramatically minimizes the cost of learning a new attack strategy when the attack budget changes. In the comparative assessment withGradArgmaxandRL-S2V, the results show our method owns high attack performance and effective transferability. The visualization of our method also reveals various attack patterns in the generation of adversarial samples.

Recommender systems which captures dynamic user interest based on time-ordered user-item interactions plays a critical role in the real-world. Although existing deep learning-based recommendation systems show good performances, these methods have two main drawbacks. Firstly, user interest is the consequence of the coaction of many factors. However, existing methods do not fully explore potential influence factors and ignore the user-item interaction formation process. The coarse-grained modeling patterns cannot accurately reflect complex user interest and leads to suboptimal recommendation results. Furthermore, these methods are implicit and largely operate in a black-box fashion. It is difficult to interpret their modeling processes and recommendation results. Secondly, recommendation datasets usually exhibit scale-free distributions and some existing recommender systems take advantage of hyperbolic space to match the data distribution. But they ignore that the operations in hyperbolic space are more complex than that in Euclidean space which further increases the difficulty of model interpretation. To tackle the above shortcomings, we propose an E xplainable H yperbolic T emporal P oint P rocess for User-Item Interaction Sequence Generation (EHTPP) . Specifically, EHTPP regards each user-item interaction as an event in hyperbolic space and employs a temporal point process framework to model the probability of event occurrence. Considering that the complexity of user interest and the interpretability of the model,EHTPP explores four potential influence factors related to user interest and uses them to explicitly guide the probability calculation in the temporal point process. In order to validate the effectiveness of EHTPP, we carry out a comprehensive evaluation of EHTPP on three datasets compared with a few competitive baselines. Experimental results demonstrate the state-of-the-art performances of EHTPP.

Traffic time series forecasting is challenging due to complex spatio-temporal dynamics-time series from different locations often have distinct patterns; and for the same time series, patterns may vary across time, where, for example, there exist certain periods across a day showing stronger temporal correlations. Although recent forecasting models, in particular deep learning based models, show promising results, they suf-fer from being spatio-temporal agnostic. Such spatio-temporal agnostic models employ a shared parameter space irrespective of the time series locations and the time periods and they assume that the temporal patterns are similar across locations and do not evolve across time, which may not always hold, thus leading to sub-optimal results. In this work, we propose a framework that aims at turning spatio-temporal agnostic models to spatio-temporal aware models. To do so, we encode time series from different locations into stochastic variables, from which we generate location-specific and time-varying model parameters to better capture the spatio-temporal dynamics. We show how to integrate the framework with canonical attentions to enable spatio-temporal aware attentions. Next, to compensate for the additional overhead introduced by the spatio-temporal aware model parameter generation process, we propose a novel window attention scheme, which helps reduce the complexity from quadratic to linear, making spatio-temporal aware attentions also have competitive efficiency. We show strong empirical evidence on four traffic time series datasets, where the proposed spatio-temporal aware attentions outperform state-of-the-art methods in term of accuracy and efficiency.

Structured sequences are a popular data representation, used to model complex data such as traffic networks. A key machine learning task for structured sequences is node classification, that is predicting the class labels of unlabeled nodes. Though many node classification models were proposed, they assume a closed world setting, that all class labels appear in the training data. But in the real-world, the presence of never-before-seen class labels in testing data can considerably degrade a classifier’s accuracy. A promising solution to this issue is to build classifiers for an open-world setting, where samples with unknown class labels are continuously observed such that training and testing data may have different class label spaces. Several approaches have been proposed for open-world learning problems in computer vision and natural language processing, but they cannot be applied directly to structured sequences due to the complexity of their non-Euclidean properties and their dynamic nature. This paper addresses this important research gap by proposing a novel Open-world Structured Sequence node Classification (OSSC) model, to learn from structured sequences in an open-world setting. OSSC captures the structural and temporal information via a GCN-based dynamic variational framework. A latent distribution sequence is learned for each node using both stochastic states and deterministic states, to capture the evolution of node attributes and topology, followed by a sampling process to generate node representations. An open-world classification loss is further adopted to ensure that node representations are sensitive to unknown classes. And a combination of Openmax and Softmax is utilized to recognize nodes from unknown classes and to classify others to one of the known classes. Experiments on real-world datasets show that the proposed OSSC method is capable of learning accurate open-world node classifiers from structured sequence data.

Graph neural architecture search (NAS) has gained great popularity in automatically designing powerful graph neural networks (GNNs) with superior learning abilities, significantly relieving human effort and expertise reliance. Despite the advanced performance of automated learning, existing graph NAS models mainly work on single-relational graphs, while the widespread multi-relational graphs in real-world applications, are not well addressed. Moreover, current search spaces of automated GNNs are generally coarse-grained by simply integrating typical GNN layers and hyper-parameters, resulting in severe limitations on search capacities and scopes for creating innovative GNN architectures. To tackle the limitations of single-relational setting and coarse-grained search space design in existing graph NAS, in this paper, we propose a novel framework of multi-relational graph neural architecture search, dubbed MR-GNAS, to automatically develop innovative and excellent multi-relational GNN architectures. Specifically, to enlarge search capacities and improve search flexibility, MR-GNAS contains a fine-grained search space that embraces the full-pipe multi-relational message passing schema, enabling expressive architecture search scopes. With the well-designed fine-grained search space, MR-GNAS constructs a relation-aware supernet with a tree topology, to jointly learn discriminative node and relation representations. By searching with a gradient-based strategy in the supernet, the proposed MR-GNAS could derive excellent multi-relational GNN architectures in multi-relational graph analysis. Extensive experiments on entity classification and link prediction tasks over multi-relational graphs illustrate the effectiveness and superiority of the proposed method.

Graph contrastive learning (GCL) has recently emerged as an effective learning paradigm to alleviate the reliance on labelling information for graph representation learning. The core of GCL is to maximise the mutual information between the representation of a node and its contextual representation (i.e., the corresponding instance with similar semantic information) summarised from the contextual scope (e.g., the whole graph or 1-hop neighbourhood). This scheme distils valuable self-supervision signals for GCL training. However, existing GCL methods still suffer from limitations, such as the incapacity or inconvenience in choosing a suitable contextual scope for different datasets and building biased contrastiveness. To address aforementioned problems, we present a simple self-supervised learning method termed Unifying Graph Contrastive Learning with Flexible Contextual Scopes (UGCL for short). Our algorithm builds flexible contextual representations with tunable contextual scopes by controlling the power of an adjacency matrix. Additionally, our method ensures contrastiveness is built within connected components to reduce the bias of contextual representations. Based on representations from both local and contextual scopes, UGCL optimises a very simple contrastive loss function for graph representation learning. Essentially, the architecture of UGCL can be considered as a general framework to unify existing GCL methods. We have conducted intensive experiments and achieved new state-of-the-art performance in six out of eight benchmark datasets compared with self-supervised graph representation learning baselines. Our code has been open sourced1.1https://github.com/zyzisastudyreallyhardguy/UGCL

Recent knowledge graph (KG) embeddings have been advanced by hyperbolic geometry due to its superior capability for representing hierarchies. The topological structures of real-world KGs, however, are rather heterogeneous, i.e., a KG is composed of multiple distinct hierarchies and non-hierarchical graph structures. Therefore, a homogeneous (either Euclidean or hyperbolic) geometry is not sufficient for fairly representing such heterogeneous structures. To capture the topological heterogeneity of KGs, we present an ultrahyperbolic KG embedding (UltraE) in an ultrahyperbolic (or pseudo-Riemannian) manifold that seamlessly interleaves hyperbolic and spherical manifolds. In particular, we model each relation as a pseudo-orthogonal transformation that preserves the pseudo-Riemannian bilinear form. The pseudo-orthogonal transformation is decomposed into various operators (i.e., circular rotations, reflections and hyperbolic rotations), allowing for simultaneously modeling heterogeneous structures as well as complex relational patterns. Experimental results on three standard KGs show that UltraE outperforms previous Euclidean, hyperbolic, and mixed-curvature KG embedding approaches.

Graph clustering is a prevalent issue associated with social networks, data mining, and machine learning; its objective is to detect communities or groups in networks. Inspired by the recent success of deep learning (DL), new DL-based graph clustering methods have achieved promising results. However, a deep neural network involves a large number of training parameters. Moreover, existing methods typically select the similarity metric by an ad hoc approach, which considerably affects the resulting output. In this study, we propose a principled graph learning perspective, fine-grained attributed graph clustering. Based on a shallow approach, the proposed method sufficiently exploits both node features and structure information by benefiting from graph convolution. Consequently, a fine-grained graph encoded higher-order relations is automatically learned. Comprehensive experiments on benchmark datasets demonstrate the superiority of the proposed method over state-of-the-art algorithms, including several DL methods.

Transfer learning uses auxiliary domains to help complete learning tasks of the target domain. However, the combination of recommendation and transfer learning often has two problems. One is that it's difficult to find an auxiliary domain which is highly related to the target domain. The other is that useful information in auxiliary domains cannot be fully utilized. To make use of the knowledge in auxiliary domains as much as possible, this paper proposes a cyclic transfer learning method which can transfer the shared knowledge in the auxiliary domain and target domain multiple times. Combining this method with recommendation, this paper presents a recommendation framework based on heterogeneous feedbacks and cyclic transfer learning (HCTL-Rec). By studying the relationship between different behaviors of users, this paper proposes two specific recommendation algorithms which combine the novel framework with two auxiliary domains. One is to use users' binary attitude information as an auxiliary domain to better represent users' ratings. The other is to use users' trust relationship as an auxiliary domain and make social recommendation. Experiments are carried out on two real-world datasets with trust relationship. The results show that recommendation quality of the two specific algorithms can achieve significant improvement compared with other state-of-the-art algorithms and can effectively relieve the cold-start problem.

Human mobility prediction is of great importance for various applications such as smart transportation and personalized recommender systems. Although many traditional pattern-based methods and deep models ($e.g.,$ recurrent neural networks) based methods have been developed for this task, they essentially do not well cope with the sparsity and inaccuracy of trajectory data and the complicated high-order nature of the sequential dependency, which are typical challenges in mobility prediction. To solve the problems, this paper proposes a novel framework named G raph C onvolutional D ual-a ttentive N etworks (GCDAN), which consists of two modules: spatio-temporal embedding and trajectory encoder-decoder. The first module employs a bidirectional diffusion graph convolution to preserve the spatial dependency in the location embedding. The second module employs a dual-attentive mechanism based on a Sequence to Sequence architecture to effectively extract the long-range sequential dependency within a trajectory and the correlation between different trajectories for predictions. Extensive experiments on three real-world datasets show that GCDAN achieves significant performance gain compared with state-of-the-art baselines.

In recent years, graph neural networks (GNNs) have emerged as a successful tool in a variety of graph-related applications. However, the performance of GNNs can be deteriorated when noisy connections occur in the original graph structures; besides, the dependence on explicit structures prevents GNNs from being applied to general unstructured scenarios. To address these issues, recently emerged deep graph structure learning (GSL) methods propose to jointly optimize the graph structure along with GNN under the supervision of a node classification task. Nonetheless, these methods focus on a supervised learning scenario, which leads to several problems, i.e., the reliance on labels, the bias of edge distribution, and the limitation on application tasks. In this paper, we propose a more practical GSL paradigm, unsupervised graph structure learning, where the learned graph topology is optimized by data itself without any external guidance (i.e., labels). To solve the unsupervised GSL problem, we propose a novel StrUcture Bootstrapping contrastive LearnIng fraMEwork (SUBLIME for abbreviation) with the aid of self-supervised contrastive learning. Specifically, we generate a learning target from the original data as an “anchor graph”, and use a contrastive loss to maximize the agreement between the anchor graph and the learned graph. To provide persistent guidance, we design a novel bootstrapping mechanism that upgrades the anchor graph with learned structures during model learning. We also design a series of graph learners and post-processing schemes to model the structures to learn. Extensive experiments on eight benchmark datasets demonstrate the significant effectiveness of our proposed SUBLIME and high quality of the optimized graphs.

Unsupervised graph representation learning has emerged as a powerful tool to address real-world problems and achieves huge success in the graph learning domain. Graph contrastive learning is one of the unsupervised graph representation learning methods, which recently attracts attention from researchers and has achieved state-of-the-art performances on various tasks. The key to the success of graph contrastive learning is to construct proper contrasting pairs to acquire the underlying structural semantics of the graph. However, this key part is not fully explored currently, most of the ways generating contrasting pairs focus on augmenting or perturbating graph structures to obtain different views of the input graph. But such strategies could degrade the performances via adding noise into the graph, which may narrow down the field of the applications of graph contrastive learning. In this paper, we propose a novel graph contrastive learning method, namely Dual Space Graph Contrastive (DSGC) Learning, to conduct graph contrastive learning among views generated in different spaces including the hyperbolic space and the Euclidean space. Since both spaces have their own advantages to represent graph data in the embedding spaces, we hope to utilize graph contrastive learning to bridge the spaces and leverage advantages from both sides. The comparison experiment results show that DSGC achieves competitive or better performances among all the datasets. In addition, we conduct extensive experiments to analyze the impact of different graph encoders on DSGC, giving insights about how to better leverage the advantages of contrastive learning between different spaces.

Anomaly detection on graphs plays a significant role in various domains, including cybersecurity, e-commerce, and financial fraud detection. However, existing methods on graph anomaly detection usually consider the view in a single scale of graphs, which results in their limited capability to capture the anomalous patterns from different perspectives. Towards this end, we introduce a novel graph anomaly detection framework, namely ANEMONE, to simultaneously identify the anomalies in multiple graph scales. Concretely, ANEMONE first leverages a graph neural network backbone encoder with multi-scale contrastive learning objectives to capture the pattern distribution of graph data by learning the agreements between instances at the patch and context levels concurrently. Then, our method employs a statistical anomaly estimator to evaluate the abnormality of each node according to the degree of agreement from multiple perspectives. Experiments on three benchmark datasets demonstrate the superiority of our method.

Graph Neural Networks (GNNs) have emerged as a series of effective learning methods for graph-related tasks. However, GNNs are shown vulnerable to adversarial attacks, where attackers can fool GNNs into making wrong predictions on adversarial samples with well-designed perturbations. Specifically, we observe that the current evasion attacks suffer from two limitations: (1) the attack strategy based on the reinforcement learning method might not be transferable when the attack budget changes; (2) the greedy mechanism in the vanilla gradient-based method ignores the long-term benefits of each perturbation operation. In this paper, we propose a new attack method named projective ranking to overcome the above limitations. Our idea is to learn a powerful attack strategy considering the long-term benefits of perturbations, then adjust it as little as possible to generate adversarial samples under different budgets. We further employ mutual information to measure the long-term benefits of each perturbation and rank them accordingly, so the learned attack strategy has better attack performance. Our method dramatically reduces the adaptation cost of learning a new attack strategy by projecting the attack strategy when the attack budget changes. Our preliminary evaluation results in synthesized and real-world datasets demonstrate that our method owns powerful attack performance and effective transferability.

Group activities have become an essential part of people’s daily life, which stimulates the requirement for intensive research on the group recommendation task, i.e., recommending items to a group of users. Most existing works focus on aggregating users’ interests within the group to learn group preference. These methods are faced with two problems. First, these methods only model the user preference inside a single group while ignoring the collaborative relations among users and items across different groups. Second, they assume that group preference is an aggregation of user interests, and factually a group may pursue some targets not derived from users’ interests. Thus they are insufficient to model the general group preferences which are independent of existing user interests. To address the above issues, we propose a novel dual channel Hypergraph Convolutional network for group Recommendation (HCR), which consists of member-level preference network and group-level preference network. In the member-level preference network, in order to capture cross-group collaborative connections among users and items, we devise a member-level hypergraph convolutional network to learn group members’ personal preferences. In the group-level preference network, the group’s general preference is captured by a group-level graph convolutional network based on group similarity. We evaluate our model on two real-world datasets and the experimental results show that the proposed model significantly and consistently outperforms state-of-the-art group recommendation techniques.

In light of the wide application of Graph Neural Networks (GNNs), Membership Inference Attack (MIA) against GNNs raises severe privacy concerns, where training data can be leaked from trained GNN models. However, prior studies focus on inferring the membership of only the components in a graph, e.g., an individual node or edge. In this paper, we take the first step in MIA against GNNs for graph-level classification. Our objective is to infer whether a graph sample has been used for training a GNN model. We present and implement two types of attacks, i.e., training-based attacks and threshold-based attacks from different adversarial capabilities. We perform comprehensive experiments to evaluate our attacks in seven real-world datasets using five representative GNN models. Both our attacks are shown effective and can achieve high performance, i.e., reaching over 0.7 attack F1 scores in most cases1. Our findings also confirm that, unlike the node-level classifier, MIAs on graph-level classification tasks are more co-related with the overfitting level of GNNs rather than the statistic property of their training graphs.

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.

Graph neural networks (GNNs) are important tools for transductive learning tasks, such as node classification in graphs, due to their expressive power in capturing complex interdependency between nodes. To enable GNN learning, existing works typically assume that labeled nodes, from two or multiple classes, are provided, so that a discriminative classifier can be learned from the labeled data. In reality, this assumption might be too restrictive for applications, as users may only provide labels of interest in a single class for a small number of nodes. In addition, most GNN models only aggregate information from short distances ( e.g. , 1-hop neighbors) in each round, and fail to capture long-distance relationship in graphs. In this article, we propose a novel GNN framework, long-short distance aggregation networks, to overcome these limitations. By generating multiple graphs at different distance levels, based on the adjacency matrix, we develop a long-short distance attention model to model these graphs. The direct neighbors are captured via a short-distance attention mechanism, and neighbors with long distance are captured by a long-distance attention mechanism. Two novel risk estimators are further employed to aggregate long-short-distance networks, for PU learning and the loss is back-propagated for model learning. Experimental results on real-world datasets demonstrate the effectiveness of our algorithm.

Graph embedding has shown its effectiveness to represent graph information and capture deep relationships in graph data. Most recent graph embedding methods focus on attributed graphs, since they preserve both structure and content information in the network. However, corruption can exist in the graph structure as well as the node content of the graph, and both can lead to inferior embedding results. Unfortunately, few existing graph embedding algorithms have considered the corruption problem, and to the best of our knowledge, none has studied structural corruption in attributed graphs, including missing and redundant edges. This field is difficult for previous methods, mainly due to two challenges: (1) the existence of various corruption causes has made it difficult to recognize corruptions in graphs, and (2) the complexity of graph-structured data has increased the difficulty of handling corruption therein for graph embedding methods. These facts lead us here to propose a novel autoencoder-based graph embedding approach, which is robust against structural corruption. Our idea comes from the recent discovery of memorization effects in deep learning. Namely, deep neural networks prefer to fit clean data first, before they over-fit corrupted data. Specifically, we train two autoencoders simultaneously and let them learn the reliability of the edges in the graph from each other. The two autoencoders would evaluate the edges according to their reconstructed structure and manipulate this by devaluing those distrusted edges to update the structure information. The updated structure would be used further in the next iteration as the ground-truth of its peer-network. Experiments on different versions of real-world graphs show state-of-the-art results and demonstrate the robustness of our model against structural corruption.

In traditional graph learning tasks, such as node classification, learning is carried out in a closed-world setting where the number of classes and their training samples are provided to help train models, and the learning goal is to correctly classify unlabeled nodes into classes already known. In reality, due to limited labeling capability and dynamic evolving of networks, some nodes in the networks may not belong to any existing/seen classes, and therefore cannot be correctly classified by closed-world learning algorithms. In this paper, we propose a new open-world graph learning paradigm, where the learning goal is to not only classify nodes belonging to seen classes into correct groups, but also classify nodes not belonging to existing classes to an unseen class. The essential challenge of the open-world graph learning is that (1) unseen class has no labeled samples, and may exist in an arbitrary form different from existing seen classes; and (2) both graph feature learning and prediction should differentiate whether a node may belong to an existing/seen class or an unseen class. To tackle the challenges, we propose an uncertain node representation learning approach, using constrained variational graph autoencoder networks, where the label loss and class uncertainty loss constraints are used to ensure that the node representation learning are sensitive to unseen class. As a result, node embedding features are denoted by distributions, instead of deterministic feature vectors. By using a sampling process to generate multiple versions of feature vectors, we are able to test the certainty of a node belonging to seen classes, and automatically determine a threshold to reject nodes not belonging to seen classes as unseen class nodes. Experiments on real-world networks demonstrate the algorithm performance, comparing to baselines. Case studies and ablation analysis also show the rationale of our design for open-world graph learning.

The flourishing of social media platforms requires techniques for understanding the content of media on a large scale. However, state-of-the art video event understanding approaches remain very limited in terms of their ability to deal with data sparsity, semantically unrepresentative event names, and lack of coherence between visual and textual concepts. Accordingly, in this paper, we propose a method of grounding visual concepts for large-scale Multimedia Event Detection (MED) and Multimedia Event Captioning (MEC) in zero-shot setting. More specifically, our framework composes the following: (1) deriving the novel semantic representations of events from their textual descriptions, rather than event names; (2) aggregating the ranks of grounded concepts for MED tasks. A statistical mean-shift outlier rejection model is proposed to remove the outlying concepts which are incorrectly grounded; and (3) defining MEC tasks and augmenting the MEC training set by the videos detected in MED in a zero-shot setting. To the best of our knowledge, this work is the first time to define and solve the MEC task, which is a further step towards understanding video events. We conduct extensive experiments and achieve state-of-the-art performance on the TRECVID MEDTest dataset, as well as our newly proposed TRECVID-MEC dataset.

Modeling multivariate time series has long been a subject that has attracted researchers from a diverse range of fields including economics, finance, and traffic. A basic assumption behind multivariate time series forecasting is that its variables depend on one another but, upon looking closely, it is fair to say that existing methods fail to fully exploit latent spatial dependencies between pairs of variables. In recent years, meanwhile, graph neural networks (GNNs) have shown high capability in handling relational dependencies. GNNs require well-defined graph structures for information propagation which means they cannot be applied directly for multivariate time series where the dependencies are not known in advance. In this paper, we propose a general graph neural network framework designed specifically for multivariate time series data. Our approach automatically extracts the uni-directed relations among variables through a graph learning module, into which external knowledge like variable attributes can be easily integrated. A novel mix-hop propagation layer and a dilated inception layer are further proposed to capture the spatial and temporal dependencies within the time series. The graph learning, graph convolution, and temporal convolution modules are jointly learned in an end-to-end framework. Experimental results show that our proposed model outperforms the state-of-the-art baseline methods on 3 of 4 benchmark datasets and achieves on-par performance with other approaches on two traffic datasets which provide extra structural information.

Graph convolutional networks (GCNs) have achieved impressive success in many graph related analytics tasks. However, most GCNs only work in a single domain (graph) incapable of transferring knowledge from/to other domains (graphs), due to the challenges in both graph representation learning and domain adaptation over graph structures. In this paper, we present a novel approach, unsupervised domain adaptive graph convolutional networks (UDA-GCN), for domain adaptation learning for graphs. To enable effective graph representation learning, we first develop a dual graph convolutional network component, which jointly exploits local and global consistency for feature aggregation. An attention mechanism is further used to produce a unified representation for each node in different graphs. To facilitate knowledge transfer between graphs, we propose a domain adaptive learning module to optimize three different loss functions, namely source classifier loss, domain classifier loss, and target classifier loss as a whole, thus our model can differentiate class labels in the source domain, samples from different domains, the class labels from the target domain, respectively. Experimental results on real-world datasets in the node classification task validate the performance of our method, compared to state-of-the-art graph neural network algorithms.

Affective computing is an emerging research area which provides insights on human's mental state through human-machine interaction. During the interaction process, bio-signal analysis is essential to detect human affective changes. Currently, machine learning methods to analyse bio-signals are the state of the art to detect the affective states, but most empirical works mainly deploy traditional machine learning methods rather than deep learning models due to the need for explainability. In this paper, we propose a deep learning model to process multimodal-multisensory bio-signals for affect recognition. It supports batch training for different sampling rate signals at the same time, and our results show significant improvement compared to the state of the art. Furthermore, the results are interpreted at the sensor- and signal- level to improve the explainaibility of our deep learning model.

Graph neural nets are emerging tools to represent network nodes for classification. However, existing approaches typically suffer from two limitations: (1) they only aggregate information from short distance (e.g., 1-hop neighbors) each round and fail to capturelong distance relationship in graphs; (2) they require users to label data from several classes to facilitate the learning of discriminative models; whereas in reality, users may only provide labels of a small number of nodes in a single class. To overcome these limitations, this paper presents a novel long-short distance aggregation networks (\textttLSDAN ) for positive unlabeled (PU) graph learning. Our theme is to generate multiple graphs at different distances based on the adjacency matrix, and further develop a long-short distance attention model for these graphs. The short-distance attention mechanism is used to capture the importance of neighbor nodes to a target node. The long-distance attention mechanism is used to capture the propagation of information within a localized area of each node and help model weights of different graphs for node representation learning. A non-negative risk estimator is further employed, to aggregate long- short-distance networks, for PU learning using back-propagated loss modeling. Experiments on real-world datasets validate the effectiveness of our approach.

Text classification, in cross-domain setting, is a challenging task. On the one hand, data from other domains are often useful to improve the learning on the target domain; on the other hand, domain variance and hierarchical structure of documents from words, key phrases, sentences, paragraphs, etc. make it difficult to align domains for effective learning. To date, existing cross-domain text classification methods mainly strive to minimize feature distribution differences between domains, and they typically suffer from three major limitations - (1) difficult to capture semantics in non-consecutive phrases and long-distance word dependency because of treating texts as word sequences, (2) neglect of hierarchical coarse-grained structures of document for feature learning, and (3) narrow focus of the domains at instance levels, without using domains as supervisions to improve text classification. This paper proposes an end-to-end, domain-adversarial graph neural networks (DAGNN), for cross-domain text classification. Our motivation is to model documents as graphs and use a domain-adversarial training principle to lean features from each graph (as well as learning the separation of domains) for effective text classification. At the instance level, DAGNN uses a graph to model each document, so that it can capture non-consecutive and long-distance semantics. At the feature level, DAGNN uses graphs from different domains to jointly train hierarchical graph neural networks in order to learn good features. At the learning level, DAGNN proposes a domain-adversarial principle such that the learned features not only optimally classify documents but also separates domains. Experiments on benchmark datasets demonstrate the effectiveness of our method in cross-domain classification tasks.

Heterogeneous graphs with different types of nodes and edges are ubiquitous and have immense value in many applications. Existing works on modeling heterogeneous graphs usually follow the idea of splitting a heterogeneous graph into multiple homogeneous subgraphs. This is ineffective in exploiting hidden rich semantic associations between different types of edges for large-scale multi-relational graphs. In this paper, we propose Relation Structure-Aware Heterogeneous Graph Neural Network (RSHN), a unified model that integrates graph and its coarsened line graph to embed both nodes and edges in heterogeneous graphs without requiring any prior knowledge such as metapath. To tackle the heterogeneity of edge connections, RSHN first creates a Coarsened Line Graph Neural Network (CL-GNN) to excavate edge-centric relation structural features that respect the latent associations of different types of edges based on coarsened line graph. After that, a Heterogeneous Graph Neural Network (H-GNN) is used to leverage implicit messages from neighbor nodes and edges propagating among nodes in heterogeneous graphs. As a result, different types of nodes and edges can enhance their embedding through mutual integration and promotion. Experiments and comparisons, based on semi-supervised classification tasks on large scale heterogeneous networks with over a hundred types of edges, show that RSHN significantly outperforms state-of-the-arts.

Networked data are common in domains where instances are characterized by both feature values and inter-dependency relationships. Finding cluster structures for networked instances and discovering representative features for each cluster represent a special co-clustering task usefully for many real-world applications, such as automatic categorization of scientific publications and finding representative key-words for each cluster. To date, although co-clustering has been commonly used for finding clusters for both instances and features, all existing methods are focused on instance-feature values, without leveraging valuable topology relationships between instances to help boost co-clustering performance. In this paper, we propose CFOND, a consensus factorization based framework for co-clustering networked data. We argue that feature values and linkages provide useful information from different perspectives, but they are not always consistent and therefore need to be carefully aligned for best clustering results. In the paper, we advocate a consensus factorization principle, which simultaneously factorizes information from three aspects: network topology structures, instance-feature content relationships, and feature-feature correlations. The consensus factorization ensures that the final cluster structures are consistent across information from the three aspects with minimum errors. Experiments on real-life networks validate the performance of our algorithm.

Attributed network embedding enables joint representation learning of node links and attributes. Existing attributed network embedding models are designed in continuous Euclidean spaces which often introduce data redundancy and impose challenges to storage and computation costs. To this end, we present a Binarized Attributed Network Embedding model (BANE for short) to learn binary node representation. Specifically, we define a new Weisfeiler-Lehman proximity matrix to capture data dependence between node links and attributes by aggregating the information of node attributes and links from neighboring nodes to a given target node in a layer-wise manner. Based on the Weisfeiler-Lehman proximity matrix, we formulate a new Weisfiler-Lehman matrix factorization learning function under the binary node representation constraint. The learning problem is a mixed integer optimization and an efficient cyclic coordinate descent (CCD) algorithm is used as the solution. Node classification and link prediction experiments on real-world datasets show that the proposed BANE model outperforms the state-of-the-art network embedding methods.

Multi-instance learning (MIL) is a useful tool for tackling labeling ambiguity in learning because it allows a bag of instances to share one label. Bag mapping transforms a bag into a single instance in a new space via instance selection and has drawn significant attention recently. To date, most existing work is based on the original space, using all instances inside each bag for bag mapping, and the selected instances are not directly tied to an MIL objective. As a result, it is difficult to guarantee the distinguishing capacity of the selected instances in the new bag mapping space. In this paper, we propose a discriminative mapping approach for multi-instance learning (MILDM) that aims to identify the best instances to directly distinguish bags in the new mapping space. Accordingly, each instance bag can be mapped using the selected instances to a new feature space, and hence any generic learning algorithm, such as an instance-based learning algorithm, can be used to derive learning models for multi-instance classification. Experiments and comparisons on eight different types of real-world learning tasks (including 14 data sets) demonstrate that MILDM outperforms the state-of-the-art bag mapping multi-instance learning approaches. Results also confirm that MILDM achieves balanced performance between runtime efficiency and classification effectiveness.

Numerous network representation-based algorithms for network classification have emerged in recent years, but many suffer from two limitations. First, they separate the network representation learning and node classification in networks into two steps, which may result in sub-optimal results because the node representation may not fit the classification model well, and vice versa. Second, they are mostly shallow methods that can only capture the linear and simple relationships in the data. In this paper, we propose an effective deep learning model, Graph Ladder Networks (GLN), for node classification in networks. Our model learns a ladder network which unifies the representation learning and network classification into one single framework by exploiting both labeled and unlabeled nodes in a network. To integrate both structure and node content information in the networks, the most recently developed graph convolution network, is further employed. The experiments on the most popular academic network dataset, Citeseer, demonstrate that our approach reaches outstanding performance compared to other state-of-the-art algorithms.

Graph clustering aims to discovercommunity structures in networks, the task being fundamentally challenging mainly because the topology structure and the content of the graphs are difficult to represent for clustering analysis. Recently, graph clustering has moved from traditional shallow methods to deep learning approaches, thanks to the unique feature representation learning capability of deep learning. However, existing deep approaches for graph clustering can only exploit the structure information, while ignoring the content information associated with the nodes in a graph. In this paper, we propose a novel marginalized graph autoencoder (MGAE) algorithm for graph clustering. The key innovation of MGAE is that it advances the autoencoder to the graph domain, so graph representation learning can be carried out not only in a purely unsupervised setting by leveraging structure and content information, it can also be stacked in a deep fashion to learn effective representation. From a technical viewpoint, we propose a marginalized graph convolutional network to corrupt network node content, allowing node content to interact with network features, and marginalizes the corrupted features in a graph autoencoder context to learn graph feature representations. The learned features are fed into the spectral clustering algorithm for graph clustering. Experimental results on benchmark datasets demonstrate the superior performance of MGAE, compared to numerous baselines.

We formulate a new multi-task graph classification (MTG) problem, where multiple graph classification tasks are jointly regularized to find discriminative subgraphs shared by all tasks for learning. More details can be found in [1].

Graph classification aims to learn models to classify structure data. To date, all existing graph classification methods are designed to target one single learning task and require a large number of labeled samples for learning good classification models. In reality, each real-world task may only have a limited number of labeled samples, yet multiple similar learning tasks can provide useful knowledge to benefit all tasks as a whole. In this paper, we formulate a new multi-task graph classification (MTG) problem, where multiple graph classification tasks are jointly regularized to find discriminative subgraphs shared by all tasks for learning. The niche of MTG stems from the fact that with a limited number of training samples, subgraph features selected for one single graph classification task tend to overfit the training data. By using additional tasks as evaluation sets, MTG can jointly regularize multiple tasks to explore high quality subgraph features for graph classification. To achieve this goal, we formulate an objective function which combines multiple graph classification tasks to evaluate the informativeness score of a subgraph feature. An iterative subgraph feature exploration and multi-task learning process is further proposed to incrementally select subgraph features for graph classification. Experiments on real-world multi-task graph classification datasets demonstrate significant performance gain.

Graph classification has drawn great interests in recent years due to the increasing number of applications involving objects with complex structure relationships. To date, all existing graph classification algorithms assume, explicitly or implicitly, that misclassifying instances in different classes incurs an equal amount of cost (or risk), which is often not the case in real-life applications (where misclassifying a certain class of samples, such as diseased patients, is subject to more expensive costs than others). Although cost-sensitive learning has been extensively studied, all methods are based on data with instance-feature representation. Graphs, however, do not have features available for learning and the feature space of graph data is likely infinite and needs to be carefully explored in order to favor classes with a higher cost. In this paper, we propose, CogBoost, a fast cost-sensitive graph classification algorithm, which aims to minimize the misclassification costs (instead of the errors) and achieve fast learning speed for large scale graph data sets. To minimize the misclassification costs, CogBoost iteratively selects the most discriminative subgraph by considering costs of different classes, and then solves a linear programming problem in each iteration by using Bayes decision rule based optimal loss function. In addition, a cutting plane algorithm is derived to speed up the solving of linear programs for fast learning on large scale data sets. Experiments and comparisons on real-world large graph data sets demonstrate the effectiveness and the efficiency of our algorithm.

In traditional multi-instance learning (MIL), instances are typically represented by using a single feature view. As MIL becoming popular in domain specific learning tasks, aggregating multiple feature views to represent multi-instance bags has recently shown promising results, mainly because multiple views provide extra information for MIL tasks. Nevertheless, multiple views also increase the risk of involving redundant views and irrelevant features for learning. In this paper, we formulate a new cross-view feature selection problem that aims to identify the most representative features across all feature views for MIL. To achieve the goal, we design a new optimization problem by integrating both multi-view representation and multi-instance bag constraints. The solution to the objective function will ensure that the identified top-m features are the most informative ones across all feature views. Experiments on two real-world applications demonstrate the performance of the cross-view feature selection for content-based image retrieval and social media content recommendation.

Graph classification has traditionally focused on graphs generated from a single feature view. In many applications, it is common to have useful information from different channels/views to describe objects, which naturally results in a new representation with multiple graphs generated from different feature views being used to describe one object. In this paper, we formulate a new Multi-Graph-View learning task for graph classification, where each object to be classified contains graphs from multiple graph-views. This problem setting is essentially different from traditional single-graph-view graph classification, where graphs are from one single feature view. To solve the problem, we propose a Cross Graph-View Sub graph Feature based Learning (gCGVFL) algorithm that explores an optimal set of sub graphs, across multiple graph-views, as features to represent graphs. Specifically, we derive an evaluation criterion to estimate the discriminative power and the redundancy of sub graph features across all views, and assign proper weight values to each view to indicate its importance for graph classification. The iterative cross graph-view sub graph scoring and graph-view weight updating form a closed loop to find optimal sub graphs to represent graphs for multi-graph-view learning. Experiments and comparisons on real-world tasks demonstrate the algorithm's performance.

In this paper, we formulate a new multi-graph learning task with only positive and unlabeled bags, where labels are only available for bags but not for individual graphs inside the bag. This problem setting raises significant challenges because bag-of-graph setting does not have features to directly represent graph data, and no negative bags exits for deriving discriminative classification models. To solve the challenge, we propose a puMGL learning framework which relies on two iteratively combined processes for multigraph learning: (1) deriving features to represent graphs for learning; and (2) deriving discriminative models with only positive and unlabeled graph bags. For the former, we derive a subgraph scoring criterion to select a set of informative subgraphs to convert each graph into a feature space. To handle unlabeled bags, we assign a weight value to each bag and use the adjusted weight values to select most promising unlabeled bags as negative bags. A margin graph pool (MGP), which contains some representative graphs from positive bags and identified negative bags, is used for selecting subgraphs and training graph classifiers. The iterative subgraph scoring, bag weight updating, and MGP based graph classification forms a closed loop to find optimal subgraphs and most suitable unlabeled bags for multi-graph learning. Experiments and comparisons on real-world multigraph data demonstrate the algorithm performance.

Graph classification is becoming increasingly popular due to the rapidly rising applications involving data with structural dependency. The wide spread of the graph applications and the inherent complex relationships between graph objects have made the labels of the graph data expensive and/or difficult to obtain, especially for applications involving dynamic changing graph records. While labeled graphs are limited, the copious amounts of unlabeled graphs are often easy to obtain with trivial efforts. In this paper, we propose a framework to build a stream based graph classification model by combining both labeled and unlabeled graphs. Our method, called gSLU, employs an ensemble based framework to partition graph streams into a number of graph chunks each containing some labeled and unlabeled graphs. For each individual chunk, we propose a minimum-redundancy subgraph feature selection module to select a set of informative subgraph features to build a classifier. To tackle the concept drifting in graph streams, an instance level weighting mechanism is used to dynamically adjust the instance weight, through which the subgraph feature selection can emphasize on difficult graph samples. The classifiers built from different graph chunks form an ensemble for graph stream classification. Experiments on real-world graph streams demonstrate clear benefits of using minimum-redundancy subgraph features to build accurate classifiers. By employing instance level weighting, our graph ensemble model can effectively adapt to the concept drifting in the graph stream for classification.

In this paper, we propose to query correlated graph in a data stream scenario, where given a query graph q an algorithm is required to retrieve all the subgraphs whose Pearson's correlation coefficients with q are greater than a threshold Θ over some graph data flowing in a stream fashion. Due to the dynamic changing nature of the stream data and the inherent complexity of the graph query process, treating graph streams as static datasets is computationally infeasible or ineffective. In the paper, we propose a novel algorithm, CGStream, to identify correlated graphs from data stream, by using a sliding window which covers a number of consecutive batches of stream data records. Our theme is to regard stream query as the traversing along a data stream and the query is achieved at a number of outlooks over the data stream. For each outlook, we derive a lower frequency bound to mine a set of frequent subgraph candidates, where the lower bound guarantees that no pattern is missing from the current outlook to the next outlook. On top of that, we derive an upper correlation bound and a heuristic rule to prune the candidate size, which helps reduce the computation cost at each outlook. Experimental results demonstrate that the proposed algorithm is several times, or even an order of magnitude, more efficient than the straightforward algorithm. Meanwhile, our algorithm achieves good performance in terms of query precision.

In this paper, we propose to query correlated graphs in a data stream scenario, where an algorithm is required to retrieve the top k graphs which are mostly correlated to a query graph q. Due to the dynamic changing nature of the stream data and the inherent complexity of the graph query process, treating graph streams as static datasets is computationally infeasible or ineffective. In the paper, we propose a novel algorithm, Hoe-PGPL, to identify top-k correlated graphs from data stream, by using a sliding window which covers a number of consecutive batches of stream data records. Our theme is to employ Hoeffding bound to discover some potential candidates and use two level candidate checking (one corresponding to the whole sliding window level and one corresponding to the local data batch level) to accurately estimate the correlation of the emerging candidate patterns, without rechecking the historical stream data. Experimental results demonstrate that the proposed algorithm not only achieves good performance in terms of query precision and recall, but also is several times, or even an order of magnitude, more efficient than the straightforward algorithm with respect to the time and the memory consumption. Our method represents the first research endeavor for data stream based top-k correlated graph query.