Recent studies have highlighted the effectiveness of tensor decomposition methods in the Temporal Knowledge Graphs Embedding (TKGE) task. However, we found that inherent heterogeneity among factor tensors in tensor decomposition significantly hinders the tensor fusion process and further limits the performance of link prediction. To overcome this limitation, we introduce a novel method that maps factor tensors onto a unified smooth Lie group manifold to make the distribution of factor tensors approximating homogeneous in tensor decomposition. We provide the theoretical proof of our motivation that homogeneous tensors are more effective than heterogeneous tensors in tensor fusion and approximating the target for tensor decomposition based TKGE methods. The proposed method can be directly integrated into existing tensor decomposition based TKGE methods without introducing extra parameters. Extensive experiments demonstrate the effectiveness of our method in mitigating the heterogeneity and in enhancing the tensor decomposition based TKGE models.
Data deluge characteristic for our times has led to information overload, posing a significant challenge to effectively finding our way through the digital landscape. Addressing this issue requires an in-depth understanding of how we navigate through the abundance of information. Previous research has discovered multiple patterns in how individuals navigate in the geographic, social, and information spaces, yet individual differences in strategies for navigation in the knowledge space has remained largely unexplored. To bridge the gap, we conducted an online experiment where participants played a navigation game on Wikipedia and completed questionnaires about their personal information. Utilizing the hierarchical structure of the English Wikipedia and a graph embedding trained on it, we identified two navigation strategies and found that there are significant individual differences in the choices of them. Older, white and female participants tend to adopt a proximity-driven strategy, while younger participants prefer a hub-driven strategy. Our study connects social navigation to knowledge navigation: individuals' differing tendencies to use geographical and occupational information about the target person to navigate in the social space can be understood as different choices between the hub-driven and proximity-driven strategies in the knowledge space.
Sourcing and identification of new manufacturing partners is crucial for manufacturing system integrators to enhance agility and reduce risk through supply chain diversification in the global economy. The advent of advanced large language models has captured significant interest, due to their ability to generate comprehensive and articulate responses across a wide range of knowledge domains. However, the system often falls short in accuracy and completeness when responding to domain-specific inquiries, particularly in areas like manufacturing service discovery. This research explores the potential of leveraging Knowledge Graphs in conjunction with ChatGPT to streamline the process for prospective clients in identifying small manufacturing enterprises. In this study, we propose a method that integrates bottom-up ontology with advanced machine learning models to develop a Manufacturing Service Knowledge Graph from an array of structured and unstructured data sources, including the digital footprints of small-scale manufacturers throughout North America. The Knowledge Graph and the learned graph embedding vectors are leveraged to tackle intricate queries within the digital supply chain network, responding with enhanced reliability and greater interpretability. The approach highlighted is scalable to millions of entities that can be distributed to form a global Manufacturing Service Knowledge Network Graph that can potentially interconnect multiple types of Knowledge Graphs that span industry sectors, geopolitical boundaries, and business domains. The dataset developed for this study, now publicly accessible, encompasses more than 13,000 manufacturers' weblinks, manufacturing services, certifications, and location entity types.
Single-cell RNA sequencing (scRNA-seq) is essential for unraveling cellular heterogeneity and diversity, offering invaluable insights for bioinformatics advancements. Despite its potential, traditional clustering methods in scRNA-seq data analysis often neglect the structural information embedded in gene expression profiles, crucial for understanding cellular correlations and dependencies. Existing strategies, including graph neural networks, face challenges in handling the inefficiency due to scRNA-seq data's intrinsic high-dimension and high-sparsity. Addressing these limitations, we introduce scCDCG (single-cell RNA-seq Clustering via Deep Cut-informed Graph), a novel framework designed for efficient and accurate clustering of scRNA-seq data that simultaneously utilizes intercellular high-order structural information. scCDCG comprises three main components: (i) A graph embedding module utilizing deep cut-informed techniques, which effectively captures intercellular high-order structural information, overcoming the over-smoothing and inefficiency issues prevalent in prior graph neural network methods. (ii) A self-supervised learning module guided by optimal transport, tailored to accommodate the unique complexities of scRNA-seq data, specifically its high-dimension and high-sparsity. (iii) An autoencoder-based feature learning module that simplifies model complexity through effective dimension reduction and feature extraction. Our extensive experiments on 6 datasets demonstrate scCDCG's superior performance and efficiency compared to 7 established models, underscoring scCDCG's potential as a transformative tool in scRNA-seq data analysis. Our code is available at: https://github.com/XPgogogo/scCDCG.
Knowledge graph completion (KGC) aims to alleviate the inherent incompleteness of knowledge graphs (KGs), which is a critical task for various applications, such as recommendations on the web. Although knowledge graph embedding (KGE) models have demonstrated superior predictive performance on KGC tasks, these models infer missing links in a black-box manner that lacks transparency and accountability, preventing researchers from developing accountable models. Existing KGE-based explanation methods focus on exploring key paths or isolated edges as explanations, which is information-less to reason target prediction. Additionally, the missing ground truth leads to these explanation methods being ineffective in quantitatively evaluating explored explanations. To overcome these limitations, we propose KGExplainer, a model-agnostic method that identifies connected subgraph explanations and distills an evaluator to assess them quantitatively. KGExplainer employs a perturbation-based greedy search algorithm to find key connected subgraphs as explanations within the local structure of target predictions. To evaluate the quality of the explored explanations, KGExplainer distills an evaluator from the target KGE model. By forwarding the explanations to the evaluator, our method can examine the fidelity of them. Extensive experiments on benchmark datasets demonstrate that KGExplainer yields promising improvement and achieves an optimal ratio of 83.3% in human evaluation.
This paper explores the utilization of Temporal Graph Networks (TGN) for financial anomaly detection, a pressing need in the era of fintech and digitized financial transactions. We present a comprehensive framework that leverages TGN, capable of capturing dynamic changes in edges within financial networks, for fraud detection. Our study compares TGN's performance against static Graph Neural Network (GNN) baselines, as well as cutting-edge hypergraph neural network baselines using DGraph dataset for a realistic financial context. Our results demonstrate that TGN significantly outperforms other models in terms of AUC metrics. This superior performance underlines TGN's potential as an effective tool for detecting financial fraud, showcasing its ability to adapt to the dynamic and complex nature of modern financial systems. We also experimented with various graph embedding modules within the TGN framework and compared the effectiveness of each module. In conclusion, we demonstrated that, even with variations within TGN, it is possible to achieve good performance in the anomaly detection task.
Heterogeneous graphs are ubiquitous in real-world applications because they can represent various relationships between different types of entities. Therefore, learning embeddings in such graphs is a critical problem in graph machine learning. However, existing solutions for this problem fail to scale to large heterogeneous graphs due to their high computational complexity. To address this issue, we propose a Multi-Level Embedding framework of nodes on a heterogeneous graph (HeteroMILE) - a generic methodology that allows contemporary graph embedding methods to scale to large graphs. HeteroMILE repeatedly coarsens the large sized graph into a smaller size while preserving the backbone structure of the graph before embedding it, effectively reducing the computational cost by avoiding time-consuming processing operations. It then refines the coarsened embedding to the original graph using a heterogeneous graph convolution neural network. We evaluate our approach using several popular heterogeneous graph datasets. The experimental results show that HeteroMILE can substantially reduce computational time (approximately 20x speedup) and generate an embedding of better quality for link prediction and node classification.
Graph representation learning has rapidly emerged as a pivotal field of study. Despite its growing popularity, the majority of research has been confined to embedding single-layer graphs, which fall short in representing complex systems with multifaceted relationships. To bridge this gap, we introduce MPXGAT, an innovative attention-based deep learning model tailored to multiplex graph embedding. Leveraging the robustness of Graph Attention Networks (GATs), MPXGAT captures the structure of multiplex networks by harnessing both intra-layer and inter-layer connections. This exploitation facilitates accurate link prediction within and across the network's multiple layers. Our comprehensive experimental evaluation, conducted on various benchmark datasets, confirms that MPXGAT consistently outperforms state-of-the-art competing algorithms.
In recent years, incomplete multi-view clustering, which studies the challenging multi-view clustering problem on missing views, has received growing research interests. Although a series of methods have been proposed to address this issue, the following problems still exist: 1) Almost all of the existing methods are based on shallow models, which is difficult to obtain discriminative common representations. 2) These methods are generally sensitive to noise or outliers since the negative samples are treated equally as the important samples. In this paper, we propose a novel incomplete multi-view clustering network, called Cognitive Deep Incomplete Multi-view Clustering Network (CDIMC-net), to address these issues. Specifically, it captures the high-level features and local structure of each view by incorporating the view-specific deep encoders and graph embedding strategy into a framework. Moreover, based on the human cognition, i.e., learning from easy to hard, it introduces a self-paced strategy to select the most confident samples for model training, which can reduce the negative influence of outliers. Experimental results on several incomplete datasets show that CDIMC-net outperforms the state-of-the-art incomplete multi-view clustering methods.
The construction of large open knowledge bases (OKBs) is integral to many knowledge-driven applications on the world wide web such as web search. However, noun phrases and relational phrases in OKBs often suffer from redundancy and ambiguity, which calls for the investigation on OKB canonicalization. Current solutions address OKB canonicalization by devising advanced clustering algorithms and using knowledge graph embedding (KGE) to further facilitate the canonicalization process. Nevertheless, these works fail to fully exploit the synergy between clustering and KGE learning, and the methods designed for these subtasks are sub-optimal. To this end, we put forward a multi-task learning framework, namely MulCanon, to tackle OKB canonicalization. In addition, diffusion model is used in the soft clustering process to improve the noun phrase representations with neighboring information, which can lead to more accurate representations. MulCanon unifies the learning objectives of these sub-tasks, and adopts a two-stage multi-task learning paradigm for training. A thorough experimental study on popular OKB canonicalization benchmarks validates that MulCanon can achieve competitive canonicalization results.
Pre-routing timing prediction has been recently studied for evaluating the quality of a candidate cell placement in chip design. It involves directly estimating the timing metrics for both pin-level (slack, slew) and edge-level (net delay, cell delay), without time-consuming routing. However, it often suffers from signal decay and error accumulation due to the long timing paths in large-scale industrial circuits. To address these challenges, we propose a two-stage approach. First, we propose global circuit training to pre-train a graph auto-encoder that learns the global graph embedding from circuit netlist. Second, we use a novel node updating scheme for message passing on GCN, following the topological sorting sequence of the learned graph embedding and circuit graph. This scheme residually models the local time delay between two adjacent pins in the updating sequence, and extracts the lookup table information inside each cell via a new attention mechanism. To handle large-scale circuits efficiently, we introduce an order preserving partition scheme that reduces memory consumption while maintaining the topological dependencies. Experiments on 21 real world circuits achieve a new SOTA R2 of 0.93 for slack prediction, which is significantly surpasses 0.59 by previous SOTA method. Code will be available at: https://github.com/Thinklab-SJTU/EDA-AI.
Traffic prediction constitutes a pivotal facet within the purview of Intelligent Transportation Systems (ITS), and the attainment of highly precise predictions holds profound significance for efficacious traffic management. The precision of prevailing deep learning-driven traffic prediction models typically sees an upward trend with a rise in the volume of training data. However, the procurement of comprehensive spatiotemporal datasets for traffic is often fraught with challenges, primarily stemming from the substantial costs associated with data collection and retention. Consequently, developing a model that can achieve accurate predictions and good generalization ability in areas with limited historical traffic data is a challenging problem. It is noteworthy that the rapidly advancing pretrained Large Language Models (LLMs) of recent years have demonstrated exceptional proficiency in cross-modality knowledge transfer and few-shot learning. Recognizing the sequential nature of traffic data, similar to language, we introduce TPLLM, a novel traffic prediction framework leveraging LLMs. In this framework, we construct a sequence embedding layer based on Convolutional Neural Networks (CNNs) and a graph embedding layer based on Graph Convolutional Networks (GCNs) to extract sequence features and spatial features, respectively. These are subsequently integrated to form inputs that are suitable for LLMs. A Low-Rank Adaptation (LoRA) fine-tuning approach is applied to TPLLM, thereby facilitating efficient learning and minimizing computational demands. Experiments on two real-world datasets demonstrate that TPLLM exhibits commendable performance in both full-sample and few-shot prediction scenarios, effectively supporting the development of ITS in regions with scarce historical traffic data.
Graph Neural Networks (GNNs) have garnered intensive attention for Network Intrusion Detection System (NIDS) due to their suitability for representing the network traffic flows. However, most present GNN-based methods for NIDS are supervised or semi-supervised. Network flows need to be manually annotated as supervisory labels, a process that is time-consuming or even impossible, making NIDS difficult to adapt to potentially complex attacks, especially in large-scale real-world scenarios. The existing GNN-based self-supervised methods focus on the binary classification of network flow as benign or not, and thus fail to reveal the types of attack in practice. This paper studies the application of GNNs to identify the specific types of network flows in an unsupervised manner. We first design an encoder to obtain graph embedding, that introduces the graph attention mechanism and considers the edge information as the only essential factor. Then, a self-supervised method based on graph contrastive learning is proposed. The method samples center nodes, and for each center node, generates subgraph by it and its direct neighbor nodes, and corresponding contrastive subgraph from the interpolated graph, and finally constructs positive and negative samples from subgraphs. Furthermore, a structured contrastive loss function based on edge features and graph local topology is introduced. To the best of our knowledge, it is the first GNN-based self-supervised method for the multiclass classification of network flows in NIDS. Detailed experiments conducted on four real-world databases (NF-Bot-IoT, NF-Bot-IoT-v2, NF-CSE-CIC-IDS2018, and NF-CSE-CIC-IDS2018-v2) systematically compare our model with the state-of-the-art supervised and self-supervised models, illustrating the considerable potential of our method. Our code is accessible through https://github.com/renj-xu/NEGSC.
Accurate traffic forecasting is challenging due to the complex dependency on road networks, various types of roads, and the abrupt speed change due to the events. Recent works mainly focus on dynamic spatial modeling with adaptive graph embedding or graph attention having less consideration for temporal characteristics and in-situ modeling. In this paper, we propose a novel deep learning model named TESTAM, which individually models recurring and non-recurring traffic patterns by a mixture-of-experts model with three experts on temporal modeling, spatio-temporal modeling with static graph, and dynamic spatio-temporal dependency modeling with dynamic graph. By introducing different experts and properly routing them, TESTAM could better model various circumstances, including spatially isolated nodes, highly related nodes, and recurring and non-recurring events. For the proper routing, we reformulate a gating problem into a classification problem with pseudo labels. Experimental results on three public traffic network datasets, METR-LA, PEMS-BAY, and EXPY-TKY, demonstrate that TESTAM achieves a better indication and modeling of recurring and non-recurring traffic. We published the official code at https://github.com/HyunWookL/TESTAM
Efficiently solving unbalanced three-phase power flow in distribution grids is pivotal for grid analysis and simulation. There is a pressing need for scalable algorithms capable of handling large-scale unbalanced power grids that can provide accurate and fast solutions. To address this, deep learning techniques, especially Graph Neural Networks (GNNs), have emerged. However, existing literature primarily focuses on balanced networks, leaving a critical gap in supporting unbalanced three-phase power grids. This letter introduces PowerFlowMultiNet, a novel multigraph GNN framework explicitly designed for unbalanced three-phase power grids. The proposed approach models each phase separately in a multigraph representation, effectively capturing the inherent asymmetry in unbalanced grids. A graph embedding mechanism utilizing message passing is introduced to capture spatial dependencies within the power system network. PowerFlowMultiNet outperforms traditional methods and other deep learning approaches in terms of accuracy and computational speed. Rigorous testing reveals significantly lower error rates and a notable hundredfold increase in computational speed for large power networks compared to model-based methods.
Knowledge Graph Representation Learning (KGRL), or Knowledge Graph Embedding (KGE), is essential for AI applications such as knowledge construction and information retrieval. These models encode entities and relations into lower-dimensional vectors, supporting tasks like link prediction and recommendation systems. Training KGE models relies on both positive and negative samples for effective learning, but generating high-quality negative samples from existing knowledge graphs is challenging. The quality of these samples significantly impacts the model's accuracy. This comprehensive survey paper systematically reviews various negative sampling (NS) methods and their contributions to the success of KGRL. Their respective advantages and disadvantages are outlined by categorizing existing NS methods into six distinct categories. Moreover, this survey identifies open research questions that serve as potential directions for future investigations. By offering a generalization and alignment of fundamental NS concepts, this survey provides valuable insights for designing effective NS methods in the context of KGRL and serves as a motivating force for further advancements in the field.
Commonsense knowledge graph completion is a new challenge for commonsense knowledge graph construction and application. In contrast to factual knowledge graphs such as Freebase and YAGO, commonsense knowledge graphs (CSKGs; e.g., ConceptNet) utilize free-form text to represent named entities, short phrases, and events as their nodes. Such a loose structure results in large and sparse CSKGs, which makes the semantic understanding of these nodes more critical for learning rich commonsense knowledge graph embedding. While current methods leverage semantic similarities to increase the graph density, the semantic plausibility of the nodes and their relations are under-explored. Previous works adopt conceptual abstraction to improve the consistency of modeling (event) plausibility, but they are not scalable enough and still suffer from data sparsity. In this paper, we propose to adopt textual entailment to find implicit entailment relations between CSKG nodes, to effectively densify the subgraph connecting nodes within the same conceptual class, which indicates a similar level of plausibility. Each node in CSKG finds its top entailed nodes using a finetuned transformer over natural language inference (NLI) tasks, which sufficiently capture textual entailment signals. The entailment relation between these nodes are further utilized to: 1) build new connections between source triplets and entailed nodes to densify the sparse CSKGs; 2) enrich the generalization ability of node representations by comparing the node embeddings with a contrastive loss. Experiments on two standard CSKGs demonstrate that our proposed framework EntailE can improve the performance of CSKG completion tasks under both transductive and inductive settings.
Modern graph neural networks (GNNs) can be sensitive to changes in the input graph structure and node features, potentially resulting in unpredictable behavior and degraded performance. In this work, we introduce a spectral framework known as SAGMAN for examining the stability of GNNs. This framework assesses the distance distortions that arise from the nonlinear mappings of GNNs between the input and output manifolds: when two nearby nodes on the input manifold are mapped (through a GNN model) to two distant ones on the output manifold, it implies a large distance distortion and thus a poor GNN stability. We propose a distance-preserving graph dimension reduction (GDR) approach that utilizes spectral graph embedding and probabilistic graphical models (PGMs) to create low-dimensional input/output graph-based manifolds for meaningful stability analysis. Our empirical evaluations show that SAGMAN effectively assesses the stability of each node when subjected to various edge or feature perturbations, offering a scalable approach for evaluating the stability of GNNs, extending to applications within recommendation systems. Furthermore, we illustrate its utility in downstream tasks, notably in enhancing GNN stability and facilitating adversarial targeted attacks.
Knowledge graph embedding (KGE) models achieved state-of-the-art results on many knowledge graph tasks including link prediction and information retrieval. Despite the superior performance of KGE models in practice, we discover a deficiency in the expressiveness of some popular existing KGE models called \emph{Z-paradox}. Motivated by the existence of Z-paradox, we propose a new KGE model called \emph{MQuinE} that does not suffer from Z-paradox while preserves strong expressiveness to model various relation patterns including symmetric/asymmetric, inverse, 1-N/N-1/N-N, and composition relations with theoretical justification. Experiments on real-world knowledge bases indicate that Z-paradox indeed degrades the performance of existing KGE models, and can cause more than 20\% accuracy drop on some challenging test samples. Our experiments further demonstrate that MQuinE can mitigate the negative impact of Z-paradox and outperform existing KGE models by a visible margin on link prediction tasks.
Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution operation by using both attribute and structure information through coupled learning. In essence, GNNs, from an optimization perspective, seek to learn a consensus and compromise embedding representation that balances attribute and graph information, selectively exploring and retaining valid information. To obtain a more comprehensive embedding representation of nodes, a novel GNNs framework, dubbed Decoupled Graph Neural Networks (DGNN), is introduced. DGNN explores distinctive embedding representations from the attribute and graph spaces by decoupled terms. Considering that semantic graph, constructed from attribute feature space, consists of different node connection information and provides enhancement for the topological graph, both topological and semantic graphs are combined for the embedding representation learning. Further, structural consistency among attribute embedding and graph embeddings is promoted to effectively remove redundant information and establish soft connection. This involves promoting factor sharing for adjacency reconstruction matrices, facilitating the exploration of a consensus and high-level correlation. Finally, a more powerful and complete representation is achieved through the concatenation of these embeddings. Experimental results conducted on several graph benchmark datasets verify its superiority in node classification task.