Ensuring the security of cloud environments is imperative for sustaining organizational growth and operational efficiency. As the ubiquity of cloud services continues to rise, the inevitability of cyber threats underscores the importance of preemptive detection. This paper introduces a pioneering time-based embedding approach for Cloud Services Graph-based Anomaly Detection (CS-GAD), utilizing a Graph Neural Network (GNN) to discern anomalous user behavior during interactions with cloud services. Our method employs a dynamic tripartite graph representation to encapsulate the evolving interactions among cloud services, users, and their activities over time. Leveraging GNN models in each time frame, our approach generates a graph embedding wherein each user is assigned a score based on their historical activity, facilitating the identification of unusual behavior. Results demonstrate a notable reduction in false positive rates (2-9%) compared to prevailing methods, coupled with a commendable true positive rate (100%). The contributions of this work encompass early detection capabilities, a low false positive rate, an innovative tripartite graph representation incorporating action types, the introduction of a new cloud services dataset featuring various user attacks, and an open-source implementation for community collaboration in advancing cloud service security.
Knowledge Graph Completion has been increasingly adopted as a useful method for several tasks in biomedical research, like drug repurposing or drug-target identification. To that end, a variety of datasets and Knowledge Graph Embedding models has been proposed over the years. However, little is known about the properties that render a dataset useful for a given task and, even though theoretical properties of Knowledge Graph Embedding models are well understood, their practical utility in this field remains controversial. We conduct a comprehensive investigation into the topological properties of publicly available biomedical Knowledge Graphs and establish links to the accuracy observed in real-world applications. By releasing all model predictions and a new suite of analysis tools we invite the community to build upon our work and continue improving the understanding of these crucial applications.
Multimodal Sentiment Analysis (MSA) leverages multiple data modals to analyze human sentiment. Existing MSA models generally employ cutting-edge multimodal fusion and representation learning-based methods to promote MSA capability. However, there are two key challenges: (i) in existing multimodal fusion methods, the decoupling of modal combinations and tremendous parameter redundancy, lead to insufficient fusion performance and efficiency; (ii) a challenging trade-off exists between representation capability and computational overhead in unimodal feature extractors and encoders. Our proposed GSIFN incorporates two main components to solve these problems: (i) a graph-structured and interlaced-masked multimodal Transformer. It adopts the Interlaced Mask mechanism to construct robust multimodal graph embedding, achieve all-modal-in-one Transformer-based fusion, and greatly reduce the computational overhead; (ii) a self-supervised learning framework with low computational overhead and high performance, which utilizes a parallelized LSTM with matrix memory to enhance non-verbal modal features for unimodal label generation. Evaluated on the MSA datasets CMU-MOSI, CMU-MOSEI, and CH-SIMS, GSIFN demonstrates superior performance with significantly lower computational overhead compared with previous state-of-the-art models.
The swift advancement of single-cell RNA sequencing (scRNA-seq) technologies enables the investigation of cellular-level tissue heterogeneity. Cell annotation significantly contributes to the extensive downstream analysis of scRNA-seq data. However, The analysis of scRNA-seq for biological inference presents challenges owing to its intricate and indeterminate data distribution, characterized by a substantial volume and a high frequency of dropout events. Furthermore, the quality of training samples varies greatly, and the performance of the popular scRNA-seq data clustering solution GNN could be harmed by two types of low-quality training nodes: 1) nodes on the boundary; 2) nodes that contribute little additional information to the graph. To address these problems, we propose a single-cell curriculum learning-based deep graph embedding clustering (scCLG). We first propose a Chebyshev graph convolutional autoencoder with multi-criteria (ChebAE) that combines three optimization objectives, including topology reconstruction loss of cell graphs, zero-inflated negative binomial (ZINB) loss, and clustering loss, to learn cell-cell topology representation. Meanwhile, we employ a selective training strategy to train GNN based on the features and entropy of nodes and prune the difficult nodes based on the difficulty scores to keep the high-quality graph. Empirical results on a variety of gene expression datasets show that our model outperforms state-of-the-art methods. The code of scCLG will be made publicly available at https://github.com/LFD-byte/scCLG.
Temporal knowledge graph completion aims to infer the missing facts in temporal knowledge graphs. Current approaches usually embed factual knowledge into continuous vector space and apply geometric operations to learn potential patterns in temporal knowledge graphs. However, these methods only adopt a single operation, which may have limitations in capturing the complex temporal dynamics present in temporal knowledge graphs. Therefore, we propose a simple but effective method, i.e. TCompoundE, which is specially designed with two geometric operations, including time-specific and relation-specific operations. We provide mathematical proofs to demonstrate the ability of TCompoundE to encode various relation patterns. Experimental results show that our proposed model significantly outperforms existing temporal knowledge graph embedding models. Our code is available at https://github.com/nk-ruiying/TCompoundE.
Continual Knowledge Graph Embedding (CKGE) aims to efficiently learn new knowledge and simultaneously preserve old knowledge. Dominant approaches primarily focus on alleviating catastrophic forgetting of old knowledge but neglect efficient learning for the emergence of new knowledge. However, in real-world scenarios, knowledge graphs (KGs) are continuously growing, which brings a significant challenge to fine-tuning KGE models efficiently. To address this issue, we propose a fast CKGE framework (\model), incorporating an incremental low-rank adapter (\mec) mechanism to efficiently acquire new knowledge while preserving old knowledge. Specifically, to mitigate catastrophic forgetting, \model\ isolates and allocates new knowledge to specific layers based on the fine-grained influence between old and new KGs. Subsequently, to accelerate fine-tuning, \model\ devises an efficient \mec\ mechanism, which embeds the specific layers into incremental low-rank adapters with fewer training parameters. Moreover, \mec\ introduces adaptive rank allocation, which makes the LoRA aware of the importance of entities and adjusts its rank scale adaptively. We conduct experiments on four public datasets and two new datasets with a larger initial scale. Experimental results demonstrate that \model\ can reduce training time by 34\%-49\% while still achieving competitive link prediction performance against state-of-the-art models on four public datasets (average MRR score of 21.0\% vs. 21.1\%).Meanwhile, on two newly constructed datasets, \model\ saves 51\%-68\% training time and improves link prediction performance by 1.5\%.
Knowledge Graphs (KGs) are fundamental resources in knowledge-intensive tasks in NLP. Due to the limitation of manually creating KGs, KG Completion (KGC) has an important role in automatically completing KGs by scoring their links with KG Embedding (KGE). To handle many entities in training, KGE relies on Negative Sampling (NS) loss that can reduce the computational cost by sampling. Since the appearance frequencies for each link are at most one in KGs, sparsity is an essential and inevitable problem. The NS loss is no exception. As a solution, the NS loss in KGE relies on smoothing methods like Self-Adversarial Negative Sampling (SANS) and subsampling. However, it is uncertain what kind of smoothing method is suitable for this purpose due to the lack of theoretical understanding. This paper provides theoretical interpretations of the smoothing methods for the NS loss in KGE and induces a new NS loss, Triplet Adaptive Negative Sampling (TANS), that can cover the characteristics of the conventional smoothing methods. Experimental results of TransE, DistMult, ComplEx, RotatE, HAKE, and HousE on FB15k-237, WN18RR, and YAGO3-10 datasets and their sparser subsets show the soundness of our interpretation and performance improvement by our TANS.
Recent studies successfully learned static graph embeddings that are structurally fair by preventing the effectiveness disparity of high- and low-degree vertex groups in downstream graph mining tasks. However, achieving structure fairness in dynamic graph embedding remains an open problem. Neglecting degree changes in dynamic graphs will significantly impair embedding effectiveness without notably improving structure fairness. This is because the embedding performance of high-degree and low-to-high-degree vertices will significantly drop close to the generally poorer embedding performance of most slightly changed vertices in the long-tail part of the power-law distribution. We first identify biased structural evolutions in a dynamic graph based on the evolving trend of vertex degree and then propose FairDGE, the first structurally Fair Dynamic Graph Embedding algorithm. FairDGE learns biased structural evolutions by jointly embedding the connection changes among vertices and the long-short-term evolutionary trend of vertex degrees. Furthermore, a novel dual debiasing approach is devised to encode fair embeddings contrastively, customizing debiasing strategies for different biased structural evolutions. This innovative debiasing strategy breaks the effectiveness bottleneck of embeddings without notable fairness loss. Extensive experiments demonstrate that FairDGE achieves simultaneous improvement in the effectiveness and fairness of embeddings.
Representation learning on text-attributed graphs (TAGs), where nodes are represented by textual descriptions, is crucial for textual and relational knowledge systems and recommendation systems. Currently, state-of-the-art embedding methods for TAGs primarily focus on fine-tuning language models (e.g., BERT) using structure-aware training signals. While effective, these methods are tailored for individual TAG and cannot generalize across various graph scenarios. Given the shared textual space, leveraging multiple TAGs for joint fine-tuning, aligning text and graph structure from different aspects, would be more beneficial. Motivated by this, we introduce a novel Unified Graph Language Model (UniGLM) framework, the first graph embedding model that generalizes well to both in-domain and cross-domain TAGs. Specifically, UniGLM is trained over multiple TAGs with different domains and scales using self-supervised contrastive learning. UniGLM includes an adaptive positive sample selection technique for identifying structurally similar nodes and a lazy contrastive module that is devised to accelerate training by minimizing repetitive encoding calculations. Extensive empirical results across 9 benchmark TAGs demonstrate UniGLM's efficacy against leading embedding baselines in terms of generalization (various downstream tasks and backbones) and transfer learning (in and out of domain scenarios). The code is available at https://github.com/NYUSHCS/UniGLM.
Current directed graph embedding methods build upon undirected techniques but often inadequately capture directed edge information, leading to challenges such as: (1) Suboptimal representations for nodes with low in/out-degrees, due to the insufficient neighbor interactions; (2) Limited inductive ability for representing new nodes post-training; (3) Narrow generalizability, as training is overly coupled with specific tasks. In response, we propose DUPLEX, an inductive framework for complex embeddings of directed graphs. It (1) leverages Hermitian adjacency matrix decomposition for comprehensive neighbor integration, (2) employs a dual GAT encoder for directional neighbor modeling, and (3) features two parameter-free decoders to decouple training from particular tasks. DUPLEX outperforms state-of-the-art models, especially for nodes with sparse connectivity, and demonstrates robust inductive capability and adaptability across various tasks. The code is available at https://github.com/alipay/DUPLEX.
While there are a plethora of methods for link prediction in knowledge graphs, state-of-the-art approaches are often black box, obfuscating model reasoning and thereby limiting the ability of users to make informed decisions about model predictions. Recently, methods have emerged to generate prediction explanations for Knowledge Graph Embedding models, a widely-used class of methods for link prediction. The question then becomes, how well do these explanation systems work? To date this has generally been addressed anecdotally, or through time-consuming user research. In this work, we present an in-depth exploration of a simple link prediction explanation method we call LinkLogic, that surfaces and ranks explanatory information used for the prediction. Importantly, we construct the first-ever link prediction explanation benchmark, based on family structures present in the FB13 dataset. We demonstrate the use of this benchmark as a rich evaluation sandbox, probing LinkLogic quantitatively and qualitatively to assess the fidelity, selectivity and relevance of the generated explanations. We hope our work paves the way for more holistic and empirical assessment of knowledge graph prediction explanation methods in the future.
In recent years, graph neural networks (GNNs) have become increasingly popular for solving NP-hard combinatorial optimization (CO) problems, such as maximum cut and maximum independent set. The core idea behind these methods is to represent a CO problem as a graph and then use GNNs to learn the node/graph embedding with combinatorial information. Although these methods have achieved promising results, given a specific CO problem, the design of GNN architectures still requires heavy manual work with domain knowledge. Existing automated GNNs are mostly focused on traditional graph learning problems, which is inapplicable to solving NP-hard CO problems. To this end, we present a new class of \textbf{AUTO}mated \textbf{G}NNs for solving \textbf{NP}-hard problems, namely \textbf{AutoGNP}. We represent CO problems by GNNs and focus on two specific problems, i.e., mixed integer linear programming and quadratic unconstrained binary optimization. The idea of AutoGNP is to use graph neural architecture search algorithms to automatically find the best GNNs for a given NP-hard combinatorial optimization problem. Compared with existing graph neural architecture search algorithms, AutoGNP utilizes two-hop operators in the architecture search space. Moreover, AutoGNP utilizes simulated annealing and a strict early stopping policy to avoid local optimal solutions. Empirical results on benchmark combinatorial problems demonstrate the superiority of our proposed model.
Dynamic graphs provide a flexible data abstraction for modelling many sorts of real-world systems, such as transport, trade, and social networks. Graph neural networks (GNNs) are powerful tools allowing for different kinds of prediction and inference on these systems, but getting a handle on uncertainty, especially in dynamic settings, is a challenging problem. In this work we propose to use a dynamic graph representation known in the tensor literature as the unfolding, to achieve valid prediction sets via conformal prediction. This representation, a simple graph, can be input to any standard GNN and does not require any modification to existing GNN architectures or conformal prediction routines. One of our key contributions is a careful mathematical consideration of the different inference scenarios which can arise in a dynamic graph modelling context. For a range of practically relevant cases, we obtain valid prediction sets with almost no assumptions, even dispensing with exchangeability. In a more challenging scenario, which we call the semi-inductive regime, we achieve valid prediction under stronger assumptions, akin to stationarity. We provide real data examples demonstrating validity, showing improved accuracy over baselines, and sign-posting different failure modes which can occur when those assumptions are violated.
In many applications, we desire neural networks to exhibit invariance or equivariance to certain groups due to symmetries inherent in the data. Recently, frame-averaging methods emerged to be a unified framework for attaining symmetries efficiently by averaging over input-dependent subsets of the group, i.e., frames. What we currently lack is a principled understanding of the design of frames. In this work, we introduce a canonicalization perspective that provides an essential and complete view of the design of frames. Canonicalization is a classic approach for attaining invariance by mapping inputs to their canonical forms. We show that there exists an inherent connection between frames and canonical forms. Leveraging this connection, we can efficiently compare the complexity of frames as well as determine the optimality of certain frames. Guided by this principle, we design novel frames for eigenvectors that are strictly superior to existing methods -- some are even optimal -- both theoretically and empirically. The reduction to the canonicalization perspective further uncovers equivalences between previous methods. These observations suggest that canonicalization provides a fundamental understanding of existing frame-averaging methods and unifies existing equivariant and invariant learning methods. Code is available at https://github.com/PKU-ML/canonicalization.
Knowledge Graph Embedding (KGE) techniques are crucial in learning compact representations of entities and relations within a knowledge graph, facilitating efficient reasoning and knowledge discovery. While existing methods typically focus either on training KGE models solely based on graph structure or fine-tuning pre-trained language models with classification data in KG, KG-FIT leverages LLM-guided refinement to construct a semantically coherent hierarchical structure of entity clusters. By incorporating this hierarchical knowledge along with textual information during the fine-tuning process, KG-FIT effectively captures both global semantics from the LLM and local semantics from the KG. Extensive experiments on the benchmark datasets FB15K-237, YAGO3-10, and PrimeKG demonstrate the superiority of KG-FIT over state-of-the-art pre-trained language model-based methods, achieving improvements of 14.4%, 13.5%, and 11.9% in the Hits@10 metric for the link prediction task, respectively. Furthermore, KG-FIT yields substantial performance gains of 12.6%, 6.7%, and 17.7% compared to the structure-based base models upon which it is built. These results highlight the effectiveness of KG-FIT in incorporating open-world knowledge from LLMs to significantly enhance the expressiveness and informativeness of KG embeddings.
Recent advances in knowledge graph embedding (KGE) rely on Euclidean/hyperbolic orthogonal relation transformations to model intrinsic logical patterns and topological structures. However, existing approaches are confined to rigid relational orthogonalization with restricted dimension and homogeneous geometry, leading to deficient modeling capability. In this work, we move beyond these approaches in terms of both dimension and geometry by introducing a powerful framework named GoldE, which features a universal orthogonal parameterization based on a generalized form of Householder reflection. Such parameterization can naturally achieve dimensional extension and geometric unification with theoretical guarantees, enabling our framework to simultaneously capture crucial logical patterns and inherent topological heterogeneity of knowledge graphs. Empirically, GoldE achieves state-of-the-art performance on three standard benchmarks. Codes are available at https://github.com/xxrep/GoldE.
Traditional knowledge graph embedding (KGE) methods typically require preserving the entire knowledge graph (KG) with significant training costs when new knowledge emerges. To address this issue, the continual knowledge graph embedding (CKGE) task has been proposed to train the KGE model by learning emerging knowledge efficiently while simultaneously preserving decent old knowledge. However, the explicit graph structure in KGs, which is critical for the above goal, has been heavily ignored by existing CKGE methods. On the one hand, existing methods usually learn new triples in a random order, destroying the inner structure of new KGs. On the other hand, old triples are preserved with equal priority, failing to alleviate catastrophic forgetting effectively. In this paper, we propose a competitive method for CKGE based on incremental distillation (IncDE), which considers the full use of the explicit graph structure in KGs. First, to optimize the learning order, we introduce a hierarchical strategy, ranking new triples for layer-by-layer learning. By employing the inter- and intra-hierarchical orders together, new triples are grouped into layers based on the graph structure features. Secondly, to preserve the old knowledge effectively, we devise a novel incremental distillation mechanism, which facilitates the seamless transfer of entity representations from the previous layer to the next one, promoting old knowledge preservation. Finally, we adopt a two-stage training paradigm to avoid the over-corruption of old knowledge influenced by under-trained new knowledge. Experimental results demonstrate the superiority of IncDE over state-of-the-art baselines. Notably, the incremental distillation mechanism contributes to improvements of 0.2%-6.5% in the mean reciprocal rank (MRR) score.
Causal networks are useful in a wide variety of applications, from medical diagnosis to root-cause analysis in manufacturing. In practice, however, causal networks are often incomplete with missing causal relations. This paper presents a novel approach, called CausalLP, that formulates the issue of incomplete causal networks as a knowledge graph completion problem. More specifically, the task of finding new causal relations in an incomplete causal network is mapped to the task of knowledge graph link prediction. The use of knowledge graphs to represent causal relations enables the integration of external domain knowledge; and as an added complexity, the causal relations have weights representing the strength of the causal association between entities in the knowledge graph. Two primary tasks are supported by CausalLP: causal explanation and causal prediction. An evaluation of this approach uses a benchmark dataset of simulated videos for causal reasoning, CLEVRER-Humans, and compares the performance of multiple knowledge graph embedding algorithms. Two distinct dataset splitting approaches are used for evaluation: (1) random-based split, which is the method typically employed to evaluate link prediction algorithms, and (2) Markov-based split, a novel data split technique that utilizes the Markovian property of causal relations. Results show that using weighted causal relations improves causal link prediction over the baseline without weighted relations.
This study investigates the robustness of graph embedding methods for community detection in the face of network perturbations, specifically edge deletions. Graph embedding techniques, which represent nodes as low-dimensional vectors, are widely used for various graph machine learning tasks due to their ability to capture structural properties of networks effectively. However, the impact of perturbations on the performance of these methods remains relatively understudied. The research considers state-of-the-art graph embedding methods from two families: matrix factorization (e.g., LE, LLE, HOPE, M-NMF) and random walk-based (e.g., DeepWalk, LINE, node2vec). Through experiments conducted on both synthetic and real-world networks, the study reveals varying degrees of robustness within each family of graph embedding methods. The robustness is found to be influenced by factors such as network size, initial community partition strength, and the type of perturbation. Notably, node2vec and LLE consistently demonstrate higher robustness for community detection across different scenarios, including networks with degree and community size heterogeneity. These findings highlight the importance of selecting an appropriate graph embedding method based on the specific characteristics of the network and the task at hand, particularly in scenarios where robustness to perturbations is crucial.
Distinguished from traditional knowledge graphs (KGs), temporal knowledge graphs (TKGs) must explore and reason over temporally evolving facts adequately. However, existing TKG approaches still face two main challenges, i.e., the limited capability to model arbitrary timestamps continuously and the lack of rich inference patterns under temporal constraints. In this paper, we propose an innovative TKGE method (PTBox) via polynomial decomposition-based temporal representation and box embedding-based entity representation to tackle the above-mentioned problems. Specifically, we decompose time information by polynomials and then enhance the model's capability to represent arbitrary timestamps flexibly by incorporating the learnable temporal basis tensor. In addition, we model every entity as a hyperrectangle box and define each relation as a transformation on the head and tail entity boxes. The entity boxes can capture complex geometric structures and learn robust representations, improving the model's inductive capability for rich inference patterns. Theoretically, our PTBox can encode arbitrary time information or even unseen timestamps while capturing rich inference patterns and higher-arity relations of the knowledge base. Extensive experiments on real-world datasets demonstrate the effectiveness of our method.