arXiv subjects

Shirui Pan

Publications and source records attributed to Shirui Pan.

At least 181 records · Page 10Linked to original sources

arXiv2024

ROG$_{PL}$: Robust Open-Set Graph Learning via Region-Based Prototype Learning

Open-set graph learning is a practical task that aims to classify the known class nodes and to identify unknown class samples as unknowns. Conventional node classification methods usually perform unsatisfactorily in open-set scenarios due to the complex data they encounter, such as out-of-distribution (OOD) data and in-distribution (IND) noise. OOD data are samples that do not belong to any known classes. They are outliers if they occur in training (OOD noise), and open-set samples if they occur in testing. IND noise are training samples which are assigned incorrect labels. The existence of IND noise and OOD noise is prevalent, which usually cause the ambiguity problem, including the intra-class variety problem and the inter-class confusion problem. Thus, to explore robust open-set learning methods is necessary and difficult, and it becomes even more difficult for non-IID graph data.To this end, we propose a unified framework named ROG$_{PL}$ to achieve robust open-set learning on complex noisy graph data, by introducing prototype learning. In specific, ROG$_{PL}$ consists of two modules, i.e., denoising via label propagation and open-set prototype learning via regions. The first module corrects noisy labels through similarity-based label propagation and removes low-confidence samples, to solve the intra-class variety problem caused by noise. The second module learns open-set prototypes for each known class via non-overlapped regions and remains both interior and border prototypes to remedy the inter-class confusion problem.The two modules are iteratively updated under the constraints of classification loss and prototype diversity loss. To the best of our knowledge, the proposed ROG$_{PL}$ is the first robust open-set node classification method for graph data with complex noise.

cs.LG↗

arXiv2024

Reasoning on Graphs: Faithful and Interpretable Large Language Model Reasoning

Large language models (LLMs) have demonstrated impressive reasoning abilities in complex tasks. However, they lack up-to-date knowledge and experience hallucinations during reasoning, which can lead to incorrect reasoning processes and diminish their performance and trustworthiness. Knowledge graphs (KGs), which capture vast amounts of facts in a structured format, offer a reliable source of knowledge for reasoning. Nevertheless, existing KG-based LLM reasoning methods only treat KGs as factual knowledge bases and overlook the importance of their structural information for reasoning. In this paper, we propose a novel method called reasoning on graphs (RoG) that synergizes LLMs with KGs to enable faithful and interpretable reasoning. Specifically, we present a planning-retrieval-reasoning framework, where RoG first generates relation paths grounded by KGs as faithful plans. These plans are then used to retrieve valid reasoning paths from the KGs for LLMs to conduct faithful reasoning. Furthermore, RoG not only distills knowledge from KGs to improve the reasoning ability of LLMs through training but also allows seamless integration with any arbitrary LLMs during inference. Extensive experiments on two benchmark KGQA datasets demonstrate that RoG achieves state-of-the-art performance on KG reasoning tasks and generates faithful and interpretable reasoning results.

cs.CL↗

arXiv2024

Trustworthy Graph Neural Networks: Aspects, Methods and Trends

Graph neural networks (GNNs) have emerged as a series of competent graph learning methods for diverse real-world scenarios, ranging from daily applications like recommendation systems and question answering to cutting-edge technologies such as drug discovery in life sciences and n-body simulation in astrophysics. However, task performance is not the only requirement for GNNs. Performance-oriented GNNs have exhibited potential adverse effects like vulnerability to adversarial attacks, unexplainable discrimination against disadvantaged groups, or excessive resource consumption in edge computing environments. To avoid these unintentional harms, it is necessary to build competent GNNs characterised by trustworthiness. To this end, we propose a comprehensive roadmap to build trustworthy GNNs from the view of the various computing technologies involved. In this survey, we introduce basic concepts and comprehensively summarise existing efforts for trustworthy GNNs from six aspects, including robustness, explainability, privacy, fairness, accountability, and environmental well-being. Additionally, we highlight the intricate cross-aspect relations between the above six aspects of trustworthy GNNs. Finally, we present a thorough overview of trending directions for facilitating the research and industrialisation of trustworthy GNNs.

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arXiv2024

Continual Learning for Large Language Models: A Survey

Large language models (LLMs) are not amenable to frequent re-training, due to high training costs arising from their massive scale. However, updates are necessary to endow LLMs with new skills and keep them up-to-date with rapidly evolving human knowledge. This paper surveys recent works on continual learning for LLMs. Due to the unique nature of LLMs, we catalog continue learning techniques in a novel multi-staged categorization scheme, involving continual pretraining, instruction tuning, and alignment. We contrast continual learning for LLMs with simpler adaptation methods used in smaller models, as well as with other enhancement strategies like retrieval-augmented generation and model editing. Moreover, informed by a discussion of benchmarks and evaluation, we identify several challenges and future work directions for this crucial task.

cs.CL↗

arXiv2024

Two Heads Are Better Than One: Boosting Graph Sparse Training via Semantic and Topological Awareness

Graph Neural Networks (GNNs) excel in various graph learning tasks but face computational challenges when applied to large-scale graphs. A promising solution is to remove non-essential edges to reduce the computational overheads in GNN. Previous literature generally falls into two categories: topology-guided and semantic-guided. The former maintains certain graph topological properties yet often underperforms on GNNs due to low integration with neural network training. The latter performs well at lower sparsity on GNNs but faces performance collapse at higher sparsity levels. With this in mind, we take the first step to propose a new research line and concept termed Graph Sparse Training (GST), which dynamically manipulates sparsity at the data level. Specifically, GST initially constructs a topology & semantic anchor at a low training cost, followed by performing dynamic sparse training to align the sparse graph with the anchor. We introduce the Equilibria Sparsification Principle to guide this process, effectively balancing the preservation of both topological and semantic information. Ultimately, GST produces a sparse graph with maximum topological integrity and no performance degradation. Extensive experiments on 6 datasets and 5 backbones showcase that GST (I) identifies subgraphs at higher graph sparsity levels (1.67%~15.85% $\uparrow$) than state-of-the-art sparsification methods, (II) preserves more key spectral properties, (III) achieves 1.27-3.42$\times$ speedup in GNN inference and (IV) successfully helps graph adversarial defense and graph lottery tickets.

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arXiv2024

Time-LLM: Time Series Forecasting by Reprogramming Large Language Models

Time series forecasting holds significant importance in many real-world dynamic systems and has been extensively studied. Unlike natural language process (NLP) and computer vision (CV), where a single large model can tackle multiple tasks, models for time series forecasting are often specialized, necessitating distinct designs for different tasks and applications. While pre-trained foundation models have made impressive strides in NLP and CV, their development in time series domains has been constrained by data sparsity. Recent studies have revealed that large language models (LLMs) possess robust pattern recognition and reasoning abilities over complex sequences of tokens. However, the challenge remains in effectively aligning the modalities of time series data and natural language to leverage these capabilities. In this work, we present Time-LLM, a reprogramming framework to repurpose LLMs for general time series forecasting with the backbone language models kept intact. We begin by reprogramming the input time series with text prototypes before feeding it into the frozen LLM to align the two modalities. To augment the LLM's ability to reason with time series data, we propose Prompt-as-Prefix (PaP), which enriches the input context and directs the transformation of reprogrammed input patches. The transformed time series patches from the LLM are finally projected to obtain the forecasts. Our comprehensive evaluations demonstrate that Time-LLM is a powerful time series learner that outperforms state-of-the-art, specialized forecasting models. Moreover, Time-LLM excels in both few-shot and zero-shot learning scenarios.

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arXiv2024

Unifying Large Language Models and Knowledge Graphs: A Roadmap

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 evolving 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; and 3) 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.

cs.CL↗

arXiv2024

ChatRule: Mining Logical Rules with Large Language Models for Knowledge Graph Reasoning

Logical rules are essential for uncovering the logical connections between relations, which could improve reasoning performance and provide interpretable results on knowledge graphs (KGs). Although there have been many efforts to mine meaningful logical rules over KGs, existing methods suffer from computationally intensive searches over the rule space and a lack of scalability for large-scale KGs. Besides, they often ignore the semantics of relations which is crucial for uncovering logical connections. Recently, large language models (LLMs) have shown impressive performance in the field of natural language processing and various applications, owing to their emergent ability and generalizability. In this paper, we propose a novel framework, ChatRule, unleashing the power of large language models for mining logical rules over knowledge graphs. Specifically, the framework is initiated with an LLM-based rule generator, leveraging both the semantic and structural information of KGs to prompt LLMs to generate logical rules. To refine the generated rules, a rule ranking module estimates the rule quality by incorporating facts from existing KGs. Last, the ranked rules can be used to conduct reasoning over KGs. ChatRule is evaluated on four large-scale KGs, w.r.t. different rule quality metrics and downstream tasks, showing the effectiveness and scalability of our method.

cs.AI↗

arXiv2024

Graph Spatiotemporal Process for Multivariate Time Series Anomaly Detection with Missing Values

The detection of anomalies in multivariate time series data is crucial for various practical applications, including smart power grids, traffic flow forecasting, and industrial process control. However, real-world time series data is usually not well-structured, posting significant challenges to existing approaches: (1) The existence of missing values in multivariate time series data along variable and time dimensions hinders the effective modeling of interwoven spatial and temporal dependencies, resulting in important patterns being overlooked during model training; (2) Anomaly scoring with irregularly-sampled observations is less explored, making it difficult to use existing detectors for multivariate series without fully-observed values. In this work, we introduce a novel framework called GST-Pro, which utilizes a graph spatiotemporal process and anomaly scorer to tackle the aforementioned challenges in detecting anomalies on irregularly-sampled multivariate time series. Our approach comprises two main components. First, we propose a graph spatiotemporal process based on neural controlled differential equations. This process enables effective modeling of multivariate time series from both spatial and temporal perspectives, even when the data contains missing values. Second, we present a novel distribution-based anomaly scoring mechanism that alleviates the reliance on complete uniform observations. By analyzing the predictions of the graph spatiotemporal process, our approach allows anomalies to be easily detected. Our experimental results show that the GST-Pro method can effectively detect anomalies in time series data and outperforms state-of-the-art methods, regardless of whether there are missing values present in the data. Our code is available: https://github.com/huankoh/GST-Pro.

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arXiv2024

GOODAT: Towards Test-time Graph Out-of-Distribution Detection

Graph neural networks (GNNs) have found widespread application in modeling graph data across diverse domains. While GNNs excel in scenarios where the testing data shares the distribution of their training counterparts (in distribution, ID), they often exhibit incorrect predictions when confronted with samples from an unfamiliar distribution (out-of-distribution, OOD). To identify and reject OOD samples with GNNs, recent studies have explored graph OOD detection, often focusing on training a specific model or modifying the data on top of a well-trained GNN. Despite their effectiveness, these methods come with heavy training resources and costs, as they need to optimize the GNN-based models on training data. Moreover, their reliance on modifying the original GNNs and accessing training data further restricts their universality. To this end, this paper introduces a method to detect Graph Out-of-Distribution At Test-time (namely GOODAT), a data-centric, unsupervised, and plug-and-play solution that operates independently of training data and modifications of GNN architecture. With a lightweight graph masker, GOODAT can learn informative subgraphs from test samples, enabling the capture of distinct graph patterns between OOD and ID samples. To optimize the graph masker, we meticulously design three unsupervised objective functions based on the graph information bottleneck principle, motivating the masker to capture compact yet informative subgraphs for OOD detection. Comprehensive evaluations confirm that our GOODAT method outperforms state-of-the-art benchmarks across a variety of real-world datasets. The code is available at Github: https://github.com/Ee1s/GOODAT

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arXiv2023

NestE: Modeling Nested Relational Structures for Knowledge Graph Reasoning

Reasoning with knowledge graphs (KGs) has primarily focused on triple-shaped facts. Recent advancements have been explored to enhance the semantics of these facts by incorporating more potent representations, such as hyper-relational facts. However, these approaches are limited to \emph{atomic facts}, which describe a single piece of information. This paper extends beyond \emph{atomic facts} and delves into \emph{nested facts}, represented by quoted triples where subjects and objects are triples themselves (e.g., ((\emph{BarackObama}, \emph{holds\_position}, \emph{President}), \emph{succeed\_by}, (\emph{DonaldTrump}, \emph{holds\_position}, \emph{President}))). These nested facts enable the expression of complex semantics like \emph{situations} over time and \emph{logical patterns} over entities and relations. In response, we introduce NestE, a novel KG embedding approach that captures the semantics of both atomic and nested factual knowledge. NestE represents each atomic fact as a $1\times3$ matrix, and each nested relation is modeled as a $3\times3$ matrix that rotates the $1\times3$ atomic fact matrix through matrix multiplication. Each element of the matrix is represented as a complex number in the generalized 4D hypercomplex space, including (spherical) quaternions, hyperbolic quaternions, and split-quaternions. Through thorough analysis, we demonstrate the embedding's efficacy in capturing diverse logical patterns over nested facts, surpassing the confines of first-order logic-like expressions. Our experimental results showcase NestE's significant performance gains over current baselines in triple prediction and conditional link prediction. The code and pre-trained models are open available at https://github.com/xiongbo010/NestE.

cs.AI↗

arXiv2023

GraphGuard: Detecting and Counteracting Training Data Misuse in Graph Neural Networks

The emergence of Graph Neural Networks (GNNs) in graph data analysis and their deployment on Machine Learning as a Service platforms have raised critical concerns about data misuse during model training. This situation is further exacerbated due to the lack of transparency in local training processes, potentially leading to the unauthorized accumulation of large volumes of graph data, thereby infringing on the intellectual property rights of data owners. Existing methodologies often address either data misuse detection or mitigation, and are primarily designed for local GNN models rather than cloud-based MLaaS platforms. These limitations call for an effective and comprehensive solution that detects and mitigates data misuse without requiring exact training data while respecting the proprietary nature of such data. This paper introduces a pioneering approach called GraphGuard, to tackle these challenges. We propose a training-data-free method that not only detects graph data misuse but also mitigates its impact via targeted unlearning, all without relying on the original training data. Our innovative misuse detection technique employs membership inference with radioactive data, enhancing the distinguishability between member and non-member data distributions. For mitigation, we utilize synthetic graphs that emulate the characteristics previously learned by the target model, enabling effective unlearning even in the absence of exact graph data. We conduct comprehensive experiments utilizing four real-world graph datasets to demonstrate the efficacy of GraphGuard in both detection and unlearning. We show that GraphGuard attains a near-perfect detection rate of approximately 100% across these datasets with various GNN models. In addition, it performs unlearning by eliminating the impact of the unlearned graph with a marginal decrease in accuracy (less than 5%).

cs.LG↗

arXiv2023

Securing Graph Neural Networks in MLaaS: A Comprehensive Realization of Query-based Integrity Verification

The deployment of Graph Neural Networks (GNNs) within Machine Learning as a Service (MLaaS) has opened up new attack surfaces and an escalation in security concerns regarding model-centric attacks. These attacks can directly manipulate the GNN model parameters during serving, causing incorrect predictions and posing substantial threats to essential GNN applications. Traditional integrity verification methods falter in this context due to the limitations imposed by MLaaS and the distinct characteristics of GNN models. In this research, we introduce a groundbreaking approach to protect GNN models in MLaaS from model-centric attacks. Our approach includes a comprehensive verification schema for GNN's integrity, taking into account both transductive and inductive GNNs, and accommodating varying pre-deployment knowledge of the models. We propose a query-based verification technique, fortified with innovative node fingerprint generation algorithms. To deal with advanced attackers who know our mechanisms in advance, we introduce randomized fingerprint nodes within our design. The experimental evaluation demonstrates that our method can detect five representative adversarial model-centric attacks, displaying 2 to 4 times greater efficiency compared to baselines.

cs.CR↗

arXiv2023

A Comprehensive Survey on Distributed Training of Graph Neural Networks

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. At present, the volume of related research on distributed GNN training is exceptionally vast, accompanied by an extraordinarily rapid pace of publication. Moreover, the approaches reported in these studies exhibit significant divergence. This situation poses a considerable challenge for newcomers, hindering their ability to grasp a comprehensive understanding of the workflows, computational patterns, communication strategies, and optimization techniques employed in distributed GNN training. As a result, there is a pressing need for a survey to provide correct recognition, analysis, and comparisons in this field. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.

cs.DC↗

arXiv2023

A Minimal Approach for Natural Language Action Space in Text-based Games

Text-based games (TGs) are language-based interactive environments for reinforcement learning. While language models (LMs) and knowledge graphs (KGs) are commonly used for handling large action space in TGs, it is unclear whether these techniques are necessary or overused. In this paper, we revisit the challenge of exploring the action space in TGs and propose $ ε$-admissible exploration, a minimal approach of utilizing admissible actions, for training phase. Additionally, we present a text-based actor-critic (TAC) agent that produces textual commands for game, solely from game observations, without requiring any KG or LM. Our method, on average across 10 games from Jericho, outperforms strong baselines and state-of-the-art agents that use LM and KG. Our approach highlights that a much lighter model design, with a fresh perspective on utilizing the information within the environments, suffices for an effective exploration of exponentially large action spaces.

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arXiv2023

PREM: A Simple Yet Effective Approach for Node-Level Graph Anomaly Detection

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, through rigorous evaluations of five real-world datasets, our method demonstrated robustness and effectiveness. 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.

cs.LG↗

arXiv2023

Correlation-aware Spatial-Temporal Graph Learning for Multivariate Time-series Anomaly Detection

Multivariate time-series anomaly detection is critically important in many applications, including retail, transportation, power grid, and water treatment plants. Existing approaches for this problem mostly employ either statistical models which cannot capture the non-linear relations well or conventional deep learning models (e.g., CNN and LSTM) that do not explicitly learn the pairwise correlations among variables. To overcome these limitations, we propose a novel method, correlation-aware spatial-temporal graph learning (termed CST-GL), for time series anomaly detection. CST-GL explicitly captures the pairwise correlations via a multivariate time series correlation learning module based on which a spatial-temporal graph neural network (STGNN) can be developed. Then, by employing a graph convolution network that exploits one- and multi-hop neighbor information, our STGNN component can encode rich spatial information from complex pairwise dependencies between variables. With a temporal module that consists of dilated convolutional functions, the STGNN can further capture long-range dependence over time. A novel anomaly scoring component is further integrated into CST-GL to estimate the degree of an anomaly in a purely unsupervised manner. Experimental results demonstrate that CST-GL can detect anomalies effectively in general settings as well as enable early detection across different time delays.

cs.LG↗

arXiv2023

GNNEvaluator: Evaluating GNN Performance On Unseen Graphs Without Labels

Evaluating the performance of graph neural networks (GNNs) is an essential task for practical GNN model deployment and serving, as deployed GNNs face significant performance uncertainty when inferring on unseen and unlabeled test graphs, due to mismatched training-test graph distributions. In this paper, we study a new problem, GNN model evaluation, that aims to assess the performance of a specific GNN model trained on labeled and observed graphs, by precisely estimating its performance (e.g., node classification accuracy) on unseen graphs without labels. Concretely, we propose a two-stage GNN model evaluation framework, including (1) DiscGraph set construction and (2) GNNEvaluator training and inference. The DiscGraph set captures wide-range and diverse graph data distribution discrepancies through a discrepancy measurement function, which exploits the outputs of GNNs related to latent node embeddings and node class predictions. Under the effective training supervision from the DiscGraph set, GNNEvaluator learns to precisely estimate node classification accuracy of the to-be-evaluated GNN model and makes an accurate inference for evaluating GNN model performance. Extensive experiments on real-world unseen and unlabeled test graphs demonstrate the effectiveness of our proposed method for GNN model evaluation.

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