Dynamic graphs exhibit intertwined spatio-temporal evolutionary patterns, widely existing in the real world. Nevertheless, the structure incompleteness, noise, and redundancy result in poor robustness for Dynamic Graph Neural Networks (DGNNs). Dynamic Graph Structure Learning (DGSL) offers a promising way to optimize graph structures. However, aside from encountering unacceptable quadratic complexity, it overly relies on heuristic priors, making it hard to discover underlying predictive patterns. How to efficiently refine the dynamic structures, capture intrinsic dependencies, and learn robust representations, remains under-explored. In this work, we propose the novel DG-Mamba, a robust and efficient Dynamic Graph structure learning framework with the Selective State Space Models (Mamba). To accelerate the spatio-temporal structure learning, we propose a kernelized dynamic message-passing operator that reduces the quadratic time complexity to linear. To capture global intrinsic dynamics, we establish the dynamic graph as a self-contained system with State Space Model. By discretizing the system states with the cross-snapshot graph adjacency, we enable the long-distance dependencies capturing with the selective snapshot scan. To endow learned dynamic structures more expressive with informativeness, we propose the self-supervised Principle of Relevant Information for DGSL to regularize the most relevant yet least redundant information, enhancing global robustness. Extensive experiments demonstrate the superiority of the robustness and efficiency of our DG-Mamba compared with the state-of-the-art baselines against adversarial attacks.
AI becomes increasingly vital for telecom industry, as the burgeoning complexity of upcoming mobile communication networks places immense pressure on network operators. While there is a growing consensus that intelligent network self-driving holds the key, it heavily relies on expert experience and knowledge extracted from network data. In an effort to facilitate convenient analytics and utilization of wireless big data, we introduce the concept of knowledge graphs into the field of mobile networks, giving rise to what we term as wireless data knowledge graphs (WDKGs). However, the heterogeneous and dynamic nature of communication networks renders manual WDKG construction both prohibitively costly and error-prone, presenting a fundamental challenge. In this context, we propose an unsupervised data-and-model driven graph structure learning (DMGSL) framework, aimed at automating WDKG refinement and updating. Tackling WDKG heterogeneity involves stratifying the network into homogeneous layers and refining it at a finer granularity. Furthermore, to capture WDKG dynamics effectively, we segment the network into static snapshots based on the coherence time and harness the power of recurrent neural networks to incorporate historical information. Extensive experiments conducted on the established WDKG demonstrate the superiority of the DMGSL over the baselines, particularly in terms of node classification accuracy.
Currently, most Graph Structure Learning (GSL) methods, as a means of learning graph structure, improve the robustness of GNN merely from a local view by considering the local information related to each edge and indiscriminately applying the mechanism across edges, which may suffer from the local structure heterogeneity of the graph (\ie the uneven distribution of inter-class connections over nodes). To overcome the cons, we extract the graph structure as a learnable parameter and jointly learn the structure and common parameters of GNN from the global view. Excitingly, the common parameters contain the global information for nodes features mapping, which is also crucial for structure optimization (\ie optimizing the structure relies on global mapping information). Mathematically, we apply a generic structure extractor to abstract the graph structure and transform GNNs in the form of learning structure and common parameters. Then, we model the learning process as a novel bi-level optimization, \ie \textit{Generic Structure Extraction with Bi-level Optimization for Graph Structure Learning (GSEBO)}, which optimizes GNN parameters in the upper level to obtain the global mapping information and graph structure is optimized in the lower level with the global information learned from the upper level. We instantiate the proposed GSEBO on classical GNNs and compare it with the state-of-the-art GSL methods. Extensive experiments validate the effectiveness of the proposed GSEBO on four real-world datasets.
To improve the performance of Graph Neural Networks (GNNs), Graph Structure Learning (GSL) has been extensively applied to reconstruct or refine original graph structures, effectively addressing issues like heterophily, over-squashing, and noisy structures. While GSL is generally thought to improve GNN performance, it often leads to longer training times and more hyperparameter tuning. Besides, the distinctions among current GSL methods remain ambiguous from the perspective of GNN training, and there is a lack of theoretical analysis to quantify their effectiveness. Recent studies further suggest that, under fair comparisons with the same hyperparameter tuning, GSL does not consistently outperform baseline GNNs. This motivates us to ask a critical question: is GSL really useful for GNNs? To address this question, this paper makes two key contributions. First, we propose a new GSL framework, which includes three steps: GSL base (the representation used for GSL) construction, new structure construction, and view fusion, to better understand the effectiveness of GSL in GNNs. Second, after graph convolution, we analyze the differences in mutual information (MI) between node representations derived from the original topology and those from the newly constructed topology. Surprisingly, our empirical observations and theoretical analysis show that no matter which type of graph structure construction methods are used, after feeding the same GSL bases to the newly constructed graph, there is no MI gain compared to the original GSL bases. To fairly reassess the effectiveness of GSL, we conduct ablation experiments and find that it is the pretrained GSL bases that enhance GNN performance, and in most cases, GSL cannot improve GNN performance. This finding encourages us to rethink the essential components in GNNs, such as self-training and structural encoding, in GNN design rather than GSL.
Graph neural networks (GNNs) are prominent for their effectiveness in processing graph data for semi-supervised node classification tasks. Most works of GNNs assume that the observed structure accurately represents the underlying node relationships. However, the graph structure is inevitably noisy or incomplete in reality, which can degrade the quality of graph representations. Therefore, it is imperative to learn a clean graph structure that balances performance and robustness. In this paper, we propose a novel method named \textit{Global-augmented Graph Structure Learning} (GaGSL), guided by the Graph Information Bottleneck (GIB) principle. The key idea behind GaGSL is to learn a compact and informative graph structure for node classification tasks. Specifically, to mitigate the bias caused by relying solely on the original structure, we first obtain augmented features and augmented structure through global feature augmentation and global structure augmentation. We then input the augmented features and augmented structure into a structure estimator with different parameters for optimization and re-definition of the graph structure, respectively. The redefined structures are combined to form the final graph structure. Finally, we employ GIB based on mutual information to guide the optimization of the graph structure to obtain the minimum sufficient graph structure. Comprehensive evaluations across a range of datasets reveal the outstanding performance and robustness of GaGSL compared with the state-of-the-art methods.
Next point-of-interest (POI) recommendation aims to predict a user's next destination based on sequential check-in history and a set of POI candidates. Graph neural networks (GNNs) have demonstrated a remarkable capability in this endeavor by exploiting the extensive global collaborative signals present among POIs. However, most of the existing graph-based approaches construct graph structures based on pre-defined heuristics, failing to consider inherent hierarchical structures of POI features such as geographical locations and visiting peaks, or suffering from noisy and incomplete structures in graphs. To address the aforementioned issues, this paper presents a novel Bi-level Graph Structure Learning (BiGSL) for next POI recommendation. BiGSL first learns a hierarchical graph structure to capture the fine-to-coarse connectivity between POIs and prototypes, and then uses a pairwise learning module to dynamically infer relationships between POI pairs and prototype pairs. Based on the learned bi-level graphs, our model then employs a multi-relational graph network that considers both POI- and prototype-level neighbors, resulting in improved POI representations. Our bi-level structure learning scheme is more robust to data noise and incompleteness, and improves the exploration ability for recommendation by alleviating sparsity issues. Experimental results on three real-world datasets demonstrate the superiority of our model over existing state-of-the-art methods, with a significant improvement in recommendation accuracy and exploration performance.
Multivariate time series anomaly detection technology plays an important role in many fields including aerospace, water treatment, cloud service providers, etc. Excellent anomaly detection models can greatly improve work efficiency and avoid major economic losses. However, with the development of technology, the increasing size and complexity of data, and the lack of labels for relevant abnormal data, it is becoming increasingly challenging to perform effective and accurate anomaly detection in high-dimensional and complex data sets. In this paper, we propose a hypergraph based spatiotemporal graph convolutional neural network model STGCN_Hyper, which explicitly captures high-order, multi-hop correlations between multiple variables through a hypergraph based dynamic graph structure learning module. On this basis, we further use the hypergraph based spatiotemporal graph convolutional network to utilize the learned hypergraph structure to effectively propagate and aggregate one-hop and multi-hop related node information in the convolutional network, thereby obtaining rich spatial information. Furthermore, through the multi-scale TCN dilated convolution module, the STGCN_hyper model can also capture the dependencies of features at different scales in the temporal dimension. An unsupervised anomaly detector based on PCA and GMM is also integrated into the STGCN_hyper model. Through the anomaly score of the detector, the model can detect the anomalies in an unsupervised way. Experimental results on multiple time series datasets show that our model can flexibly learn the multi-scale time series features in the data and the dependencies between features, and outperforms most existing baseline models in terms of precision, recall, F1-score on anomaly detection tasks. Our code is available on: https://git.ecdf.ed.ac.uk/msc-23-24/s2044819
Graph representation learning, involving both node features and graph structures, is crucial for real-world applications but often encounters pervasive noise. State-of-the-art methods typically address noise by focusing separately on node features with large language models (LLMs) and on graph structures with graph structure learning models (GSLMs). In this paper, we introduce LangGSL, a robust framework that integrates the complementary strengths of pre-trained language models and GSLMs to jointly enhance both node feature and graph structure learning. In LangGSL, we first leverage LLMs to filter noise in the raw data and extract valuable cleaned information as features, enhancing the synergy of downstream models. During the mutual learning phase in LangGSL, the core idea is to leverage the relatively small language model (LM) to process local attributes and generate reliable pseudo-labels and informative node embeddings, which are then integrated into the GSLM's prediction phase. This approach enriches the global context and enhances overall performance. Meanwhile, GSLM refines the evolving graph structure constructed from the LM's output, offering updated labels back to the LM as additional guidance, thus facilitating a more effective mutual learning process. The LM and GSLM work synergistically, complementing each other's strengths and offsetting weaknesses within a variational information-maximizing framework, resulting in enhanced node features and a more robust graph structure. Extensive experiments on diverse graph datasets of varying scales and across different task scenarios demonstrate the scalability and effectiveness of the proposed approach.
Unsupervised Multiplex Graph Learning (UMGL) aims to learn node representations on various edge types without manual labeling. However, existing research overlooks a key factor: the reliability of the graph structure. Real-world data often exhibit a complex nature and contain abundant task-irrelevant noise, severely compromising UMGL's performance. Moreover, existing methods primarily rely on contrastive learning to maximize mutual information across different graphs, limiting them to multiplex graph redundant scenarios and failing to capture view-unique task-relevant information. In this paper, we focus on a more realistic and challenging task: to unsupervisedly learn a fused graph from multiple graphs that preserve sufficient task-relevant information while removing task-irrelevant noise. Specifically, our proposed Information-aware Unsupervised Multiplex Graph Fusion framework (InfoMGF) uses graph structure refinement to eliminate irrelevant noise and simultaneously maximizes view-shared and view-unique task-relevant information, thereby tackling the frontier of non-redundant multiplex graph. Theoretical analyses further guarantee the effectiveness of InfoMGF. Comprehensive experiments against various baselines on different downstream tasks demonstrate its superior performance and robustness. Surprisingly, our unsupervised method even beats the sophisticated supervised approaches. The source code and datasets are available at https://github.com/zxlearningdeep/InfoMGF.
Graph Neural Networks (GNNs) have recently achieved significant success, with a key operation involving the aggregation of information from neighboring nodes. Substantial researchers have focused on defining neighbors for aggregation, predominantly based on observed adjacency matrices. However, in many scenarios, the explicitly given graphs contain noise, which can be amplified during the messages-passing process. Therefore, many researchers have turned their attention to latent graph inference, specifically learning a parametric graph. To mitigate fluctuations in latent graph structure learning, this paper proposes a novel Boolean product-based graph residual connection in GNNs to link the latent graph and the original graph. It computes the Boolean product between the latent graph and the original graph at each layer to correct the learning process. The Boolean product between two adjacency matrices is equivalent to triangle detection. Accordingly, the proposed Boolean product graph neural networks can be interpreted as discovering triangular cliques from the original and the latent graph. We validate the proposed method in benchmark datasets and demonstrate its ability to enhance the performance and robustness of GNNs.
Graph signal processing deals with algorithms and signal representations that leverage graph structures for multivariate data analysis. Often said graph topology is not readily available and may be time-varying, hence (dynamic) graph structure learning from nodal (e.g., sensor) observations becomes a critical first step. In this paper, we develop a novel algorithm for online graph learning using observation streams, assumed to be smooth on the latent graph. Unlike batch algorithms for topology identification from smooth signals, our modus operandi is to process graph signals sequentially and thus keep memory and computational costs in check. To solve the resulting smoothness-regularized, time-varying inverse problem, we develop online and lightweight iterations built upon the proximal variant of the alternating direction method of multipliers (ADMM), well known for its fast convergence in batch settings. The proximal term in the topology updates seamlessly implements a temporal-variation regularization, and we argue the online procedure exhibits sublinear static regret under some simplifying assumptions. Reproducible experiments with synthetic and real graphs demonstrate the effectiveness of our method in adapting to streaming signals and tracking slowly-varying network connectivity. The proposed approach also exhibits better tracking performance (in terms of suboptimality), when compared to state-of-the-art online graph learning baselines.
Parkinson's disease (PD) is a debilitating neurodegenerative disease that has severe impacts on an individual's quality of life. Compared with structural and functional MRI-based biomarkers for the disease, electroencephalography (EEG) can provide more accessible alternatives for clinical insights. While deep learning (DL) techniques have provided excellent outcomes, many techniques fail to model spatial information and dynamic brain connectivity, and face challenges in robust feature learning, limited data sizes, and poor explainability. To address these issues, we proposed a novel graph neural network (GNN) technique for explainable PD detection using resting state EEG. Specifically, we employ structured global convolutions with contrastive learning to better model complex features with limited data, a novel multi-head graph structure learner to capture the non-Euclidean structure of EEG data, and a head-wise gradient-weighted graph attention explainer to offer neural connectivity insights. We developed and evaluated our method using the UC San Diego Parkinson's disease EEG dataset, and achieved 69.40% detection accuracy in subject-wise leave-one-out cross-validation while generating intuitive explanations for the learnt graph topology.
Graph Structure Learning (GSL) has recently garnered considerable attention due to its ability to optimize both the parameters of Graph Neural Networks (GNNs) and the computation graph structure simultaneously. Despite the proliferation of GSL methods developed in recent years, there is no standard experimental setting or fair comparison for performance evaluation, which creates a great obstacle to understanding the progress in this field. To fill this gap, we systematically analyze the performance of GSL in different scenarios and develop a comprehensive Graph Structure Learning Benchmark (GSLB) curated from 20 diverse graph datasets and 16 distinct GSL algorithms. Specifically, GSLB systematically investigates the characteristics of GSL in terms of three dimensions: effectiveness, robustness, and complexity. We comprehensively evaluate state-of-the-art GSL algorithms in node- and graph-level tasks, and analyze their performance in robust learning and model complexity. Further, to facilitate reproducible research, we have developed an easy-to-use library for training, evaluating, and visualizing different GSL methods. Empirical results of our extensive experiments demonstrate the ability of GSL and reveal its potential benefits on various downstream tasks, offering insights and opportunities for future research. The code of GSLB is available at: https://github.com/GSL-Benchmark/GSLB.
Efficient extraction of spectral sequences and geospatial information has always been a hot topic in hyperspectral image classification. In terms of spectral sequence feature capture, RNN and Transformer have become mainstream classification frameworks due to their long-range feature capture capabilities. In terms of spatial information aggregation, CNN enhances the receptive field to retain integrated spatial information as much as possible. However, the spectral feature-capturing architectures exhibit low computational efficiency, and CNNs lack the flexibility to perceive spatial contextual information. To address these issues, this paper proposes GraphMamba--an efficient graph structure learning vision Mamba classification framework that fully considers HSI characteristics to achieve deep spatial-spectral information mining. Specifically, we propose a novel hyperspectral visual GraphMamba processing paradigm (HVGM) that preserves spatial-spectral features by constructing spatial-spectral cubes and utilizes linear spectral encoding to enhance the operability of subsequent tasks. The core components of GraphMamba include the HyperMamba module for improving computational efficiency and the SpectralGCN module for adaptive spatial context awareness. The HyperMamba mitigates clutter interference by employing the global mask (GM) and introduces a parallel training inference architecture to alleviate computational bottlenecks. The SpatialGCN incorporates weighted multi-hop aggregation (WMA) spatial encoding to focus on highly correlated spatial structural features, thus flexibly aggregating contextual information while mitigating spatial noise interference. Extensive experiments were conducted on three different scales of real HSI datasets, and compared with the state-of-the-art classification frameworks, GraphMamba achieved optimal performance.
We present MST-MIXER - a novel video dialog model operating over a generic multi-modal state tracking scheme. Current models that claim to perform multi-modal state tracking fall short of two major aspects: (1) They either track only one modality (mostly the visual input) or (2) they target synthetic datasets that do not reflect the complexity of real-world in the wild scenarios. Our model addresses these two limitations in an attempt to close this crucial research gap. Specifically, MST-MIXER first tracks the most important constituents of each input modality. Then, it predicts the missing underlying structure of the selected constituents of each modality by learning local latent graphs using a novel multi-modal graph structure learning method. Subsequently, the learned local graphs and features are parsed together to form a global graph operating on the mix of all modalities which further refines its structure and node embeddings. Finally, the fine-grained graph node features are used to enhance the hidden states of the backbone Vision-Language Model (VLM). MST-MIXER achieves new state-of-the-art results on five challenging benchmarks.
Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse problem with a smoothness promoting objective and rely on iterative methods to obtain a solution. In supervised settings where graph labels are available, one can unroll and truncate these iterations into a deep network that is trained end-to-end. Such a network is parameter efficient and inherits inductive bias from the optimization formulation, an appealing aspect for data constrained settings in, e.g., medicine, finance, and the natural sciences. But typically such settings care equally about uncertainty over edge predictions, not just point estimates. Here we introduce novel iterations with independently interpretable parameters, i.e., parameters whose values - independent of other parameters' settings - proportionally influence characteristics of the estimated graph, such as edge sparsity. After unrolling these iterations, prior knowledge over such graph characteristics shape prior distributions over these independently interpretable network parameters to yield a Bayesian neural network (BNN) capable of graph structure learning (GSL) from smooth signal observations. Fast execution and parameter efficiency allow for high-fidelity posterior approximation via Markov Chain Monte Carlo (MCMC) and thus uncertainty quantification on edge predictions. Synthetic and real data experiments corroborate this model's ability to provide well-calibrated estimates of uncertainty, in test cases that include unveiling economic sector modular structure from S$\&$P$500$ data and recovering pairwise digit similarities from MNIST images. Overall, this framework enables GSL in modest-scale applications where uncertainty on the data structure is paramount.
Histopathological analysis of Whole Slide Images (WSIs) has seen a surge in the utilization of deep learning methods, particularly Convolutional Neural Networks (CNNs). However, CNNs often fall short in capturing the intricate spatial dependencies inherent in WSIs. Graph Neural Networks (GNNs) present a promising alternative, adept at directly modeling pairwise interactions and effectively discerning the topological tissue and cellular structures within WSIs. Recognizing the pressing need for deep learning techniques that harness the topological structure of WSIs, the application of GNNs in histopathology has experienced rapid growth. In this comprehensive review, we survey GNNs in histopathology, discuss their applications, and explore emerging trends that pave the way for future advancements in the field. We begin by elucidating the fundamentals of GNNs and their potential applications in histopathology. Leveraging quantitative literature analysis, we identify four emerging trends: Hierarchical GNNs, Adaptive Graph Structure Learning, Multimodal GNNs, and Higher-order GNNs. Through an in-depth exploration of these trends, we offer insights into the evolving landscape of GNNs in histopathological analysis. Based on our findings, we propose future directions to propel the field forward. Our analysis serves to guide researchers and practitioners towards innovative approaches and methodologies, fostering advancements in histopathological analysis through the lens of graph neural networks.
To mitigate the suboptimal nature of graph structure, Graph Structure Learning (GSL) has emerged as a promising approach to improve graph structure and boost performance in downstream tasks. Despite the proposal of numerous GSL methods, the progresses in this field mostly concentrated on node-level tasks, while graph-level tasks (e.g., graph classification) remain largely unexplored. Notably, applying node-level GSL to graph classification is non-trivial due to the lack of find-grained guidance for intricate structure learning. Inspired by the vital role of subgraph in graph classification, in this paper we explore the potential of subgraph structure learning for graph classification by tackling the challenges of key subgraph selection and structure optimization. We propose a novel Motif-driven Subgraph Structure Learning method for Graph Classification (MOSGSL). Specifically, MOSGSL incorporates a subgraph structure learning module which can adaptively select important subgraphs. A motif-driven structure guidance module is further introduced to capture key subgraph-level structural patterns (motifs) and facilitate personalized structure learning. Extensive experiments demonstrate a significant and consistent improvement over baselines, as well as its flexibility and generalizability for various backbones and learning procedures.
Perfusion MRI (pMRI) offers valuable insights into tumor vascularity and promises to predict tumor genotypes, thus benefiting prognosis for glioma patients, yet effective models tailored to 4D pMRI are still lacking. This study presents the first attempt to model 4D pMRI using a GNN-based spatiotemporal model PerfGAT, integrating spatial information and temporal kinetics to predict Isocitrate DeHydrogenase (IDH) mutation status in glioma patients. Specifically, we propose a graph structure learning approach based on edge attention and negative graphs to optimize temporal correlations modeling. Moreover, we design a dual-attention feature fusion module to integrate spatiotemporal features while addressing tumor-related brain regions. Further, we develop a class-balanced augmentation methods tailored to spatiotemporal data, which could mitigate the common label imbalance issue in clinical datasets. Our experimental results demonstrate that the proposed method outperforms other state-of-the-art approaches, promising to model pMRI effectively for patient characterization.
Graph neural network (GNN) models play a pivotal role in numerous tasks involving graph-related data analysis. Despite their efficacy, similar to other deep learning models, GNNs are susceptible to adversarial attacks. Even minor perturbations in graph data can induce substantial alterations in model predictions. While existing research has explored various adversarial defense techniques for GNNs, the challenge of defending against adversarial attacks on real-world scale graph data remains largely unresolved. On one hand, methods reliant on graph purification and preprocessing tend to excessively emphasize local graph information, leading to sub-optimal defensive outcomes. On the other hand, approaches rooted in graph structure learning entail significant time overheads, rendering them impractical for large-scale graphs. In this paper, we propose a new defense method named Talos, which enhances the global, rather than local, homophily of graphs as a defense. Experiments show that the proposed approach notably outperforms state-of-the-art defense approaches, while imposing little computational overhead.