Traffic forecasting as a canonical task of multivariate time series forecasting has been a significant research topic in AI community. To address the spatio-temporal heterogeneity and non-stationarity implied in the traffic stream, in this study, we propose Spatio-Temporal Meta-Graph Learning as a novel Graph Structure Learning mechanism on spatio-temporal data. Specifically, we implement this idea into Meta-Graph Convolutional Recurrent Network (MegaCRN) by plugging the Meta-Graph Learner powered by a Meta-Node Bank into GCRN encoder-decoder. We conduct a comprehensive evaluation on two benchmark datasets (i.e., METR-LA and PEMS-BAY) and a new large-scale traffic speed dataset called EXPY-TKY that covers 1843 expressway road links in Tokyo. Our model outperformed the state-of-the-arts on all three datasets. Besides, through a series of qualitative evaluations, we demonstrate that our model can explicitly disentangle the road links and time slots with different patterns and be robustly adaptive to any anomalous traffic situations. Codes and datasets are available at https://github.com/deepkashiwa20/MegaCRN.
Multivariate biosignals are prevalent in many medical domains, such as electroencephalography, polysomnography, and electrocardiography. Modeling spatiotemporal dependencies in multivariate biosignals is challenging due to (1) long-range temporal dependencies and (2) complex spatial correlations between the electrodes. To address these challenges, we propose representing multivariate biosignals as time-dependent graphs and introduce GraphS4mer, a general graph neural network (GNN) architecture that improves performance on biosignal classification tasks by modeling spatiotemporal dependencies in biosignals. Specifically, (1) we leverage the Structured State Space architecture, a state-of-the-art deep sequence model, to capture long-range temporal dependencies in biosignals and (2) we propose a graph structure learning layer in GraphS4mer to learn dynamically evolving graph structures in the data. We evaluate our proposed model on three distinct biosignal classification tasks and show that GraphS4mer consistently improves over existing models, including (1) seizure detection from electroencephalographic signals, outperforming a previous GNN with self-supervised pre-training by 3.1 points in AUROC; (2) sleep staging from polysomnographic signals, a 4.1 points improvement in macro-F1 score compared to existing sleep staging models; and (3) 12-lead electrocardiogram classification, outperforming previous state-of-the-art models by 2.7 points in macro-F1 score.
Multimodal recommender systems utilizing multimodal features (e.g., images and textual descriptions) typically show better recommendation accuracy than general recommendation models based solely on user-item interactions. Generally, prior work fuses multimodal features into item ID embeddings to enrich item representations, thus failing to capture the latent semantic item-item structures. In this context, LATTICE proposes to learn the latent structure between items explicitly and achieves state-of-the-art performance for multimodal recommendations. However, we argue the latent graph structure learning of LATTICE is both inefficient and unnecessary. Experimentally, we demonstrate that freezing its item-item structure before training can also achieve competitive performance. Based on this finding, we propose a simple yet effective model, dubbed as FREEDOM, that FREEzes the item-item graph and DenOises the user-item interaction graph simultaneously for Multimodal recommendation. Theoretically, we examine the design of FREEDOM through a graph spectral perspective and demonstrate that it possesses a tighter upper bound on the graph spectrum. In denoising the user-item interaction graph, we devise a degree-sensitive edge pruning method, which rejects possibly noisy edges with a high probability when sampling the graph. We evaluate the proposed model on three real-world datasets and show that FREEDOM can significantly outperform current strongest baselines. Compared with LATTICE, FREEDOM achieves an average improvement of 19.07% in recommendation accuracy while reducing its memory cost up to 6$\times$ on large graphs. The source code is available at: https://github.com/enoche/FREEDOM.
Graph structure learning (GSL), which aims to learn the adjacency matrix for graph neural networks (GNNs), has shown great potential in boosting the performance of GNNs. Most existing GSL works apply a joint learning framework where the estimated adjacency matrix and GNN parameters are optimized for downstream tasks. However, as GSL is essentially a link prediction task, whose goal may largely differ from the goal of the downstream task. The inconsistency of these two goals limits the GSL methods to learn the potential optimal graph structure. Moreover, the joint learning framework suffers from scalability issues in terms of time and space during the process of estimation and optimization of the adjacency matrix. To mitigate these issues, we propose a graph structure refinement (GSR) framework with a pretrain-finetune pipeline. Specifically, The pre-training phase aims to comprehensively estimate the underlying graph structure by a multi-view contrastive learning framework with both intra- and inter-view link prediction tasks. Then, the graph structure is refined by adding and removing edges according to the edge probabilities estimated by the pre-trained model. Finally, the fine-tuning GNN is initialized by the pre-trained model and optimized toward downstream tasks. With the refined graph structure remaining static in the fine-tuning space, GSR avoids estimating and optimizing graph structure in the fine-tuning phase which enjoys great scalability and efficiency. Moreover, the fine-tuning GNN is boosted by both migrating knowledge and refining graphs. Extensive experiments are conducted to evaluate the effectiveness (best performance on six benchmark datasets), efficiency, and scalability (13.8x faster using 32.8% GPU memory compared to the best GSL baseline on Cora) of the proposed model.
We introduce pyGSL, a Python library that provides efficient implementations of state-of-the-art graph structure learning models along with diverse datasets to evaluate them on. The implementations are written in GPU-friendly ways, allowing one to scale to much larger network tasks. A common interface is introduced for algorithm unrolling methods, unifying implementations of recent state-of-the-art techniques and allowing new methods to be quickly developed by avoiding the need to rebuild the underlying unrolling infrastructure. Implementations of differentiable graph structure learning models are written in PyTorch, allowing us to leverage the rich software ecosystem that exists e.g., around logging, hyperparameter search, and GPU-communication. This also makes it easy to incorporate these models as components in larger gradient based learning systems where differentiable estimates of graph structure may be useful, e.g. in latent graph learning. Diverse datasets and performance metrics allow consistent comparisons across models in this fast growing field. The full code repository can be found on https://github.com/maxwass/pyGSL.
Network or physical attacks on industrial equipment or computer systems may cause massive losses. Therefore, a quick and accurate anomaly detection (AD) based on monitoring data, especially the multivariate time-series (MTS) data, is of great significance. As the key step of anomaly detection for MTS data, learning the relations among different variables has been explored by many approaches. However, most of the existing approaches do not consider the heterogeneity between variables, that is, different types of variables (continuous numerical variables, discrete categorical variables or hybrid variables) may have different and distinctive edge distributions. In this paper, we propose a novel semi-supervised anomaly detection framework based on a heterogeneous feature network (HFN) for MTS, learning heterogeneous structure information from a mass of unlabeled time-series data to improve the accuracy of anomaly detection, and using attention coefficient to provide an explanation for the detected anomalies. Specifically, we first combine the embedding similarity subgraph generated by sensor embedding and feature value similarity subgraph generated by sensor values to construct a time-series heterogeneous graph, which fully utilizes the rich heterogeneous mutual information among variables. Then, a prediction model containing nodes and channel attentions is jointly optimized to obtain better time-series representations. This approach fuses the state-of-the-art technologies of heterogeneous graph structure learning (HGSL) and representation learning. The experiments on four sensor datasets from real-world applications demonstrate that our approach detects the anomalies more accurately than those baseline approaches, thus providing a basis for the rapid positioning of anomalies.
Embedded topic models are able to learn interpretable topics even with large and heavy-tailed vocabularies. However, they generally hold the Euclidean embedding space assumption, leading to a basic limitation in capturing hierarchical relations. To this end, we present a novel framework that introduces hyperbolic embeddings to represent words and topics. With the tree-likeness property of hyperbolic space, the underlying semantic hierarchy among words and topics can be better exploited to mine more interpretable topics. Furthermore, due to the superiority of hyperbolic geometry in representing hierarchical data, tree-structure knowledge can also be naturally injected to guide the learning of a topic hierarchy. Therefore, we further develop a regularization term based on the idea of contrastive learning to inject prior structural knowledge efficiently. Experiments on both topic taxonomy discovery and document representation demonstrate that the proposed framework achieves improved performance against existing embedded topic models.
Multivariate time-series forecasting is a critical task for many applications, and graph time-series network is widely studied due to its capability to capture the spatial-temporal correlation simultaneously. However, most existing works focus more on learning with the explicit prior graph structure, while ignoring potential information from the implicit graph structure, yielding incomplete structure modeling. Some recent works attempt to learn the intrinsic or implicit graph structure directly while lacking a way to combine explicit prior structure with implicit structure together. In this paper, we propose Regularized Graph Structure Learning (RGSL) model to incorporate both explicit prior structure and implicit structure together, and learn the forecasting deep networks along with the graph structure. RGSL consists of two innovative modules. First, we derive an implicit dense similarity matrix through node embedding, and learn the sparse graph structure using the Regularized Graph Generation (RGG) based on the Gumbel Softmax trick. Second, we propose a Laplacian Matrix Mixed-up Module (LM3) to fuse the explicit graph and implicit graph together. We conduct experiments on three real-word datasets. Results show that the proposed RGSL model outperforms existing graph forecasting algorithms with a notable margin, while learning meaningful graph structure simultaneously. Our code and models are made publicly available at https://github.com/alipay/RGSL.git.
The prevalence and perniciousness of fake news have been a critical issue on the Internet, which stimulates the development of automatic fake news detection in turn. In this paper, we focus on evidence-based fake news detection, where several evidences are utilized to probe the veracity of news (i.e., a claim). Most previous methods first employ sequential models to embed the semantic information and then capture the claim-evidence interaction based on attention mechanisms. Despite their effectiveness, they still suffer from three weaknesses. Firstly, sequential models fail to integrate the relevant information that is scattered far apart in evidences. Secondly, they underestimate much redundant information in evidences may be useless or harmful. Thirdly, insufficient data utilization limits the separability and reliability of representations captured by the model. To solve these problems, we propose a unified Graph-based sEmantic structure mining framework with ConTRAstive Learning, namely GETRAL in short. Specifically, we first model claims and evidences as graph-structured data to capture the long-distance semantic dependency. Consequently, we reduce information redundancy by performing graph structure learning. Then the fine-grained semantic representations are fed into the claim-evidence interaction module for predictions. Finally, an adversarial contrastive learning module is applied to make full use of data and strengthen representation learning. Comprehensive experiments have demonstrated the superiority of GETRAL over the state-of-the-arts and validated the efficacy of semantic mining with graph structure and contrastive learning.
Graph structure learning aims to learn connectivity in a graph from data. It is particularly important for many computer vision related tasks since no explicit graph structure is available for images for most cases. A natural way to construct a graph among images is to treat each image as a node and assign pairwise image similarities as weights to corresponding edges. It is well known that pairwise similarities between images are sensitive to the noise in feature representations, leading to unreliable graph structures. We address this problem from the viewpoint of statistical tests. By viewing the feature vector of each node as an independent sample, the decision of whether creating an edge between two nodes based on their similarity in feature representation can be thought as a ${\it single}$ statistical test. To improve the robustness in the decision of creating an edge, multiple samples are drawn and integrated by ${\it multiple}$ statistical tests to generate a more reliable similarity measure, consequentially more reliable graph structure. The corresponding elegant matrix form named $\mathcal{B}\textbf{-Attention}$ is designed for efficiency. The effectiveness of multiple tests for graph structure learning is verified both theoretically and empirically on multiple clustering and ReID benchmark datasets. Source codes are available at https://github.com/Thomas-wyh/B-Attention.
Graph neural networks (GNNs) have demonstrated success in learning representations of brain graphs derived from functional magnetic resonance imaging (fMRI) data. However, existing GNN methods assume brain graphs are static over time and the graph adjacency matrix is known prior to model training. These assumptions contradict evidence that brain graphs are time-varying with a connectivity structure that depends on the choice of functional connectivity measure. Incorrectly representing fMRI data with noisy brain graphs can adversely affect GNN performance. To address this, we propose DynDepNet, a novel method for learning the optimal time-varying dependency structure of fMRI data induced by downstream prediction tasks. Experiments on real-world fMRI datasets, for the task of sex classification, demonstrate that DynDepNet achieves state-of-the-art results, outperforming the best baseline in terms of accuracy by approximately 8 and 6 percentage points, respectively. Furthermore, analysis of the learned dynamic graphs reveals prediction-related brain regions consistent with existing neuroscience literature.
Most existing semi-supervised graph-based clustering methods exploit the supervisory information by either refining the affinity matrix or directly constraining the low-dimensional representations of data points. The affinity matrix represents the graph structure and is vital to the performance of semi-supervised graph-based clustering. However, existing methods adopt a static affinity matrix to learn the low-dimensional representations of data points and do not optimize the affinity matrix during the learning process. In this paper, we propose a novel dynamic graph structure learning method for semi-supervised clustering. In this method, we simultaneously optimize the affinity matrix and the low-dimensional representations of data points by leveraging the given pairwise constraints. Moreover, we propose an alternating minimization approach with proven convergence to solve the proposed nonconvex model. During the iteration process, our method cyclically updates the low-dimensional representations of data points and refines the affinity matrix, leading to a dynamic affinity matrix (graph structure). Specifically, for the update of the affinity matrix, we enforce the data points with remarkably different low-dimensional representations to have an affinity value of 0. Furthermore, we construct the initial affinity matrix by integrating the local distance and global self-representation among data points. Experimental results on eight benchmark datasets under different settings show the advantages of the proposed approach.
Topology-imbalance is a graph-specific imbalance problem caused by the uneven topology positions of labeled nodes, which significantly damages the performance of GNNs. What topology-imbalance means and how to measure its impact on graph learning remain under-explored. In this paper, we provide a new understanding of topology-imbalance from a global view of the supervision information distribution in terms of under-reaching and over-squashing, which motivates two quantitative metrics as measurements. In light of our analysis, we propose a novel position-aware graph structure learning framework named PASTEL, which directly optimizes the information propagation path and solves the topology-imbalance issue in essence. Our key insight is to enhance the connectivity of nodes within the same class for more supervision information, thereby relieving the under-reaching and over-squashing phenomena. Specifically, we design an anchor-based position encoding mechanism, which better incorporates relative topology position and enhances the intra-class inductive bias by maximizing the label influence. We further propose a class-wise conflict measure as the edge weights, which benefits the separation of different node classes. Extensive experiments demonstrate the superior potential and adaptability of PASTEL in enhancing GNNs' power in different data annotation scenarios.
Data imputation is an effective way to handle missing data, which is common in practical applications. In this study, we propose and test a novel data imputation process that achieve two important goals: (1) preserve the row-wise similarities among observations and column-wise contextual relationships among features in the feature matrix, and (2) tailor the imputation process to specific downstream label prediction task. The proposed imputation process uses Transformer network and graph structure learning to iteratively refine the contextual relationships among features and similarities among observations. Moreover, it uses a meta-learning framework to select features that are influential to the downstream prediction task of interest. We conduct experiments on real-world large data sets, and show that the proposed imputation process consistently improves imputation and label prediction performance over a variety of benchmark methods.
Multivariate time series anomaly detection has been extensively studied under the semi-supervised setting, where a training dataset with all normal instances is required. However, preparing such a dataset is very laborious since each single data instance should be fully guaranteed to be normal. It is, therefore, desired to explore multivariate time series anomaly detection methods based on the dataset without any label knowledge. In this paper, we propose MTGFlow, an unsupervised anomaly detection approach for multivariate time series anomaly detection via dynamic graph and entity-aware normalizing flow, leaning only on a widely accepted hypothesis that abnormal instances exhibit sparse densities than the normal. However, the complex interdependencies among entities and the diverse inherent characteristics of each entity pose significant challenges on the density estimation, let alone to detect anomalies based on the estimated possibility distribution. To tackle these problems, we propose to learn the mutual and dynamic relations among entities via a graph structure learning model, which helps to model accurate distribution of multivariate time series. Moreover, taking account of distinct characteristics of the individual entities, an entity-aware normalizing flow is developed to describe each entity into a parameterized normal distribution, thereby producing fine-grained density estimation. Incorporating these two strategies, MTGFlow achieves superior anomaly detection performance. Experiments on five public datasets with seven baselines are conducted, MTGFlow outperforms the SOTA methods by up to 5.0 AUROC\%. Codes will be released at https://github.com/zqhang/Detecting-Multivariate-Time-Series-Anomalies-with-Zero-Known-Label.
With the development of graph kernels and graph representation learning, many superior methods have been proposed to handle scalability and oversmoothing issues on graph structure learning. However, most of those strategies are designed based on practical experience rather than theoretical analysis. In this paper, we use a particular dummy node connecting to all existing vertices without affecting original vertex and edge properties. We further prove that such the dummy node can help build an efficient monomorphic edge-to-vertex transform and an epimorphic inverse to recover the original graph back. It also indicates that adding dummy nodes can preserve local and global structures for better graph representation learning. We extend graph kernels and graph neural networks with dummy nodes and conduct experiments on graph classification and subgraph isomorphism matching tasks. Empirical results demonstrate that taking graphs with dummy nodes as input significantly boosts graph structure learning, and using their edge-to-vertex graphs can also achieve similar results. We also discuss the gain of expressive power from the dummy in neural networks.
3D object detection from multiple image views is a fundamental and challenging task for visual scene understanding. Due to its low cost and high efficiency, multi-view 3D object detection has demonstrated promising application prospects. However, accurately detecting objects through perspective views in the 3D space is extremely difficult due to the lack of depth information. Recently, DETR3D introduces a novel 3D-2D query paradigm in aggregating multi-view images for 3D object detection and achieves state-of-the-art performance. In this paper, with intensive pilot experiments, we quantify the objects located at different regions and find that the "truncated instances" (i.e., at the border regions of each image) are the main bottleneck hindering the performance of DETR3D. Although it merges multiple features from two adjacent views in the overlapping regions, DETR3D still suffers from insufficient feature aggregation, thus missing the chance to fully boost the detection performance. In an effort to tackle the problem, we propose Graph-DETR3D to automatically aggregate multi-view imagery information through graph structure learning (GSL). It constructs a dynamic 3D graph between each object query and 2D feature maps to enhance the object representations, especially at the border regions. Besides, Graph-DETR3D benefits from a novel depth-invariant multi-scale training strategy, which maintains the visual depth consistency by simultaneously scaling the image size and the object depth. Extensive experiments on the nuScenes dataset demonstrate the effectiveness and efficiency of our Graph-DETR3D. Notably, our best model achieves 49.5 NDS on the nuScenes test leaderboard, achieving new state-of-the-art in comparison with various published image-view 3D object detectors.
Many successful learning algorithms have been recently developed to represent graph-structured data. For example, Graph Neural Networks (GNNs) have achieved considerable successes in various tasks such as node classification, graph classification, and link prediction. However, these methods are highly dependent on the quality of the input graph structure. One used approach to alleviate this problem is to learn the graph structure instead of relying on a manually designed graph. In this paper, we introduce a new graph structure learning approach using multi-view learning, named MV-GSL (Multi-View Graph Structure Learning), in which we aggregate different graph structure learning methods using subspace merging on Grassmann manifold to improve the quality of the learned graph structures. Extensive experiments are performed to evaluate the effectiveness of the proposed method on two benchmark datasets, Cora and Citeseer. Our experiments show that the proposed method has promising performance compared to single and other combined graph structure learning methods.
Recent studies show that Graph Neural Networks (GNNs) are vulnerable to adversarial attack, i.e., an imperceptible structure perturbation can fool GNNs to make wrong predictions. Some researches explore specific properties of clean graphs such as the feature smoothness to defense the attack, but the analysis of it has not been well-studied. In this paper, we analyze the adversarial attack on graphs from the perspective of feature smoothness which further contributes to an efficient new adversarial defensive algorithm for GNNs. We discover that the effect of the high-order graph structure is a smoother filter for processing graph structures. Intuitively, the high-order graph structure denotes the path number between nodes, where larger number indicates closer connection, so it naturally contributes to defense the adversarial perturbation. Further, we propose a novel algorithm that incorporates the high-order structural information into the graph structure learning. We perform experiments on three popular benchmark datasets, Cora, Citeseer and Polblogs. Extensive experiments demonstrate the effectiveness of our method for defending against graph adversarial attacks.
Accurate traffic forecasting, the foundation of intelligent transportation systems (ITS), has never been more significant than nowadays due to the prosperity of smart cities and urban computing. Recently, Graph Neural Network truly outperforms the traditional methods. Nevertheless, the most conventional GNN-based model works well while given a pre-defined graph structure. And the existing methods of defining the graph structures focus purely on spatial dependencies and ignore the temporal correlation. Besides, the semantics of the static pre-defined graph adjacency applied during the whole training progress is always incomplete, thus overlooking the latent topologies that may fine-tune the model. To tackle these challenges, we propose a new traffic forecasting framework -- Spatio-Temporal Latent Graph Structure Learning networks (ST-LGSL). More specifically, the model employs a graph generator based on Multilayer perceptron and K-Nearest Neighbor, which learns the latent graph topological information from the entire data considering both spatial and temporal dynamics. Furthermore, with the initialization of MLP-kNN based on ground-truth adjacency matrix and similarity metric in kNN, ST-LGSL aggregates the topologies focusing on geography and node similarity. Additionally, the generated graphs act as the input of the Spatio-temporal prediction module combined with the Diffusion Graph Convolutions and Gated Temporal Convolutions Networks. Experimental results on two benchmarking datasets in real world demonstrate that ST-LGSL outperforms various types of state-of-art baselines.