Graphs are a natural representation of brain activity derived from functional magnetic imaging (fMRI) data. It is well known that clusters of anatomical brain regions, known as functional connectivity networks (FCNs), encode temporal relationships which can serve as useful biomarkers for understanding brain function and dysfunction. Previous works, however, ignore the temporal dynamics of the brain and focus on static graphs. In this paper, we propose a dynamic brain graph deep generative model (DBGDGM) which simultaneously clusters brain regions into temporally evolving communities and learns dynamic unsupervised node embeddings. Specifically, DBGDGM represents brain graph nodes as embeddings sampled from a distribution over communities that evolve over time. We parameterise this community distribution using neural networks that learn from subject and node embeddings as well as past community assignments. Experiments demonstrate DBGDGM outperforms baselines in graph generation, dynamic link prediction, and is comparable for graph classification. Finally, an analysis of the learnt community distributions reveals overlap with known FCNs reported in neuroscience literature.
Temporal graph neural networks have shown promising results in learning inductive representations by automatically extracting temporal patterns. However, previous works often rely on complex memory modules or inefficient random walk methods to construct temporal representations. To address these limitations, we present an efficient yet effective attention-based encoder that leverages temporal edge encodings and window-based subgraph sampling to generate task-agnostic embeddings. Moreover, we propose a joint-embedding architecture using non-contrastive SSL to learn rich temporal embeddings without labels. Experimental results on 7 benchmark datasets indicate that on average, our model outperforms SoTA baselines on the future link prediction task by 4.23% for the transductive setting and 3.30% for the inductive setting while only requiring 5-10x less training/inference time. Lastly, different aspects of the proposed framework are investigated through experimental analysis and ablation studies. The code is publicly available at https://github.com/huawei-noah/noah-research/tree/master/graph_atlas.
Temporal networks are an important type of network whose topological structure changes over time. Compared with methods on static networks, temporal network embedding (TNE) methods are facing three challenges: 1) it cannot describe the temporal dependence across network snapshots; 2) the node embedding in the latent space fails to indicate changes in the network topology; and 3) it cannot avoid a lot of redundant computation via parameter inheritance on a series of snapshots. To this end, we propose a novel temporal network embedding method named Dynamic Cluster Structure Constraint model (DyCSC), whose core idea is to capture the evolution of temporal networks by imposing a temporal constraint on the tendency of the nodes in the network to a given number of clusters. It not only generates low-dimensional embedding vectors for nodes but also preserves the dynamic nonlinear features of temporal networks. Experimental results on multiple realworld datasets have demonstrated the superiority of DyCSC for temporal graph embedding, as it consistently outperforms competing methods by significant margins in multiple temporal link prediction tasks. Moreover, the ablation study further validates the effectiveness of the proposed temporal constraint.
Despite the prevalence of recent success in learning from static graphs, learning from time-evolving graphs remains an open challenge. In this work, we design new, more stringent evaluation procedures for link prediction specific to dynamic graphs, which reflect real-world considerations, to better compare the strengths and weaknesses of methods. First, we create two visualization techniques to understand the reoccurring patterns of edges over time and show that many edges reoccur at later time steps. Based on this observation, we propose a pure memorization baseline called EdgeBank. EdgeBank achieves surprisingly strong performance across multiple settings because easy negative edges are often used in the current evaluation setting. To evaluate against more difficult negative edges, we introduce two more challenging negative sampling strategies that improve robustness and better match real-world applications. Lastly, we introduce six new dynamic graph datasets from a diverse set of domains missing from current benchmarks, providing new challenges and opportunities for future research. Our code repository is accessible at https://github.com/fpour/DGB.git.
User interests are usually dynamic in the real world, which poses both theoretical and practical challenges for learning accurate preferences from rich behavior data. Among existing user behavior modeling solutions, attention networks are widely adopted for its effectiveness and relative simplicity. Despite being extensively studied, existing attentions still suffer from two limitations: i) conventional attentions mainly take into account the spatial correlation between user behaviors, regardless the distance between those behaviors in the continuous time space; and ii) these attentions mostly provide a dense and undistinguished distribution over all past behaviors then attentively encode them into the output latent representations. This is however not suitable in practical scenarios where a user's future actions are relevant to a small subset of her/his historical behaviors. In this paper, we propose a novel attention network, named self-modulating attention, that models the complex and non-linearly evolving dynamic user preferences. We empirically demonstrate the effectiveness of our method on top-N sequential recommendation tasks, and the results on three large-scale real-world datasets show that our model can achieve state-of-the-art performance.
Dynamic link prediction (DLP) makes graph prediction based on historical information. Since most DLP methods are highly dependent on the training data to achieve satisfying prediction performance, the quality of the training data is crucial. Backdoor attacks induce the DLP methods to make wrong prediction by the malicious training data, i.e., generating a subgraph sequence as the trigger and embedding it to the training data. However, the vulnerability of DLP toward backdoor attacks has not been studied yet. To address the issue, we propose a novel backdoor attack framework on DLP, denoted as Dyn-Backdoor. Specifically, Dyn-Backdoor generates diverse initial-triggers by a generative adversarial network (GAN). Then partial links of the initial-triggers are selected to form a trigger set, according to the gradient information of the attack discriminator in the GAN, so as to reduce the size of triggers and improve the concealment of the attack. Experimental results show that Dyn-Backdoor launches successful backdoor attacks on the state-of-the-art DLP models with success rate more than 90%. Additionally, we conduct a possible defense against Dyn-Backdoor to testify its resistance in defensive settings, highlighting the needs of defenses for backdoor attacks on DLP.
Representation learning on graphs that evolve has recently received significant attention due to its wide application scenarios, such as bioinformatics, knowledge graphs, and social networks. The propagation of information in graphs is important in learning dynamic graph representations, and most of the existing methods achieve this by aggregation. However, relying only on aggregation to propagate information in dynamic graphs can result in delays in information propagation and thus affect the performance of the method. To alleviate this problem, we propose an aggregation-diffusion (AD) mechanism that actively propagates information to its neighbor by diffusion after the node updates its embedding through the aggregation mechanism. In experiments on two real-world datasets in the dynamic link prediction task, the AD mechanism outperforms the baseline models that only use aggregation to propagate information. We further conduct extensive experiments to discuss the influence of different factors in the AD mechanism.
Embedding static graphs in low-dimensional vector spaces plays a key role in network analytics and inference, supporting applications like node classification, link prediction, and graph visualization. However, many real-world networks present dynamic behavior, including topological evolution, feature evolution, and diffusion. Therefore, several methods for embedding dynamic graphs have been proposed to learn network representations over time, facing novel challenges, such as time-domain modeling, temporal features to be captured, and the temporal granularity to be embedded. In this survey, we overview dynamic graph embedding, discussing its fundamentals and the recent advances developed so far. We introduce the formal definition of dynamic graph embedding, focusing on the problem setting and introducing a novel taxonomy for dynamic graph embedding input and output. We further explore different dynamic behaviors that may be encompassed by embeddings, classifying by topological evolution, feature evolution, and processes on networks. Afterward, we describe existing techniques and propose a taxonomy for dynamic graph embedding techniques based on algorithmic approaches, from matrix and tensor factorization to deep learning, random walks, and temporal point processes. We also elucidate main applications, including dynamic link prediction, anomaly detection, and diffusion prediction, and we further state some promising research directions in the area.
Representation learning of static and more recently dynamically evolving graphs has gained noticeable attention. Existing approaches for modelling graph dynamics focus extensively on the evolution of individual nodes independently of the evolution of mesoscale community structures. As a result, current methods do not provide useful tools to study and cannot explicitly capture temporal community dynamics. To address this challenge, we propose GRADE - a probabilistic model that learns to generate evolving node and community representations by imposing a random walk prior over their trajectories. Our model also learns node community membership which is updated between time steps via a transition matrix. At each time step link generation is performed by first assigning node membership from a distribution over the communities, and then sampling a neighbor from a distribution over the nodes for the assigned community. We parametrize the node and community distributions with neural networks and learn their parameters via variational inference. Experiments demonstrate GRADE outperforms baselines in dynamic link prediction, shows favourable performance on dynamic community detection, and identifies coherent and interpretable evolving communities.
Dynamic networks are used in a wide range of fields, including social network analysis, recommender systems, and epidemiology. Representing complex networks as structures changing over time allow network models to leverage not only structural but also temporal patterns. However, as dynamic network literature stems from diverse fields and makes use of inconsistent terminology, it is challenging to navigate. Meanwhile, graph neural networks (GNNs) have gained a lot of attention in recent years for their ability to perform well on a range of network science tasks, such as link prediction and node classification. Despite the popularity of graph neural networks and the proven benefits of dynamic network models, there has been little focus on graph neural networks for dynamic networks. To address the challenges resulting from the fact that this research crosses diverse fields as well as to survey dynamic graph neural networks, this work is split into two main parts. First, to address the ambiguity of the dynamic network terminology we establish a foundation of dynamic networks with consistent, detailed terminology and notation. Second, we present a comprehensive survey of dynamic graph neural network models using the proposed terminology
Reasoning about graphs evolving over time is a challenging concept in many domains, such as bioinformatics, physics, and social networks. We consider a common case in which edges can be short term interactions (e.g., messaging) or long term structural connections (e.g., friendship). In practice, long term edges are often specified by humans. Human-specified edges can be both expensive to produce and suboptimal for the downstream task. To alleviate these issues, we propose a model based on temporal point processes and variational autoencoders that learns to infer temporal attention between nodes by observing node communication. As temporal attention drives between-node feature propagation, using the dynamics of node interactions to learn this key component provides more flexibility while simultaneously avoiding issues associated with human-specified edges. We also propose a bilinear transformation layer for pairs of node features instead of concatenation, typically used in prior work, and demonstrate its superior performance in all cases. In experiments on two datasets in the dynamic link prediction task, our model often outperforms the baseline model that requires a human-specified graph. Moreover, our learned attention is semantically interpretable and infers connections similar to actual graphs.
Representation learning over graph structured data has been mostly studied in static graph settings while efforts for modeling dynamic graphs are still scant. In this paper, we develop a novel hierarchical variational model that introduces additional latent random variables to jointly model the hidden states of a graph recurrent neural network (GRNN) to capture both topology and node attribute changes in dynamic graphs. We argue that the use of high-level latent random variables in this variational GRNN (VGRNN) can better capture potential variability observed in dynamic graphs as well as the uncertainty of node latent representation. With semi-implicit variational inference developed for this new VGRNN architecture (SI-VGRNN), we show that flexible non-Gaussian latent representations can further help dynamic graph analytic tasks. Our experiments with multiple real-world dynamic graph datasets demonstrate that SI-VGRNN and VGRNN consistently outperform the existing baseline and state-of-the-art methods by a significant margin in dynamic link prediction.
Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at \url{https://github.com/IBM/EvolveGCN}.
Learning graph representations is a fundamental task aimed at capturing various properties of graphs in vector space. The most recent methods learn such representations for static networks. However, real world networks evolve over time and have varying dynamics. Capturing such evolution is key to predicting the properties of unseen networks. To understand how the network dynamics affect the prediction performance, we propose an embedding approach which learns the structure of evolution in dynamic graphs and can predict unseen links with higher precision. Our model, dyngraph2vec, learns the temporal transitions in the network using a deep architecture composed of dense and recurrent layers. We motivate the need of capturing dynamics for prediction on a toy data set created using stochastic block models. We then demonstrate the efficacy of dyngraph2vec over existing state-of-the-art methods on two real world data sets. We observe that learning dynamics can improve the quality of embedding and yield better performance in link prediction.
The problem of Knowledge Base Completion can be framed as a 3rd-order binary tensor completion problem. In this light, the Canonical Tensor Decomposition (CP) (Hitchcock, 1927) seems like a natural solution; however, current implementations of CP on standard Knowledge Base Completion benchmarks are lagging behind their competitors. In this work, we attempt to understand the limits of CP for knowledge base completion. First, we motivate and test a novel regularizer, based on tensor nuclear $p$-norms. Then, we present a reformulation of the problem that makes it invariant to arbitrary choices in the inclusion of predicates or their reciprocals in the dataset. These two methods combined allow us to beat the current state of the art on several datasets with a CP decomposition, and obtain even better results using the more advanced ComplEx model.
The task of predicting future relationships in a social network, known as link prediction, has been studied extensively in the literature. Many link prediction methods have been proposed, ranging from common neighbors to probabilistic models. Recent work by Yang et al. has highlighted several challenges in evaluating link prediction accuracy. In dynamic networks where edges are both added and removed over time, the link prediction problem is more complex and involves predicting both newly added and newly removed edges. This results in new challenges in the evaluation of dynamic link prediction methods, and the recommendations provided by Yang et al. are no longer applicable, because they do not address edge removal. In this paper, we investigate several metrics currently used for evaluating accuracies of dynamic link prediction methods and demonstrate why they can be misleading in many cases. We provide several recommendations on evaluating dynamic link prediction accuracy, including separation into two categories of evaluation. Finally we propose a unified metric to characterize link prediction accuracy effectively using a single number.
We propose a simple discrete time semi-supervised graph embedding approach to link prediction in dynamic networks. The learned embedding reflects information from both the temporal and cross-sectional network structures, which is performed by defining the loss function as a weighted sum of the supervised loss from past dynamics and the unsupervised loss of predicting the neighborhood context in the current network. Our model is also capable of learning different embeddings for both formation and dissolution dynamics. These key aspects contributes to the predictive performance of our model and we provide experiments with three real--world dynamic networks showing that our method is comparable to state of the art methods in link formation prediction and outperforms state of the art baseline methods in link dissolution prediction.
How can we effectively encode evolving information over dynamic graphs into low-dimensional representations? In this paper, we propose DyRep, an inductive deep representation learning framework that learns a set of functions to efficiently produce low-dimensional node embeddings that evolves over time. The learned embeddings drive the dynamics of two key processes namely, communication and association between nodes in dynamic graphs. These processes exhibit complex nonlinear dynamics that evolve at different time scales and subsequently contribute to the update of node embeddings. We employ a time-scale dependent multivariate point process model to capture these dynamics. We devise an efficient unsupervised learning procedure and demonstrate that our approach significantly outperforms representative baselines on two real-world datasets for the problem of dynamic link prediction and event time prediction.