Money laundering has become one of the most relevant criminal activities in modern societies, as it causes massive financial losses for governments, banks and other institutions. Detecting such activities is among the top priorities when it comes to financial analysis, but current approaches are often costly and labor intensive partly due to the sheer amount of data to be analyzed. Hence, there is a growing need for automatic anti-money laundering systems to assist experts. In this work, we propose DELATOR, a novel framework for detecting money laundering activities based on graph neural networks that learn from large-scale temporal graphs. DELATOR provides an effective and efficient method for learning from heavily imbalanced graph data, by adapting concepts from the GraphSMOTE framework and incorporating elements of multi-task learning to obtain rich node embeddings for node classification. DELATOR outperforms all considered baselines, including an off-the-shelf solution from Amazon AWS by 23% with respect to AUC-ROC. We also conducted real experiments that led to the discovery of 7 new suspicious cases among the 50 analyzed ones, which have been reported to the authorities.
Representation learning on networks aims to derive a meaningful vector representation for each node, thereby facilitating downstream tasks such as link prediction, node classification, and node clustering. In heterogeneous text-rich networks, this task is more challenging due to (1) presence or absence of text: Some nodes are associated with rich textual information, while others are not; (2) diversity of types: Nodes and edges of multiple types form a heterogeneous network structure. As pretrained language models (PLMs) have demonstrated their effectiveness in obtaining widely generalizable text representations, a substantial amount of effort has been made to incorporate PLMs into representation learning on text-rich networks. However, few of them can jointly consider heterogeneous structure (network) information as well as rich textual semantic information of each node effectively. In this paper, we propose Heterformer, a Heterogeneous Network-Empowered Transformer that performs contextualized text encoding and heterogeneous structure encoding in a unified model. Specifically, we inject heterogeneous structure information into each Transformer layer when encoding node texts. Meanwhile, Heterformer is capable of characterizing node/edge type heterogeneity and encoding nodes with or without texts. We conduct comprehensive experiments on three tasks (i.e., link prediction, node classification, and node clustering) on three large-scale datasets from different domains, where Heterformer outperforms competitive baselines significantly and consistently.
Instability of trained models, i.e., the dependence of individual node predictions on random factors, can affect reproducibility, reliability, and trust in machine learning systems. In this paper, we systematically assess the prediction instability of node classification with state-of-the-art Graph Neural Networks (GNNs). With our experiments, we establish that multiple instantiations of popular GNN models trained on the same data with the same model hyperparameters result in almost identical aggregated performance but display substantial disagreement in the predictions for individual nodes. We find that up to one third of the incorrectly classified nodes differ across algorithm runs. We identify correlations between hyperparameters, node properties, and the size of the training set with the stability of predictions. In general, maximizing model performance implicitly also reduces model instability.
Graph neural networks (GNNs) have been demonstrated to achieve state-of-the-art for a number of graph-based learning tasks, which leads to a rise in their employment in various domains. However, it has been shown that GNNs may inherit and even amplify bias within training data, which leads to unfair results towards certain sensitive groups. Meanwhile, training of GNNs introduces additional challenges, such as slow convergence and possible instability. Faced with these limitations, this work proposes FairNorm, a unified normalization framework that reduces the bias in GNN-based learning while also providing provably faster convergence. Specifically, FairNorm employs fairness-aware normalization operators over different sensitive groups with learnable parameters to reduce the bias in GNNs. The design of FairNorm is built upon analyses that illuminate the sources of bias in graph-based learning. Experiments on node classification over real-world networks demonstrate the efficiency of the proposed scheme in improving fairness in terms of statistical parity and equal opportunity compared to fairness-aware baselines. In addition, it is empirically shown that the proposed framework leads to faster convergence compared to the naive baseline where no normalization is employed.
The last years have witnessed the emergence of a promising self-supervised learning strategy, referred to as masked autoencoding. However, there is a lack of theoretical understanding of how masking matters on graph autoencoders (GAEs). In this work, we present masked graph autoencoder (MaskGAE), a self-supervised learning framework for graph-structured data. Different from standard GAEs, MaskGAE adopts masked graph modeling (MGM) as a principled pretext task - masking a portion of edges and attempting to reconstruct the missing part with partially visible, unmasked graph structure. To understand whether MGM can help GAEs learn better representations, we provide both theoretical and empirical evidence to comprehensively justify the benefits of this pretext task. Theoretically, we establish close connections between GAEs and contrastive learning, showing that MGM significantly improves the self-supervised learning scheme of GAEs. Empirically, we conduct extensive experiments on a variety of graph benchmarks, demonstrating the superiority of MaskGAE over several state-of-the-arts on both link prediction and node classification tasks.
Due to the superior performance of Graph Neural Networks (GNNs) in various domains, there is an increasing interest in the GNN explanation problem "\emph{which fraction of the input graph is the most crucial to decide the model's decision?}" Existing explanation methods focus on the supervised settings, \eg, node classification and graph classification, while the explanation for unsupervised graph-level representation learning is still unexplored. The opaqueness of the graph representations may lead to unexpected risks when deployed for high-stake decision-making scenarios. In this paper, we advance the Information Bottleneck principle (IB) to tackle the proposed explanation problem for unsupervised graph representations, which leads to a novel principle, \textit{Unsupervised Subgraph Information Bottleneck} (USIB). We also theoretically analyze the connection between graph representations and explanatory subgraphs on the label space, which reveals that the expressiveness and robustness of representations benefit the fidelity of explanatory subgraphs. Experimental results on both synthetic and real-world datasets demonstrate the superiority of our developed explainer and the validity of our theoretical analysis.
Graph Neural Networks (GNNs) have been predominant for graph learning tasks; however, recent studies showed that a well-known graph algorithm, Label Propagation (LP), combined with a shallow neural network can achieve comparable performance to GNNs in semi-supervised node classification on graphs with high homophily. In this paper, we show that this approach falls short on graphs with low homophily, where nodes often connect to the nodes of the opposite classes. To overcome this, we carefully design a combination of a base predictor with LP algorithm that enjoys a closed-form solution as well as convergence guarantees. Our algorithm first learns the class compatibility matrix and then aggregates label predictions using LP algorithm weighted by class compatibilities. On a wide variety of benchmarks, we show that our approach achieves the leading performance on graphs with various levels of homophily. Meanwhile, it has orders of magnitude fewer parameters and requires less execution time. Empirical evaluations demonstrate that simple adaptations of LP can be competitive in semi-supervised node classification in both homophily and heterophily regimes.
In this paper, we propose a simple yet effective graph neural network for directed graphs (digraph) based on the classic Singular Value Decomposition (SVD), named SVD-GCN. The new graph neural network is built upon the graph SVD-framelet to better decompose graph signals on the SVD ``frequency'' bands. Further the new framelet SVD-GCN is also scaled up for larger scale graphs via using Chebyshev polynomial approximation. Through empirical experiments conducted on several node classification datasets, we have found that SVD-GCN has remarkable improvements in a variety of graph node learning tasks and it outperforms GCN and many other state-of-the-art graph neural networks for digraphs. Moreover, we empirically demonstate that the SVD-GCN has great denoising capability and robustness to high level graph data attacks. The theoretical and experimental results prove that the SVD-GCN is effective on a variant of graph datasets, meanwhile maintaining stable and even better performance than the state-of-the-arts.
Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy. However, both inference and training of GNNs are complex, and they uniquely combine the features of irregular graph processing with dense and regular computations. This complexity makes it very challenging to execute GNNs efficiently on modern massively parallel architectures. To alleviate this, we first design a taxonomy of parallelism in GNNs, considering data and model parallelism, and different forms of pipelining. Then, we use this taxonomy to investigate the amount of parallelism in numerous GNN models, GNN-driven machine learning tasks, software frameworks, or hardware accelerators. We use the work-depth model, and we also assess communication volume and synchronization. We specifically focus on the sparsity/density of the associated tensors, in order to understand how to effectively apply techniques such as vectorization. We also formally analyze GNN pipelining, and we generalize the established Message-Passing class of GNN models to cover arbitrary pipeline depths, facilitating future optimizations. Finally, we investigate different forms of asynchronicity, navigating the path for future asynchronous parallel GNN pipelines. The outcomes of our analysis are synthesized in a set of insights that help to maximize GNN performance, and a comprehensive list of challenges and opportunities for further research into efficient GNN computations. Our work will help to advance the design of future GNNs.
Classifying all cells in an organ is a relevant and difficult problem from plant developmental biology. We here abstract the problem into a new benchmark for node classification in a geo-referenced graph. Solving it requires learning the spatial layout of the organ including symmetries. To allow the convenient testing of new geometrical learning methods, the benchmark of Arabidopsis thaliana ovules is made available as a PyTorch data loader, along with a large number of precomputed features. Finally, we benchmark eight recent graph neural network architectures, finding that DeeperGCN currently works best on this problem.
We investigate graph neural networks on graphs with heterophily. Some existing methods amplify a node's neighborhood with multi-hop neighbors to include more nodes with homophily. However, it is a significant challenge to set personalized neighborhood sizes for different nodes. Further, for other homophilous nodes excluded in the neighborhood, they are ignored for information aggregation. To address these problems, we propose two models GloGNN and GloGNN++, which generate a node's embedding by aggregating information from global nodes in the graph. In each layer, both models learn a coefficient matrix to capture the correlations between nodes, based on which neighborhood aggregation is performed. The coefficient matrix allows signed values and is derived from an optimization problem that has a closed-form solution. We further accelerate neighborhood aggregation and derive a linear time complexity. We theoretically explain the models' effectiveness by proving that both the coefficient matrix and the generated node embedding matrix have the desired grouping effect. We conduct extensive experiments to compare our models against 11 other competitors on 15 benchmark datasets in a wide range of domains, scales and graph heterophilies. Experimental results show that our methods achieve superior performance and are also very efficient.
Nowadays, the analysis of complex phenomena modeled by graphs plays a crucial role in many real-world application domains where decisions can have a strong societal impact. However, numerous studies and papers have recently revealed that machine learning models could lead to potential disparate treatment between individuals and unfair outcomes. In that context, algorithmic contributions for graph mining are not spared by the problem of fairness and present some specific challenges related to the intrinsic nature of graphs: (1) graph data is non-IID, and this assumption may invalidate many existing studies in fair machine learning, (2) suited metric definitions to assess the different types of fairness with relational data and (3) algorithmic challenge on the difficulty of finding a good trade-off between model accuracy and fairness. This survey is the first one dedicated to fairness for relational data. It aims to present a comprehensive review of state-of-the-art techniques in fairness on graph mining and identify the open challenges and future trends. In particular, we start by presenting several sensible application domains and the associated graph mining tasks with a focus on edge prediction and node classification in the sequel. We also recall the different metrics proposed to evaluate potential bias at different levels of the graph mining process; then we provide a comprehensive overview of recent contributions in the domain of fair machine learning for graphs, that we classify into pre-processing, in-processing and post-processing models. We also propose to describe existing graph data, synthetic and real-world benchmarks. Finally, we present in detail five potential promising directions to advance research in studying algorithmic fairness on graphs.
Graph Neural Networks (GNNs) is an architecture for structural data, and has been adopted in a mass of tasks and achieved fabulous results, such as link prediction, node classification, graph classification and so on. Generally, for a certain node in a given graph, a traditional GNN layer can be regarded as an aggregation from one-hop neighbors, thus a set of stacked layers are able to fetch and update node status within multi-hops. For nodes with sparse connectivity, it is difficult to obtain enough information through a single GNN layer as not only there are only few nodes directly connected to them but also can not propagate the high-order neighbor information. However, as the number of layer increases, the GNN model is prone to over-smooth for nodes with the dense connectivity, which resulting in the decrease of accuracy. To tackle this issue, in this thesis, we define a novel framework that allows the normal GNN model to accommodate more layers. Specifically, a node-degree based gate is employed to adjust weight of layers dynamically, that try to enhance the information aggregation ability and reduce the probability of over-smoothing. Experimental results show that our proposed model can effectively increase the model depth and perform well on several datasets.
Graph Convolutional Networks (GCNs) suffer from performance degradation when models go deeper. However, earlier works only attributed the performance degeneration to over-smoothing. In this paper, we conduct theoretical and experimental analysis to explore the fundamental causes of performance degradation in deep GCNs: over-smoothing and gradient vanishing have a mutually reinforcing effect that causes the performance to deteriorate more quickly in deep GCNs. On the other hand, existing anti-over-smoothing methods all perform full convolutions up to the model depth. They could not well resist the exponential convergence of over-smoothing due to model depth increasing. In this work, we propose a simple yet effective plug-and-play module, Skipnode, to overcome the performance degradation of deep GCNs. It samples graph nodes in each convolutional layer to skip the convolution operation. In this way, both over-smoothing and gradient vanishing can be effectively suppressed since (1) not all nodes'features propagate through full layers and, (2) the gradient can be directly passed back through ``skipped'' nodes. We provide both theoretical analysis and empirical evaluation to demonstrate the efficacy of Skipnode and its superiority over SOTA baselines.
The Graph Convolutional Networks (GCNs) have achieved excellent results in node classification tasks, but the model's performance at low label rates is still unsatisfactory. Previous studies in Semi-Supervised Learning (SSL) for graph have focused on using network predictions to generate soft pseudo-labels or instructing message propagation, which inevitably contains the incorrect prediction due to the over-confident in the predictions. Our proposed Dual-Channel Consistency based Graph Convolutional Networks (DCC-GCN) uses dual-channel to extract embeddings from node features and topological structures, and then achieves reliable low-confidence and high-confidence samples selection based on dual-channel consistency. We further confirmed that the low-confidence samples obtained based on dual-channel consistency were low in accuracy, constraining the model's performance. Unlike previous studies ignoring low-confidence samples, we calibrate the feature embeddings of the low-confidence samples by using the neighborhood's high-confidence samples. Our experiments have shown that the DCC-GCN can more accurately distinguish between low-confidence and high-confidence samples, and can also significantly improve the accuracy of low-confidence samples. We conducted extensive experiments on the benchmark datasets and demonstrated that DCC-GCN is significantly better than state-of-the-art baselines at different label rates.
Graph neural networks (GNNs) have achieved state-of-the-art performance in many graph-based tasks such as node classification and graph classification. However, many recent works have demonstrated that an attacker can mislead GNN models by slightly perturbing the graph structure. Existing attacks to GNNs are either under the less practical threat model where the attacker is assumed to access the GNN model parameters, or under the practical black-box threat model but consider perturbing node features that are shown to be not enough effective. In this paper, we aim to bridge this gap and consider black-box attacks to GNNs with structure perturbation as well as with theoretical guarantees. We propose to address this challenge through bandit techniques. Specifically, we formulate our attack as an online optimization with bandit feedback. This original problem is essentially NP-hard due to the fact that perturbing the graph structure is a binary optimization problem. We then propose an online attack based on bandit optimization which is proven to be {sublinear} to the query number $T$, i.e., $\mathcal{O}(\sqrt{N}T^{3/4})$ where $N$ is the number of nodes in the graph. Finally, we evaluate our proposed attack by conducting experiments over multiple datasets and GNN models. The experimental results on various citation graphs and image graphs show that our attack is both effective and efficient. Source code is available at~\url{https://github.com/Metaoblivion/Bandit_GNN_Attack}
Graph Neural Networks (GNNs) have achieved tremendous success in a variety of real-world applications by relying on the fixed graph data as input. However, the initial input graph might not be optimal in terms of specific downstream tasks, because of information scarcity, noise, adversarial attacks, or discrepancies between the distribution in graph topology, features, and groundtruth labels. In this paper, we propose a bi-level optimization approach for learning the optimal graph structure via directly learning the Personalized PageRank propagation matrix as well as the downstream semi-supervised node classification simultaneously. We also explore a low-rank approximation model for further reducing the time complexity. Empirical evaluations show the superior efficacy and robustness of the proposed model over all baseline methods.
Classification tasks on labeled graph-structured data have many important applications ranging from social recommendation to financial modeling. Deep neural networks are increasingly being used for node classification on graphs, wherein nodes with similar features have to be given the same label. Graph convolutional networks (GCNs) are one such widely studied neural network architecture that perform well on this task. However, powerful link-stealing attacks on GCNs have recently shown that even with black-box access to the trained model, inferring which links (or edges) are present in the training graph is practical. In this paper, we present a new neural network architecture called LPGNet for training on graphs with privacy-sensitive edges. LPGNet provides differential privacy (DP) guarantees for edges using a novel design for how graph edge structure is used during training. We empirically show that LPGNet models often lie in the sweet spot between providing privacy and utility: They can offer better utility than "trivially" private architectures which use no edge information (e.g., vanilla MLPs) and better resilience against existing link-stealing attacks than vanilla GCNs which use the full edge structure. LPGNet also offers consistently better privacy-utility tradeoffs than DPGCN, which is the state-of-the-art mechanism for retrofitting differential privacy into conventional GCNs, in most of our evaluated datasets.
Node classification on graphs can be formulated as the Dirichlet problem on graphs where the signal is given at the labeled nodes, and the harmonic extension is done on the unlabeled nodes. This paper considers a time-dependent version of the Dirichlet problem on graphs and shows how to improve its solution by learning the proper initialization vector on the unlabeled nodes. Further, we show that the improved solution is at par with state-of-the-art methods used for node classification. Finally, we conclude this paper by discussing the importance of parameter t, pros, and future directions.
Graph contrastive learning (GCL), as a popular approach to graph self-supervised learning, has recently achieved a non-negligible effect. To achieve superior performance, the majority of existing GCL methods elaborate on graph data augmentation to construct appropriate contrastive pairs. However, existing methods place more emphasis on the complex graph data augmentation which requires extra time overhead, and pay less attention to developing contrastive schemes specific to encoder characteristics. We argue that a better contrastive scheme should be tailored to the characteristics of graph neural networks (e.g., neighborhood aggregation) and propose a simple yet effective method named FastGCL. Specifically, by constructing weighted-aggregated and non-aggregated neighborhood information as positive and negative samples respectively, FastGCL identifies the potential semantic information of data without disturbing the graph topology and node attributes, resulting in faster training and convergence speeds. Extensive experiments have been conducted on node classification and graph classification tasks, showing that FastGCL has competitive classification performance and significant training speedup compared to existing state-of-the-art methods.