GrokFormer: Graph Fourier Kolmogorov-Arnold Transformers

Graph Transformers (GTs) have demonstrated remarkable performance in incorporating various graph structure information, e.g., long-range structural dependency, into graph representation learning. However, self-attention -- the core module of GTs -- preserves only low-frequency signals on graph features, retaining only homophilic patterns that capture similar features among the connected nodes. Consequently, it has insufficient capacity in modeling complex node label patterns, such as the opposite of homophilic patterns -- heterophilic patterns. Some improved GTs deal with the problem by learning polynomial filters or performing self-attention over the first-order graph spectrum. However, these GTs either ignore rich information contained in the whole spectrum or neglect higher-order spectrum information, resulting in limited flexibility and frequency response in their spectral filters. To tackle these challenges, we propose a novel GT network, namely Graph Fourier Kolmogorov-Arnold Transformers (GrokFormer), to go beyond the self-attention in GTs. GrokFormer leverages learnable activation functions in order-$K$ graph spectrum through Fourier series modeling to i) learn eigenvalue-targeted filter functions producing learnable base that can capture a broad range of frequency signals flexibly, and ii) extract first- and higher-order graph spectral information adaptively. In doing so, GrokFormer can effectively capture intricate patterns hidden across different orders and levels of frequency signals, learning expressive, order-and-frequency-adaptive graph representations. Comprehensive experiments conducted on 10 node classification datasets across various domains, scales, and levels of graph heterophily, as well as 5 graph classification datasets, demonstrate that GrokFormer outperforms state-of-the-art GTs and other advanced graph neural networks.

Zero-shot Generalist Graph Anomaly Detection with Unified Neighborhood Prompts

Graph anomaly detection (GAD), which aims to identify nodes in a graph that significantly deviate from normal patterns, plays a crucial role in broad application domains. Existing GAD methods, whether supervised or unsupervised, are one-model-for-one-dataset approaches, i.e., training a separate model for each graph dataset. This limits their applicability in real-world scenarios where training on the target graph data is not possible due to issues like data privacy. To overcome this limitation, we propose a novel zero-shot generalist GAD approach UNPrompt that trains a one-for-all detection model, requiring the training of one GAD model on a single graph dataset and then effectively generalizing to detect anomalies in other graph datasets without any retraining or fine-tuning. The key insight in UNPrompt is that i) the predictability of latent node attributes can serve as a generalized anomaly measure and ii) highly generalized normal and abnormal graph patterns can be learned via latent node attribute prediction in a properly normalized node attribute space. UNPrompt achieves generalist GAD through two main modules: one module aligns the dimensionality and semantics of node attributes across different graphs via coordinate-wise normalization in a projected space, while another module learns generalized neighborhood prompts that support the use of latent node attribute predictability as an anomaly score across different datasets. Extensive experiments on real-world GAD datasets show that UNPrompt significantly outperforms diverse competing methods under the generalist GAD setting, and it also has strong superiority under the one-model-for-one-dataset setting.

Deep Graph Anomaly Detection: A Survey and New Perspectives

Graph anomaly detection (GAD), which aims to identify unusual graph instances (nodes, edges, subgraphs, or graphs), has attracted increasing attention in recent years due to its significance in a wide range of applications. Deep learning approaches, graph neural networks (GNNs) in particular, have been emerging as a promising paradigm for GAD, owing to its strong capability in capturing complex structure and/or node attributes in graph data. Considering the large number of methods proposed for GNN-based GAD, it is of paramount importance to summarize the methodologies and findings in the existing GAD studies, so that we can pinpoint effective model designs for tackling open GAD problems. To this end, in this work we aim to present a comprehensive review of deep learning approaches for GAD. Existing GAD surveys are focused on task-specific discussions, making it difficult to understand the technical insights of existing methods and their limitations in addressing some unique challenges in GAD. To fill this gap, we first discuss the problem complexities and their resulting challenges in GAD, and then provide a systematic review of current deep GAD methods from three novel perspectives of methodology, including GNN backbone design, proxy task design for GAD, and graph anomaly measures. To deepen the discussions, we further propose a taxonomy of 13 fine-grained method categories under these three perspectives to provide more in-depth insights into the model designs and their capabilities. To facilitate the experiments and validation, we also summarize a collection of widely-used GAD datasets and empirical comparison. We further discuss multiple open problems to inspire more future high-quality research. A continuously updated repository for datasets, links to the codes of algorithms, and empirical comparison is available at https://github.com/mala-lab/Awesome-Deep-Graph-Anomaly-Detection.

Self-Supervised Spatial-Temporal Normality Learning for Time Series Anomaly Detection

Time Series Anomaly Detection (TSAD) finds widespread applications across various domains such as financial markets, industrial production, and healthcare. Its primary objective is to learn the normal patterns of time series data, thereby identifying deviations in test samples. Most existing TSAD methods focus on modeling data from the temporal dimension, while ignoring the semantic information in the spatial dimension. To address this issue, we introduce a novel approach, called Spatial-Temporal Normality learning (STEN). STEN is composed of a sequence Order prediction-based Temporal Normality learning (OTN) module that captures the temporal correlations within sequences, and a Distance prediction-based Spatial Normality learning (DSN) module that learns the relative spatial relations between sequences in a feature space. By synthesizing these two modules, STEN learns expressive spatial-temporal representations for the normal patterns hidden in the time series data. Extensive experiments on five popular TSAD benchmarks show that STEN substantially outperforms state-of-the-art competing methods. Our code is available at https://github.com/mala-lab/STEN.

DiTMoS: Delving into Diverse Tiny-Model Selection on Microcontrollers

Enabling efficient and accurate deep neural network (DNN) inference on microcontrollers is non-trivial due to the constrained on-chip resources. Current methodologies primarily focus on compressing larger models yet at the expense of model accuracy. In this paper, we rethink the problem from the inverse perspective by constructing small/weak models directly and improving their accuracy. Thus, we introduce DiTMoS, a novel DNN training and inference framework with a selector-classifiers architecture, where the selector routes each input sample to the appropriate classifier for classification. DiTMoS is grounded on a key insight: a composition of weak models can exhibit high diversity and the union of them can significantly boost the accuracy upper bound. To approach the upper bound, DiTMoS introduces three strategies including diverse training data splitting to increase the classifiers' diversity, adversarial selector-classifiers training to ensure synergistic interactions thereby maximizing their complementarity, and heterogeneous feature aggregation to improve the capacity of classifiers. We further propose a network slicing technique to alleviate the extra memory overhead incurred by feature aggregation. We deploy DiTMoS on the Neucleo STM32F767ZI board and evaluate it based on three time-series datasets for human activity recognition, keywords spotting, and emotion recognition, respectively. The experiment results manifest that: (a) DiTMoS achieves up to 13.4% accuracy improvement compared to the best baseline; (b) network slicing almost completely eliminates the memory overhead incurred by feature aggregation with a marginal increase of latency.

Generative Semi-supervised Graph Anomaly Detection

This work considers a practical semi-supervised graph anomaly detection (GAD) scenario, where part of the nodes in a graph are known to be normal, contrasting to the unsupervised setting in most GAD studies with a fully unlabeled graph. As expected, we find that having access to these normal nodes helps enhance the detection performance of existing unsupervised GAD methods when they are adapted to the semi-supervised setting. However, their utilization of these normal nodes is limited. In this paper, we propose a novel Generative GAD approach (GGAD) for the semi-supervised scenario to better exploit the normal nodes. The key idea is to generate outlier nodes that assimilate anomaly nodes in both local structure and node representations for providing effective negative node samples in training a discriminative one-class classifier. There have been many generative anomaly detection approaches, but they are designed for non-graph data, and as a result, they fail to take account of the graph structure information. Our approach tackles this problem by generating graph structure-aware outlier nodes that have asymmetric affinity separability from normal nodes while being enforced to achieve egocentric closeness to normal nodes in the node representation space. Comprehensive experiments on four real-world datasets are performed to establish a benchmark for semi-supervised GAD and show that GGAD substantially outperforms state-of-the-art unsupervised and semi-supervised GAD methods with varying numbers of training normal nodes. Code will be made available at https://github.com/mala-lab/GGAD.

Truncated Affinity Maximization: One-class Homophily Modeling for Graph Anomaly Detection

One prevalent property we find empirically in real-world graph anomaly detection (GAD) datasets is a one-class homophily, i.e., normal nodes tend to have strong connection/affinity with each other, while the homophily in abnormal nodes is significantly weaker than normal nodes. However, this anomaly-discriminative property is ignored by existing GAD methods that are typically built using a conventional anomaly detection objective, such as data reconstruction. In this work, we explore this property to introduce a novel unsupervised anomaly scoring measure for GAD -- local node affinity -- that assigns a larger anomaly score to nodes that are less affiliated with their neighbors, with the affinity defined as similarity on node attributes/representations. We further propose Truncated Affinity Maximization (TAM) that learns tailored node representations for our anomaly measure by maximizing the local affinity of nodes to their neighbors. Optimizing on the original graph structure can be biased by non-homophily edges (i.e., edges connecting normal and abnormal nodes). Thus, TAM is instead optimized on truncated graphs where non-homophily edges are removed iteratively to mitigate this bias. The learned representations result in significantly stronger local affinity for normal nodes than abnormal nodes. Extensive empirical results on six real-world GAD datasets show that TAM substantially outperforms seven competing models, achieving over 10% increase in AUROC/AUPRC compared to the best contenders on challenging datasets. Our code will be made available at https: //github.com/mala-lab/TAM-master/.