A Survey on Hypergraph Neural Networks: An In-Depth and Step-By-Step Guide

Higher-order interactions (HOIs) are ubiquitous in real-world complex systems and applications, and thus investigation of deep learning for HOIs has become a valuable agenda for the data mining and machine learning communities. As networks of HOIs are expressed mathematically as hypergraphs, hypergraph neural networks (HNNs) have emerged as a powerful tool for representation learning on hypergraphs. Given the emerging trend, we present the first survey dedicated to HNNs, with an in-depth and step-by-step guide. Broadly, the present survey overviews HNN architectures, training strategies, and applications. First, we break existing HNNs down into four design components: (i) input features, (ii) input structures, (iii) message-passing schemes, and (iv) training strategies. Second, we examine how HNNs address and learn HOIs with each of their components. Third, we overview the recent applications of HNNs in recommendation, biological and medical science, time series analysis, and computer vision. Lastly, we conclude with a discussion on limitations and future directions.

HypeBoy: Generative Self-Supervised Representation Learning on Hypergraphs

Hypergraphs are marked by complex topology, expressing higher-order interactions among multiple nodes with hyperedges, and better capturing the topology is essential for effective representation learning. Recent advances in generative self-supervised learning (SSL) suggest that hypergraph neural networks learned from generative self supervision have the potential to effectively encode the complex hypergraph topology. Designing a generative SSL strategy for hypergraphs, however, is not straightforward. Questions remain with regard to its generative SSL task, connection to downstream tasks, and empirical properties of learned representations. In light of the promises and challenges, we propose a novel generative SSL strategy for hypergraphs. We first formulate a generative SSL task on hypergraphs, hyperedge filling, and highlight its theoretical connection to node classification. Based on the generative SSL task, we propose a hypergraph SSL method, HypeBoy. HypeBoy learns effective general-purpose hypergraph representations, outperforming 16 baseline methods across 11 benchmark datasets.

FlowerFormer: Empowering Neural Architecture Encoding using a Flow-aware Graph Transformer

The success of a specific neural network architecture is closely tied to the dataset and task it tackles; there is no one-size-fits-all solution. Thus, considerable efforts have been made to quickly and accurately estimate the performances of neural architectures, without full training or evaluation, for given tasks and datasets. Neural architecture encoding has played a crucial role in the estimation, and graphbased methods, which treat an architecture as a graph, have shown prominent performance. For enhanced representation learning of neural architectures, we introduce FlowerFormer, a powerful graph transformer that incorporates the information flows within a neural architecture. FlowerFormer consists of two key components: (a) bidirectional asynchronous message passing, inspired by the flows; (b) global attention built on flow-based masking. Our extensive experiments demonstrate the superiority of FlowerFormer over existing neural encoding methods, and its effectiveness extends beyond computer vision models to include graph neural networks and auto speech recognition models. Our code is available at http://github.com/y0ngjaenius/CVPR2024_FLOWERFormer.

SLADE: Detecting Dynamic Anomalies in Edge Streams without Labels via Self-Supervised Learning

To detect anomalies in real-world graphs, such as social, email, and financial networks, various approaches have been developed. While they typically assume static input graphs, most real-world graphs grow over time, naturally represented as edge streams. In this context, we aim to achieve three goals: (a) instantly detecting anomalies as they occur, (b) adapting to dynamically changing states, and (c) handling the scarcity of dynamic anomaly labels. In this paper, we propose SLADE (Self-supervised Learning for Anomaly Detection in Edge Streams) for rapid detection of dynamic anomalies in edge streams, without relying on labels. SLADE detects the shifts of nodes into abnormal states by observing deviations in their interaction patterns over time. To this end, it trains a deep neural network to perform two self-supervised tasks: (a) minimizing drift in node representations and (b) generating long-term interaction patterns from short-term ones. Failure in these tasks for a node signals its deviation from the norm. Notably, the neural network and tasks are carefully designed so that all required operations can be performed in constant time (w.r.t. the graph size) in response to each new edge in the input stream. In dynamic anomaly detection across four real-world datasets, SLADE outperforms nine competing methods, even those leveraging label supervision.

Self-Guided Robust Graph Structure Refinement

Recent studies have revealed that GNNs are vulnerable to adversarial attacks. To defend against such attacks, robust graph structure refinement (GSR) methods aim at minimizing the effect of adversarial edges based on node features, graph structure, or external information. However, we have discovered that existing GSR methods are limited by narrowassumptions, such as assuming clean node features, moderate structural attacks, and the availability of external clean graphs, resulting in the restricted applicability in real-world scenarios. In this paper, we propose a self-guided GSR framework (SG-GSR), which utilizes a clean sub-graph found within the given attacked graph itself. Furthermore, we propose a novel graph augmentation and a group-training strategy to handle the two technical challenges in the clean sub-graph extraction: 1) loss of structural information, and 2) imbalanced node degree distribution. Extensive experiments demonstrate the effectiveness of SG-GSR under various scenarios including non-targeted attacks, targeted attacks, feature attacks, e-commerce fraud, and noisy node labels. Our code is available at https://github.com/yeonjun-in/torch-SG-GSR.

Feature Distribution on Graph Topology Mediates the Effect of Graph Convolution: Homophily Perspective

How would randomly shuffling feature vectors among nodes from the same class affect graph neural networks (GNNs)? The feature shuffle, intuitively, perturbs the dependence between graph topology and features (A-X dependence) for GNNs to learn from. Surprisingly, we observe a consistent and significant improvement in GNN performance following the feature shuffle. Having overlooked the impact of A-X dependence on GNNs, the prior literature does not provide a satisfactory understanding of the phenomenon. Thus, we raise two research questions. First, how should A-X dependence be measured, while controlling for potential confounds? Second, how does A-X dependence affect GNNs? In response, we (i) propose a principled measure for A-X dependence, (ii) design a random graph model that controls A-X dependence, (iii) establish a theory on how A-X dependence relates to graph convolution, and (iv) present empirical analysis on real-world graphs that aligns with the theory. We conclude that A-X dependence mediates the effect of graph convolution, such that smaller dependence improves GNN-based node classification.

VITA: 'Carefully Chosen and Weighted Less' Is Better in Medication Recommendation

We address the medication recommendation problem, which aims to recommend effective medications for a patient's current visit by utilizing information (e.g., diagnoses and procedures) given at the patient's current and past visits. While there exist a number of recommender systems designed for this problem, we point out that they are challenged in accurately capturing the relation (spec., the degree of relevance) between the current and each of the past visits for the patient when obtaining her current health status, which is the basis for recommending medications. To address this limitation, we propose a novel medication recommendation framework, named VITA, based on the following two novel ideas: (1) relevant-Visit selectIon; (2) Target-aware Attention. Through extensive experiments using real-world datasets, we demonstrate the superiority of VITA (spec., up to 5.56% higher accuracy, in terms of Jaccard, than the best competitor) and the effectiveness of its two core ideas. The code is available at https://github.com/jhheo0123/VITA.

Robust Graph Clustering via Meta Weighting for Noisy Graphs

How can we find meaningful clusters in a graph robustly against noise edges? Graph clustering (i.e., dividing nodes into groups of similar ones) is a fundamental problem in graph analysis with applications in various fields. Recent studies have demonstrated that graph neural network (GNN) based approaches yield promising results for graph clustering. However, we observe that their performance degenerates significantly on graphs with noise edges, which are prevalent in practice. In this work, we propose MetaGC for robust GNN-based graph clustering. MetaGC employs a decomposable clustering loss function, which can be rephrased as a sum of losses over node pairs. We add a learnable weight to each node pair, and MetaGC adaptively adjusts the weights of node pairs using meta-weighting so that the weights of meaningful node pairs increase and the weights of less-meaningful ones (e.g., noise edges) decrease. We show empirically that MetaGC learns weights as intended and consequently outperforms the state-of-the-art GNN-based competitors, even when they are equipped with separate denoising schemes, on five real-world graphs under varying levels of noise. Our code and datasets are available at https://github.com/HyeonsooJo/MetaGC.

TensorCodec: Compact Lossy Compression of Tensors without Strong Data Assumptions

Many real-world datasets are represented as tensors, i.e., multi-dimensional arrays of numerical values. Storing them without compression often requires substantial space, which grows exponentially with the order. While many tensor compression algorithms are available, many of them rely on strong data assumptions regarding its order, sparsity, rank, and smoothness. In this work, we propose TENSORCODEC, a lossy compression algorithm for general tensors that do not necessarily adhere to strong input data assumptions. TENSORCODEC incorporates three key ideas. The first idea is Neural Tensor-Train Decomposition (NTTD) where we integrate a recurrent neural network into Tensor-Train Decomposition to enhance its expressive power and alleviate the limitations imposed by the low-rank assumption. Another idea is to fold the input tensor into a higher-order tensor to reduce the space required by NTTD. Finally, the mode indices of the input tensor are reordered to reveal patterns that can be exploited by NTTD for improved approximation. Our analysis and experiments on 8 real-world datasets demonstrate that TENSORCODEC is (a) Concise: it gives up to 7.38x more compact compression than the best competitor with similar reconstruction error, (b) Accurate: given the same budget for compressed size, it yields up to 3.33x more accurate reconstruction than the best competitor, (c) Scalable: its empirical compression time is linear in the number of tensor entries, and it reconstructs each entry in logarithmic time. Our code and datasets are available at https://github.com/kbrother/TensorCodec.