Graph Condensation for Graph Neural Networks

Given the prevalence of large-scale graphs in real-world applications, the storage and time for training neural models have raised increasing concerns. To alleviate the concerns, we propose and study the problem of graph condensation for graph neural networks (GNNs). Specifically, we aim to condense the large, original graph into a small, synthetic and highly-informative graph, such that GNNs trained on the small graph and large graph have comparable performance. We approach the condensation problem by imitating the GNN training trajectory on the original graph through the optimization of a gradient matching loss and design a strategy to condense node futures and structural information simultaneously. Extensive experiments have demonstrated the effectiveness of the proposed framework in condensing different graph datasets into informative smaller graphs. In particular, we are able to approximate the original test accuracy by 95.3% on Reddit, 99.8% on Flickr and 99.0% on Citeseer, while reducing their graph size by more than 99.9%, and the condensed graphs can be used to train various GNN architectures.

From Stars to Subgraphs: Uplifting Any GNN with Local Structure Awareness

Message Passing Neural Networks (MPNNs) are a common type of Graph Neural Network (GNN), in which each node's representation is computed recursively by aggregating representations (messages) from its immediate neighbors akin to a star-shaped pattern. MPNNs are appealing for being efficient and scalable, how-ever their expressiveness is upper-bounded by the 1st-order Weisfeiler-Lehman isomorphism test (1-WL). In response, prior works propose highly expressive models at the cost of scalability and sometimes generalization performance. Our work stands between these two regimes: we introduce a general framework to uplift any MPNN to be more expressive, with limited scalability overhead and greatly improved practical performance. We achieve this by extending local aggregation in MPNNs from star patterns to general subgraph patterns (e.g.,k-egonets):in our framework, each node representation is computed as the encoding of a surrounding induced subgraph rather than encoding of immediate neighbors only (i.e. a star). We choose the subgraph encoder to be a GNN (mainly MPNNs, considering scalability) to design a general framework that serves as a wrapper to up-lift any GNN. We call our proposed method GNN-AK(GNN As Kernel), as the framework resembles a convolutional neural network by replacing the kernel with GNNs. Theoretically, we show that our framework is strictly more powerful than 1&2-WL, and is not less powerful than 3-WL. We also design subgraph sampling strategies which greatly reduce memory footprint and improve speed while maintaining performance. Our method sets new state-of-the-art performance by large margins for several well-known graph ML tasks; specifically, 0.08 MAE on ZINC,74.79% and 86.887% accuracy on CIFAR10 and PATTERN respectively.

Automated Self-Supervised Learning for Graphs

Graph self-supervised learning has gained increasing attention due to its capacity to learn expressive node representations. Many pretext tasks, or loss functions have been designed from distinct perspectives. However, we observe that different pretext tasks affect downstream tasks differently cross datasets, which suggests that searching pretext tasks is crucial for graph self-supervised learning. Different from existing works focusing on designing single pretext tasks, this work aims to investigate how to automatically leverage multiple pretext tasks effectively. Nevertheless, evaluating representations derived from multiple pretext tasks without direct access to ground truth labels makes this problem challenging. To address this obstacle, we make use of a key principle of many real-world graphs, i.e., homophily, or the principle that ``like attracts like,'' as the guidance to effectively search various self-supervised pretext tasks. We provide theoretical understanding and empirical evidence to justify the flexibility of homophily in this search task. Then we propose the AutoSSL framework which can automatically search over combinations of various self-supervised tasks. By evaluating the framework on 7 real-world datasets, our experimental results show that AutoSSL can significantly boost the performance on downstream tasks including node clustering and node classification compared with training under individual tasks. Code will be released at https://github.com/ChandlerBang/AutoSSL.

Is Homophily a Necessity for Graph Neural Networks?

Graph neural networks (GNNs) have shown great prowess in learning representations suitable for numerous graph-based machine learning tasks. When applied to semi-supervised node classification, GNNs are widely believed to work well due to the homophily assumption (``like attracts like''), and fail to generalize to heterophilous graphs where dissimilar nodes connect. Recent works design new architectures to overcome such heterophily-related limitations, citing poor baseline performance and new architecture improvements on a few heterophilous graph benchmark datasets as evidence for this notion. In our experiments, we empirically find that standard graph convolutional networks (GCNs) can actually achieve better performance than such carefully designed methods on some commonly used heterophilous graphs. This motivates us to reconsider whether homophily is truly necessary for good GNN performance. We find that this claim is not quite true, and in fact, GCNs can achieve strong performance on heterophilous graphs under certain conditions. Our work carefully characterizes these conditions, and provides supporting theoretical understanding and empirical observations. Finally, we examine existing heterophilous graphs benchmarks and reconcile how the GCN (under)performs on them based on this understanding.

KNH: Multi-View Modeling with K-Nearest Hyperplanes Graph for Misinformation Detection

Graphs are one of the most efficacious structures for representing datapoints and their relations, and they have been largely exploited for different applications. Previously, the higher-order relations between the nodes have been modeled by a generalization of graphs known as hypergraphs. In hypergraphs, the edges are defined by a set of nodes i.e., hyperedges to demonstrate the higher order relationships between the data. However, there is no explicit higher-order generalization for nodes themselves. In this work, we introduce a novel generalization of graphs i.e., K-Nearest Hyperplanes graph (KNH) where the nodes are defined by higher order Euclidean subspaces for multi-view modeling of the nodes. In fact, in KNH, nodes are hyperplanes or more precisely m-flats instead of datapoints. We experimentally evaluate the KNH graph on two multi-aspect datasets for misinformation detection. The experimental results suggest that multi-view modeling of articles using KNH graph outperforms the classic KNN graph in terms of classification performance.

Identifying Misinformation from Website Screenshots

Can the look and the feel of a website give information about the trustworthiness of an article? In this paper, we propose to use a promising, yet neglected aspect in detecting the misinformativeness: the overall look of the domain webpage. To capture this overall look, we take screenshots of news articles served by either misinformative or trustworthy web domains and leverage a tensor decomposition based semi-supervised classification technique. The proposed approach i.e., VizFake is insensitive to a number of image transformations such as converting the image to grayscale, vectorizing the image and losing some parts of the screenshots. VizFake leverages a very small amount of known labels, mirroring realistic and practical scenarios, where labels (especially for known misinformative articles), are scarce and quickly become dated. The F1 score of VizFake on a dataset of 50k screenshots of news articles spanning more than 500 domains is roughly 85% using only 5% of ground truth labels. Furthermore, tensor representations of VizFake, obtained in an unsupervised manner, allow for exploratory analysis of the data that provides valuable insights into the problem. Finally, we compare VizFake with deep transfer learning, since it is a very popular black-box approach for image classification and also well-known text text-based methods. VizFake achieves competitive accuracy with deep transfer learning models while being two orders of magnitude faster and not requiring laborious hyper-parameter tuning.

FAIROD: Fairness-aware Outlier Detection

Fairness and Outlier Detection (OD) are closely related, as it is exactly the goal of OD to spot rare, minority samples in a given population. When being a minority (as defined by protected variables, e.g. race/ethnicity/sex/age) does not reflect positive-class membership (e.g. criminal/fraud), however, OD produces unjust outcomes. Surprisingly, fairness-aware OD has been almost untouched in prior work, as fair machine learning literature mainly focus on supervised settings. Our work aims to bridge this gap. Specifically, we develop desiderata capturing well-motivated fairness criteria for OD, and systematically formalize the fair OD problem. Further, guided by our desiderata, we propose FairOD, a fairness-aware outlier detector, which has the following, desirable properties: FairOD (1) does not employ disparate treatment at test time, (2) aims to flag equal proportions of samples from all groups (i.e. obtain group fairness, via statistical parity), and (3) strives to flag truly high-risk fraction of samples within each group. Extensive experiments on a diverse set of synthetic and real world datasets show that FairOD produces outcomes that are fair with respect to protected variables, while performing comparable to (and in some cases, even better than) fairness-agnostic detectors in terms of detection performance.

The Devil is in the Details: Evaluating Limitations of Transformer-based Methods for Granular Tasks

Contextual embeddings derived from transformer-based neural language models have shown state-of-the-art performance for various tasks such as question answering, sentiment analysis, and textual similarity in recent years. Extensive work shows how accurately such models can represent abstract, semantic information present in text. In this expository work, we explore a tangent direction and analyze such models' performance on tasks that require a more granular level of representation. We focus on the problem of textual similarity from two perspectives: matching documents on a granular level (requiring embeddings to capture fine-grained attributes in the text), and an abstract level (requiring embeddings to capture overall textual semantics). We empirically demonstrate, across two datasets from different domains, that despite high performance in abstract document matching as expected, contextual embeddings are consistently (and at times, vastly) outperformed by simple baselines like TF-IDF for more granular tasks. We then propose a simple but effective method to incorporate TF-IDF into models that use contextual embeddings, achieving relative improvements of up to 36% on granular tasks.

A Unified View on Graph Neural Networks as Graph Signal Denoising

Graph Neural Networks (GNNs) have risen to prominence in learning representations for graph structured data. A single GNN layer typically consists of a feature transformation and a feature aggregation operation. The former normally uses feed-forward networks to transform features, while the latter aggregates the transformed features over the graph. Numerous recent works have proposed GNN models with different designs in the aggregation operation. In this work, we establish mathematically that the aggregation processes in a group of representative GNN models including GCN, GAT, PPNP, and APPNP can be regarded as (approximately) solving a graph denoising problem with a smoothness assumption. Such a unified view across GNNs not only provides a new perspective to understand a variety of aggregation operations but also enables us to develop a unified graph neural network framework UGNN. To demonstrate its promising potential, we instantiate a novel GNN model, ADA-UGNN, derived from UGNN, to handle graphs with adaptive smoothness across nodes. Comprehensive experiments show the effectiveness of ADA-UGNN.