Feature Overcorrelation in Deep Graph Neural Networks: A New Perspective

Recent years have witnessed remarkable success achieved by graph neural networks (GNNs) in many real-world applications such as recommendation and drug discovery. Despite the success, oversmoothing has been identified as one of the key issues which limit the performance of deep GNNs. It indicates that the learned node representations are highly indistinguishable due to the stacked aggregators. In this paper, we propose a new perspective to look at the performance degradation of deep GNNs, i.e., feature overcorrelation. Through empirical and theoretical study on this matter, we demonstrate the existence of feature overcorrelation in deeper GNNs and reveal potential reasons leading to this issue. To reduce the feature correlation, we propose a general framework DeCorr which can encourage GNNs to encode less redundant information. Extensive experiments have demonstrated that DeCorr can help enable deeper GNNs and is complementary to existing techniques tackling the oversmoothing issue.

Alternately Optimized Graph Neural Networks

Graph Neural Networks (GNNs) have demonstrated powerful representation capability in numerous graph-based tasks. Specifically, the decoupled structures of GNNs such as APPNP become popular due to their simplicity and performance advantages. However, the end-to-end training of these GNNs makes them inefficient in computation and memory consumption. In order to deal with these limitations, in this work, we propose an alternating optimization framework for graph neural networks that does not require end-to-end training. Extensive experiments under different settings demonstrate that the performance of the proposed algorithm is comparable to existing state-of-the-art algorithms but has significantly better computation and memory efficiency. Additionally, we show that our framework can be taken advantage to enhance existing decoupled GNNs.

Defense Against Gradient Leakage Attacks via Learning to Obscure Data

Federated learning is considered as an effective privacy-preserving learning mechanism that separates the client's data and model training process. However, federated learning is still under the risk of privacy leakage because of the existence of attackers who deliberately conduct gradient leakage attacks to reconstruct the client data. Recently, popular strategies such as gradient perturbation methods and input encryption methods have been proposed to defend against gradient leakage attacks. Nevertheless, these defenses can either greatly sacrifice the model performance, or be evaded by more advanced attacks. In this paper, we propose a new defense method to protect the privacy of clients' data by learning to obscure data. Our defense method can generate synthetic samples that are totally distinct from the original samples, but they can also maximally preserve their predictive features and guarantee the model performance. Furthermore, our defense strategy makes the gradient leakage attack and its variants extremely difficult to reconstruct the client data. Through extensive experiments, we show that our proposed defense method obtains better privacy protection while preserving high accuracy compared with state-of-the-art methods.

Are Graph Neural Networks Really Helpful for Knowledge Graph Completion?

Knowledge graphs (KGs) facilitate a wide variety of applications due to their ability to store relational knowledge applicable to many areas. Despite great efforts invested in creation and maintenance, even the largest KGs are far from complete. Hence, KG completion (KGC) has become one of the most crucial tasks for KG research. Recently, considerable literature in this space has centered around the use of Graph Neural Networks (GNNs) to learn powerful embeddings which leverage topological structures in the KGs. Specifically, dedicated efforts have been made to extend GNNs, which are commonly designed for simple homogeneous and uni-relational graphs, to the KG context which has diverse and multi-relational connections between entities, by designing more complex aggregation schemes over neighboring nodes (crucial to GNN performance) to appropriately leverage multi-relational information. The success of these methods is naturally attributed to the use of GNNs over simpler multi-layer perceptron (MLP) models, owing to their additional aggregation functionality. In this work, we find that surprisingly, simple MLP models are able to achieve comparable performance to GNNs, suggesting that aggregation may not be as crucial as previously believed. With further exploration, we show careful scoring function and loss function design has a much stronger influence on KGC model performance, and aggregation is not practically required. This suggests a conflation of scoring function design, loss function design, and aggregation in prior work, with promising insights regarding the scalability of state-of-the-art KGC methods today, as well as careful attention to more suitable aggregation designs for KGC tasks tomorrow.

Enhancing Adversarial Training with Feature Separability

Deep Neural Network (DNN) are vulnerable to adversarial attacks. As a countermeasure, adversarial training aims to achieve robustness based on the min-max optimization problem and it has shown to be one of the most effective defense strategies. However, in this work, we found that compared with natural training, adversarial training fails to learn better feature representations for either clean or adversarial samples, which can be one reason why adversarial training tends to have severe overfitting issues and less satisfied generalize performance. Specifically, we observe two major shortcomings of the features learned by existing adversarial training methods:(1) low intra-class feature similarity; and (2) conservative inter-classes feature variance. To overcome these shortcomings, we introduce a new concept of adversarial training graph (ATG) with which the proposed adversarial training with feature separability (ATFS) enables to coherently boost the intra-class feature similarity and increase inter-class feature variance. Through comprehensive experiments, we demonstrate that the proposed ATFS framework significantly improves both clean and robust performance.

A Comprehensive Survey on Trustworthy Graph Neural Networks: Privacy, Robustness, Fairness, and Explainability

Graph Neural Networks (GNNs) have made rapid developments in the recent years. Due to their great ability in modeling graph-structured data, GNNs are vastly used in various applications, including high-stakes scenarios such as financial analysis, traffic predictions, and drug discovery. Despite their great potential in benefiting humans in the real world, recent study shows that GNNs can leak private information, are vulnerable to adversarial attacks, can inherit and magnify societal bias from training data and lack interpretability, which have risk of causing unintentional harm to the users and society. For example, existing works demonstrate that attackers can fool the GNNs to give the outcome they desire with unnoticeable perturbation on training graph. GNNs trained on social networks may embed the discrimination in their decision process, strengthening the undesirable societal bias. Consequently, trustworthy GNNs in various aspects are emerging to prevent the harm from GNN models and increase the users' trust in GNNs. In this paper, we give a comprehensive survey of GNNs in the computational aspects of privacy, robustness, fairness, and explainability. For each aspect, we give the taxonomy of the related methods and formulate the general frameworks for the multiple categories of trustworthy GNNs. We also discuss the future research directions of each aspect and connections between these aspects to help achieve trustworthiness.

Graph Enhanced BERT for Query Understanding

Query understanding plays a key role in exploring users' search intents and facilitating users to locate their most desired information. However, it is inherently challenging since it needs to capture semantic information from short and ambiguous queries and often requires massive task-specific labeled data. In recent years, pre-trained language models (PLMs) have advanced various natural language processing tasks because they can extract general semantic information from large-scale corpora. Therefore, there are unprecedented opportunities to adopt PLMs for query understanding. However, there is a gap between the goal of query understanding and existing pre-training strategies -- the goal of query understanding is to boost search performance while existing strategies rarely consider this goal. Thus, directly applying them to query understanding is sub-optimal. On the other hand, search logs contain user clicks between queries and urls that provide rich users' search behavioral information on queries beyond their content. Therefore, in this paper, we aim to fill this gap by exploring search logs. In particular, to incorporate search logs into pre-training, we first construct a query graph where nodes are queries and two queries are connected if they lead to clicks on the same urls. Then we propose a novel graph-enhanced pre-training framework, GE-BERT, which can leverage both query content and the query graph. In other words, GE-BERT can capture both the semantic information and the users' search behavioral information of queries. Extensive experiments on various query understanding tasks have demonstrated the effectiveness of the proposed framework.

Graph Neural Networks for Multimodal Single-Cell Data Integration

Recent advances in multimodal single-cell technologies have enabled simultaneous acquisitions of multiple omics data from the same cell, providing deeper insights into cellular states and dynamics. However, it is challenging to learn the joint representations from the multimodal data, model the relationship between modalities, and, more importantly, incorporate the vast amount of single-modality datasets into the downstream analyses. To address these challenges and correspondingly facilitate multimodal single-cell data analyses, three key tasks have been introduced: $\textit{modality prediction}$, $\textit{modality matching}$ and $\textit{joint embedding}$. In this work, we present a general Graph Neural Network framework $\textit{scMoGNN}$ to tackle these three tasks and show that $\textit{scMoGNN}$ demonstrates superior results in all three tasks compared with the state-of-the-art and conventional approaches. Our method is an official winner in the overall ranking of $\textit{modality prediction}$ from $\href{https://openproblems.bio/neurips_2021/}{\textit{NeurIPS 2021 Competition}}$.

An Adaptive Graph Pre-training Framework for Localized Collaborative Filtering

Graph neural networks (GNNs) have been widely applied in the recommendation tasks and have obtained very appealing performance. However, most GNN-based recommendation methods suffer from the problem of data sparsity in practice. Meanwhile, pre-training techniques have achieved great success in mitigating data sparsity in various domains such as natural language processing (NLP) and computer vision (CV). Thus, graph pre-training has the great potential to alleviate data sparsity in GNN-based recommendations. However, pre-training GNNs for recommendations face unique challenges. For example, user-item interaction graphs in different recommendation tasks have distinct sets of users and items, and they often present different properties. Therefore, the successful mechanisms commonly used in NLP and CV to transfer knowledge from pre-training tasks to downstream tasks such as sharing learned embeddings or feature extractors are not directly applicable to existing GNN-based recommendations models. To tackle these challenges, we delicately design an adaptive graph pre-training framework for localized collaborative filtering (ADAPT). It does not require transferring user/item embeddings, and is able to capture both the common knowledge across different graphs and the uniqueness for each graph. Extensive experimental results have demonstrated the effectiveness and superiority of ADAPT.

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.