Understanding Community Bias Amplification in Graph Representation Learning

In this work, we discover a phenomenon of community bias amplification in graph representation learning, which refers to the exacerbation of performance bias between different classes by graph representation learning. We conduct an in-depth theoretical study of this phenomenon from a novel spectral perspective. Our analysis suggests that structural bias between communities results in varying local convergence speeds for node embeddings. This phenomenon leads to bias amplification in the classification results of downstream tasks. Based on the theoretical insights, we propose random graph coarsening, which is proved to be effective in dealing with the above issue. Finally, we propose a novel graph contrastive learning model called Random Graph Coarsening Contrastive Learning (RGCCL), which utilizes random coarsening as data augmentation and mitigates community bias by contrasting the coarsened graph with the original graph. Extensive experiments on various datasets demonstrate the advantage of our method when dealing with community bias amplification.

StructComp: Substituting propagation with Structural Compression in Training Graph Contrastive Learning

Graph contrastive learning (GCL) has become a powerful tool for learning graph data, but its scalability remains a significant challenge. In this work, we propose a simple yet effective training framework called Structural Compression (StructComp) to address this issue. Inspired by a sparse low-rank approximation on the diffusion matrix, StructComp trains the encoder with the compressed nodes. This allows the encoder not to perform any message passing during the training stage, and significantly reduces the number of sample pairs in the contrastive loss. We theoretically prove that the original GCL loss can be approximated with the contrastive loss computed by StructComp. Moreover, StructComp can be regarded as an additional regularization term for GCL models, resulting in a more robust encoder. Empirical studies on seven benchmark datasets show that StructComp greatly reduces the time and memory consumption while improving model performance compared to the vanilla GCL models and scalable training methods.

Adversarially Robust Distributed Count Tracking via Partial Differential Privacy

We study the distributed tracking model, also known as distributed functional monitoring. This model involves $k$ sites each receiving a stream of items and communicating with the central server. The server's task is to track a function of all items received thus far continuously, with minimum communication cost. For count tracking, it is known that there is a $\sqrt{k}$ gap in communication between deterministic and randomized algorithms. However, existing randomized algorithms assume an "oblivious adversary" who constructs the entire input streams before the algorithm starts. Here we consider adaptive adversaries who can choose new items based on previous answers from the algorithm. Deterministic algorithms are trivially robust to adaptive adversaries, while randomized ones may not. Therefore, we investigate whether the $\sqrt{k}$ advantage of randomized algorithms is from randomness itself or the oblivious adversary assumption. We provide an affirmative answer to this question by giving a robust algorithm with optimal communication. Existing robustification techniques do not yield optimal bounds due to the inherent challenges of the distributed nature of the problem. To address this, we extend the differential privacy framework by introducing "partial differential privacy" and proving a new generalization theorem. This theorem may have broader applications beyond robust count tracking, making it of independent interest.

Rethinking Semi-Supervised Imbalanced Node Classification from Bias-Variance Decomposition

This paper introduces a new approach to address the issue of class imbalance in graph neural networks (GNNs) for learning on graph-structured data. Our approach integrates imbalanced node classification and Bias-Variance Decomposition, establishing a theoretical framework that closely relates data imbalance to model variance. We also leverage graph augmentation technique to estimate the variance, and design a regularization term to alleviate the impact of imbalance. Exhaustive tests are conducted on multiple benchmarks, including naturally imbalanced datasets and public-split class-imbalanced datasets, demonstrating that our approach outperforms state-of-the-art methods in various imbalanced scenarios. This work provides a novel theoretical perspective for addressing the problem of imbalanced node classification in GNNs.

UNREAL:Unlabeled Nodes Retrieval and Labeling for Heavily-imbalanced Node Classification

Extremely skewed label distributions are common in real-world node classification tasks. If not dealt with appropriately, it significantly hurts the performance of GNNs in minority classes. Due to its practical importance, there have been a series of recent research devoted to this challenge. Existing over-sampling techniques smooth the label distribution by generating ``fake'' minority nodes and synthesizing their features and local topology, which largely ignore the rich information of unlabeled nodes on graphs. In this paper, we propose UNREAL, an iterative over-sampling method. The first key difference is that we only add unlabeled nodes instead of synthetic nodes, which eliminates the challenge of feature and neighborhood generation. To select which unlabeled nodes to add, we propose geometric ranking to rank unlabeled nodes. Geometric ranking exploits unsupervised learning in the node embedding space to effectively calibrates pseudo-label assignment. Finally, we identify the issue of geometric imbalance in the embedding space and provide a simple metric to filter out geometrically imbalanced nodes. Extensive experiments on real-world benchmark datasets are conducted, and the empirical results show that our method significantly outperforms current state-of-the-art methods consistent on different datasets with different imbalance ratios.

ReFresh: Reducing Memory Access from Exploiting Stable Historical Embeddings for Graph Neural Network Training

A key performance bottleneck when training graph neural network (GNN) models on large, real-world graphs is loading node features onto a GPU. Due to limited GPU memory, expensive data movement is necessary to facilitate the storage of these features on alternative devices with slower access (e.g. CPU memory). Moreover, the irregularity of graph structures contributes to poor data locality which further exacerbates the problem. Consequently, existing frameworks capable of efficiently training large GNN models usually incur a significant accuracy degradation because of the inevitable shortcuts involved. To address these limitations, we instead propose ReFresh, a general-purpose GNN mini-batch training framework that leverages a historical cache for storing and reusing GNN node embeddings instead of re-computing them through fetching raw features at every iteration. Critical to its success, the corresponding cache policy is designed, using a combination of gradient-based and staleness criteria, to selectively screen those embeddings which are relatively stable and can be cached, from those that need to be re-computed to reduce estimation errors and subsequent downstream accuracy loss. When paired with complementary system enhancements to support this selective historical cache, ReFresh is able to accelerate the training speed on large graph datasets such as ogbn-papers100M and MAG240M by 4.6x up to 23.6x and reduce the memory access by 64.5% (85.7% higher than a raw feature cache), with less than 1% influence on test accuracy.

ASGNN: Graph Neural Networks with Adaptive Structure

The graph neural network (GNN) models have presented impressive achievements in numerous machine learning tasks. However, many existing GNN models are shown to be vulnerable to adversarial attacks, which creates a stringent need to build robust GNN architectures. In this work, we propose a novel interpretable message passing scheme with adaptive structure (ASMP) to defend against adversarial attacks on graph structure. Layers in ASMP are derived based on optimization steps that minimize an objective function that learns the node feature and the graph structure simultaneously. ASMP is adaptive in the sense that the message passing process in different layers is able to be carried out over dynamically adjusted graphs. Such property allows more fine-grained handling of the noisy (or perturbed) graph structure and hence improves the robustness. Convergence properties of the ASMP scheme are theoretically established. Integrating ASMP with neural networks can lead to a new family of GNN models with adaptive structure (ASGNN). Extensive experiments on semi-supervised node classification tasks demonstrate that the proposed ASGNN outperforms the state-of-the-art GNN architectures in terms of classification performance under various adversarial attacks.

Optimal Clustering with Noisy Queries via Multi-Armed Bandit

Motivated by many applications, we study clustering with a faulty oracle. In this problem, there are $n$ items belonging to $k$ unknown clusters, and the algorithm is allowed to ask the oracle whether two items belong to the same cluster or not. However, the answer from the oracle is correct only with probability $\frac{1}{2}+\frac{\delta}{2}$. The goal is to recover the hidden clusters with minimum number of noisy queries. Previous works have shown that the problem can be solved with $O(\frac{nk\log n}{\delta^2} + \text{poly}(k,\frac{1}{\delta}, \log n))$ queries, while $\Omega(\frac{nk}{\delta^2})$ queries is known to be necessary. So, for any values of $k$ and $\delta$, there is still a non-trivial gap between upper and lower bounds. In this work, we obtain the first matching upper and lower bounds for a wide range of parameters. In particular, a new polynomial time algorithm with $O(\frac{n(k+\log n)}{\delta^2} + \text{poly}(k,\frac{1}{\delta}, \log n))$ queries is proposed. Moreover, we prove a new lower bound of $\Omega(\frac{n\log n}{\delta^2})$, which, combined with the existing $\Omega(\frac{nk}{\delta^2})$ bound, matches our upper bound up to an additive $\text{poly}(k,\frac{1}{\delta},\log n)$ term. To obtain the new results, our main ingredient is an interesting connection between our problem and multi-armed bandit, which might provide useful insights for other similar problems.

Transformers from an Optimization Perspective

Deep learning models such as the Transformer are often constructed by heuristics and experience. To provide a complementary foundation, in this work we study the following problem: Is it possible to find an energy function underlying the Transformer model, such that descent steps along this energy correspond with the Transformer forward pass? By finding such a function, we can reinterpret Transformers as the unfolding of an interpretable optimization process across iterations. This unfolding perspective has been frequently adopted in the past to elucidate more straightforward deep models such as MLPs and CNNs; however, it has thus far remained elusive obtaining a similar equivalence for more complex models with self-attention mechanisms like the Transformer. To this end, we first outline several major obstacles before providing companion techniques to at least partially address them, demonstrating for the first time a close association between energy function minimization and deep layers with self-attention. This interpretation contributes to our intuition and understanding of Transformers, while potentially laying the ground-work for new model designs.

BSAL: A Framework of Bi-component Structure and Attribute Learning for Link Prediction

Given the ubiquitous existence of graph-structured data, learning the representations of nodes for the downstream tasks ranging from node classification, link prediction to graph classification is of crucial importance. Regarding missing link inference of diverse networks, we revisit the link prediction techniques and identify the importance of both the structural and attribute information. However, the available techniques either heavily count on the network topology which is spurious in practice or cannot integrate graph topology and features properly. To bridge the gap, we propose a bicomponent structural and attribute learning framework (BSAL) that is designed to adaptively leverage information from topology and feature spaces. Specifically, BSAL constructs a semantic topology via the node attributes and then gets the embeddings regarding the semantic view, which provides a flexible and easy-to-implement solution to adaptively incorporate the information carried by the node attributes. Then the semantic embedding together with topology embedding is fused together using an attention mechanism for the final prediction. Extensive experiments show the superior performance of our proposal and it significantly outperforms baselines on diverse research benchmarks.