Demystifying Structural Disparity in Graph Neural Networks: Can One Size Fit All?

Recent studies on Graph Neural Networks(GNNs) provide both empirical and theoretical evidence supporting their effectiveness in capturing structural patterns on both homophilic and certain heterophilic graphs. Notably, most real-world homophilic and heterophilic graphs are comprised of a mixture of nodes in both homophilic and heterophilic structural patterns, exhibiting a structural disparity. However, the analysis of GNN performance with respect to nodes exhibiting different structural patterns, e.g., homophilic nodes in heterophilic graphs, remains rather limited. In the present study, we provide evidence that Graph Neural Networks(GNNs) on node classification typically perform admirably on homophilic nodes within homophilic graphs and heterophilic nodes within heterophilic graphs while struggling on the opposite node set, exhibiting a performance disparity. We theoretically and empirically identify effects of GNNs on testing nodes exhibiting distinct structural patterns. We then propose a rigorous, non-i.i.d PAC-Bayesian generalization bound for GNNs, revealing reasons for the performance disparity, namely the aggregated feature distance and homophily ratio difference between training and testing nodes. Furthermore, we demonstrate the practical implications of our new findings via (1) elucidating the effectiveness of deeper GNNs; and (2) revealing an over-looked distribution shift factor on graph out-of-distribution problem and proposing a new scenario accordingly.

MParrotTTS: Multilingual Multi-speaker Text to Speech Synthesis in Low Resource Setting

We present MParrotTTS, a unified multilingual, multi-speaker text-to-speech (TTS) synthesis model that can produce high-quality speech. Benefiting from a modularized training paradigm exploiting self-supervised speech representations, MParrotTTS adapts to a new language with minimal supervised data and generalizes to languages not seen while training the self-supervised backbone. Moreover, without training on any bilingual or parallel examples, MParrotTTS can transfer voices across languages while preserving the speaker-specific characteristics, e.g., synthesizing fluent Hindi speech using a French speaker's voice and accent. We present extensive results on six languages in terms of speech naturalness and speaker similarity in parallel and cross-lingual synthesis. The proposed model outperforms the state-of-the-art multilingual TTS models and baselines, using only a small fraction of supervised training data. Speech samples from our model can be found at https://paper2438.github.io/tts/

Link Prediction with Non-Contrastive Learning

A recent focal area in the space of graph neural networks (GNNs) is graph self-supervised learning (SSL), which aims to derive useful node representations without labeled data. Notably, many state-of-the-art graph SSL methods are contrastive methods, which use a combination of positive and negative samples to learn node representations. Owing to challenges in negative sampling (slowness and model sensitivity), recent literature introduced non-contrastive methods, which instead only use positive samples. Though such methods have shown promising performance in node-level tasks, their suitability for link prediction tasks, which are concerned with predicting link existence between pairs of nodes (and have broad applicability to recommendation systems contexts) is yet unexplored. In this work, we extensively evaluate the performance of existing non-contrastive methods for link prediction in both transductive and inductive settings. While most existing non-contrastive methods perform poorly overall, we find that, surprisingly, BGRL generally performs well in transductive settings. However, it performs poorly in the more realistic inductive settings where the model has to generalize to links to/from unseen nodes. We find that non-contrastive models tend to overfit to the training graph and use this analysis to propose T-BGRL, a novel non-contrastive framework that incorporates cheap corruptions to improve the generalization ability of the model. This simple modification strongly improves inductive performance in 5/6 of our datasets, with up to a 120% improvement in Hits@50--all with comparable speed to other non-contrastive baselines and up to 14x faster than the best-performing contrastive baseline. Our work imparts interesting findings about non-contrastive learning for link prediction and paves the way for future researchers to further expand upon this area.

Linkless Link Prediction via Relational Distillation

Graph Neural Networks (GNNs) have been widely used on graph data and have shown exceptional performance in the task of link prediction. Despite their effectiveness, GNNs often suffer from high latency due to non-trivial neighborhood data dependency in practical deployments. To address this issue, researchers have proposed methods based on knowledge distillation (KD) to transfer the knowledge from teacher GNNs to student MLPs, which are known to be efficient even with industrial scale data, and have shown promising results on node classification. Nonetheless, using KD to accelerate link prediction is still unexplored. In this work, we start with exploring two direct analogs of traditional KD for link prediction, i.e., predicted logit-based matching and node representation-based matching. Upon observing direct KD analogs do not perform well for link prediction, we propose a relational KD framework, Linkless Link Prediction (LLP). Unlike simple KD methods that match independent link logits or node representations, LLP distills relational knowledge that is centered around each (anchor) node to the student MLP. Specifically, we propose two matching strategies that complement each other: rank-based matching and distribution-based matching. Extensive experiments demonstrate that LLP boosts the link prediction performance of MLPs with significant margins, and even outperforms the teacher GNNs on 6 out of 9 benchmarks. LLP also achieves a 776.37x speedup in link prediction inference compared to GNNs on the large scale OGB-Citation2 dataset.

A Practical, Progressively-Expressive GNN

Message passing neural networks (MPNNs) have become a dominant flavor of graph neural networks (GNNs) in recent years. Yet, MPNNs come with notable limitations; namely, they are at most as powerful as the 1-dimensional Weisfeiler-Leman (1-WL) test in distinguishing graphs in a graph isomorphism testing frame-work. To this end, researchers have drawn inspiration from the k-WL hierarchy to develop more expressive GNNs. However, current k-WL-equivalent GNNs are not practical for even small values of k, as k-WL becomes combinatorially more complex as k grows. At the same time, several works have found great empirical success in graph learning tasks without highly expressive models, implying that chasing expressiveness with a coarse-grained ruler of expressivity like k-WL is often unneeded in practical tasks. To truly understand the expressiveness-complexity tradeoff, one desires a more fine-grained ruler, which can more gradually increase expressiveness. Our work puts forth such a proposal: Namely, we first propose the (k, c)(<=)-SETWL hierarchy with greatly reduced complexity from k-WL, achieved by moving from k-tuples of nodes to sets with <=k nodes defined over <=c connected components in the induced original graph. We show favorable theoretical results for this model in relation to k-WL, and concretize it via (k, c)(<=)-SETGNN, which is as expressive as (k, c)(<=)-SETWL. Our model is practical and progressively-expressive, increasing in power with k and c. We demonstrate effectiveness on several benchmark datasets, achieving several state-of-the-art results with runtime and memory usage applicable to practical graphs. We open source our implementation at https://github.com/LingxiaoShawn/KCSetGNN.

Forget Unlearning: Towards True Data-Deletion in Machine Learning

Unlearning has emerged as a technique to efficiently erase information of deleted records from learned models. We show, however, that the influence created by the original presence of a data point in the training set can still be detected after running certified unlearning algorithms (which can result in its reconstruction by an adversary). Thus, under realistic assumptions about the dynamics of model releases over time and in the presence of adaptive adversaries, we show that unlearning is not equivalent to data deletion and does not guarantee the "right to be forgotten." We then propose a more robust data-deletion guarantee and show that it is necessary to satisfy differential privacy to ensure true data deletion. Under our notion, we propose an accurate, computationally efficient, and secure data-deletion machine learning algorithm in the online setting based on noisy gradient descent algorithm.

Empowering Graph Representation Learning with Test-Time Graph Transformation

As powerful tools for representation learning on graphs, graph neural networks (GNNs) have facilitated various applications from drug discovery to recommender systems. Nevertheless, the effectiveness of GNNs is immensely challenged by issues related to data quality, such as distribution shift, abnormal features and adversarial attacks. Recent efforts have been made on tackling these issues from a modeling perspective which requires additional cost of changing model architectures or re-training model parameters. In this work, we provide a data-centric view to tackle these issues and propose a graph transformation framework named GTrans which adapts and refines graph data at test time to achieve better performance. We provide theoretical analysis on the design of the framework and discuss why adapting graph data works better than adapting the model. Extensive experiments have demonstrated the effectiveness of GTrans on three distinct scenarios for eight benchmark datasets where suboptimal data is presented. Remarkably, GTrans performs the best in most cases with improvements up to 2.8%, 8.2% and 3.8% over the best baselines on three experimental settings.

Multi-task Self-supervised Graph Neural Networks Enable Stronger Task Generalization

Self-supervised learning (SSL) for graph neural networks (GNNs) has attracted increasing attention from the graph machine learning community in recent years, owing to its capability to learn performant node embeddings without costly label information. One weakness of conventional SSL frameworks for GNNs is that they learn through a single philosophy, such as mutual information maximization or generative reconstruction. When applied to various downstream tasks, these frameworks rarely perform equally well for every task, because one philosophy may not span the extensive knowledge required for all tasks. In light of this, we introduce ParetoGNN, a multi-task SSL framework for node representation learning over graphs. Specifically, ParetoGNN is self-supervised by manifold pretext tasks observing multiple philosophies. To reconcile different philosophies, we explore a multiple-gradient descent algorithm, such that ParetoGNN actively learns from every pretext task while minimizing potential conflicts. We conduct comprehensive experiments over four downstream tasks (i.e., node classification, node clustering, link prediction, and partition prediction), and our proposal achieves the best overall performance across tasks on 11 widely adopted benchmark datasets. Besides, we observe that learning from multiple philosophies enhances not only the task generalization but also the single task performance, demonstrating that ParetoGNN achieves better task generalization via the disjoint yet complementary knowledge learned from different philosophies.

MLPInit: Embarrassingly Simple GNN Training Acceleration with MLP Initialization

Training graph neural networks (GNNs) on large graphs is complex and extremely time consuming. This is attributed to overheads caused by sparse matrix multiplication, which are sidestepped when training multi-layer perceptrons (MLPs) with only node features. MLPs, by ignoring graph context, are simple and faster for graph data, however they usually sacrifice prediction accuracy, limiting their applications for graph data. We observe that for most message passing-based GNNs, we can trivially derive an analog MLP (we call this a PeerMLP) whose weights can be made identical, making us curious about how do GNNs using weights from a fully trained PeerMLP perform? Surprisingly, we find that GNNs initialized with such weights significantly outperform their PeerMLPs for graph data, motivating us to use PeerMLP training as a precursor, initialization step to GNN training. To this end, we propose an embarrassingly simple, yet hugely effective initialization method for GNN training acceleration, called MLPInit. Our extensive experiments on multiple large-scale graph datasets with diverse GNN architectures validate that MLPInit can accelerate the training of GNNs (up to 33X speedup on OGB-products) and often improve prediction performance (e.g., up to 7.97% improvement for GraphSAGE across 7 datasets for node classification, and up to 17.81% improvement across 4 datasets for link prediction on metric Hits@10). Most importantly, MLPInit is extremely simple to implement and can be flexibly used as a plug-and-play initialization method for message passing-based GNNs.

Flashlight: Scalable Link Prediction with Effective Decoders

Link prediction (LP) has been recognized as an important task in graph learning with its broad practical applications. A typical application of LP is to retrieve the top scoring neighbors for a given source node, such as the friend recommendation. These services desire the high inference scalability to find the top scoring neighbors from many candidate nodes at low latencies. There are two popular decoders that the recent LP models mainly use to compute the edge scores from node embeddings: the HadamardMLP and Dot Product decoders. After theoretical and empirical analysis, we find that the HadamardMLP decoders are generally more effective for LP. However, HadamardMLP lacks the scalability for retrieving top scoring neighbors on large graphs, since to the best of our knowledge, there does not exist an algorithm to retrieve the top scoring neighbors for HadamardMLP decoders in sublinear complexity. To make HadamardMLP scalable, we propose the Flashlight algorithm to accelerate the top scoring neighbor retrievals for HadamardMLP: a sublinear algorithm that progressively applies approximate maximum inner product search (MIPS) techniques with adaptively adjusted query embeddings. Empirical results show that Flashlight improves the inference speed of LP by more than 100 times on the large OGBL-CITATION2 dataset without sacrificing effectiveness. Our work paves the way for large-scale LP applications with the effective HadamardMLP decoders by greatly accelerating their inference.