skip to main content

Title: Algorithm and system co-design for efficient subgraph-based graph representation learning
Subgraph-based graph representation learning (SGRL) has been recently proposed to deal with some fundamental challenges encountered by canonical graph neural networks (GNNs), and has demonstrated advantages in many important data science applications such as link, relation and motif prediction. However, current SGRL approaches suffer from scalability issues since they require extracting subgraphs for each training or test query. Recent solutions that scale up canonical GNNs may not apply to SGRL. Here, we propose a novel framework SUREL for scalable SGRL by co-designing the learning algorithm and its system support. SUREL adopts walk-based decomposition of subgraphs and reuses the walks to form subgraphs, which substantially reduces the redundancy of subgraph extraction and supports parallel computation. Experiments over six homogeneous, heterogeneous and higher-order graphs with millions of nodes and edges demonstrate the effectiveness and scalability of SUREL. In particular, compared to SGRL baselines, SUREL achieves 10X speed-up with comparable or even better prediction performance; while compared to canonical GNNs, SUREL achieves 50% prediction accuracy improvement.  more » « less
Award ID(s):
Author(s) / Creator(s):
; ; ; ;
Date Published:
Journal Name:
Proceedings of the VLDB Endowment
Page Range / eLocation ID:
2788 to 2796
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. null (Ed.)
    Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect subgraphs, rendering subgraph prediction tasks challenging to tackle in many impactful applications. Further, subgraph prediction tasks present several unique challenges: subgraphs can have non-trivial internal topology, but also carry a notion of position and external connectivity information relative to the underlying graph in which they exist. Here, we introduce SubGNN, a subgraph neural network to learn disentangled subgraph representations. We propose a novel subgraph routing mechanism that propagates neural messages between the subgraph's components and randomly sampled anchor patches from the underlying graph, yielding highly accurate subgraph representations. SubGNN specifies three channels, each designed to capture a distinct aspect of subgraph topology, and we provide empirical evidence that the channels encode their intended properties. We design a series of new synthetic and real-world subgraph datasets. Empirical results for subgraph classification on eight datasets show that SubGNN achieves considerable performance gains, outperforming strong baseline methods, including node-level and graph-level GNNs, by 19.8% over the strongest baseline. SubGNN performs exceptionally well on challenging biomedical datasets where subgraphs have complex topology and even comprise multiple disconnected components. 
    more » « less
  2. Most state-of-the-art Graph Neural Networks (GNNs) can be defined as a form of graph convolution which can be realized by message passing between direct neighbors or beyond. To scale such GNNs to large graphs, various neighbor-, layer-, or subgraph-sampling techniques are proposed to alleviate the "neighbor explosion" problem by considering only a small subset of messages passed to the nodes in a mini-batch. However, sampling-based methods are difficult to apply to GNNs that utilize many-hops-away or global context each layer, show unstable performance for different tasks and datasets, and do not speed up model inference. We propose a principled and fundamentally different approach, VQ-GNN, a universal framework to scale up any convolution-based GNNs using Vector Quantization (VQ) without compromising the performance. In contrast to sampling-based techniques, our approach can effectively preserve all the messages passed to a mini-batch of nodes by learning and updating a small number of quantized reference vectors of global node representations, using VQ within each GNN layer. Our framework avoids the "neighbor explosion" problem of GNNs using quantized representations combined with a low-rank version of the graph convolution matrix. We show that such a compact low-rank version of the gigantic convolution matrix is sufficient both theoretically and experimentally. In company with VQ, we design a novel approximated message passing algorithm and a nontrivial back-propagation rule for our framework. Experiments on various types of GNN backbones demonstrate the scalability and competitive performance of our framework on large-graph node classification and link prediction benchmarks. 
    more » « less
  3. This work considers the general task of estimating the sum of a bounded function over the edges of a graph, given neighborhood query access and where access to the entire network is prohibitively expensive. To estimate this sum, prior work proposes Markov chain Monte Carlo (MCMC) methods that use random walks started at some seed vertex and whose equilibrium distribution is the uniform distribution over all edges, eliminating the need to iterate over all edges. Unfortunately, these existing estimators are not scalable to massive real-world graphs. In this paper, we introduce Ripple, an MCMC-based estimator that achieves unprecedented scalability by stratifying the Markov chain state space into ordered strata with a new technique that we denote sequential stratified regenerations. We show that the Ripple estimator is consistent, highly parallelizable, and scales well. We empirically evaluate our method by applying Ripple to the task of estimating connected, induced subgraph counts given some input graph. Therein, we demonstrate that Ripple is accurate and can estimate counts of up to 12-node subgraphs, which is a task at a scale that has been considered unreachable, not only by prior MCMC-based methods but also by other sampling approaches. For instance, in this target application, we present results in which the Markov chain state space is as large as 1043, for which Ripple computes estimates in less than 4 h, on average. 
    more » « less
  4. Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs. GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating both graph structure and feature information leads to complex models and explaining predictions made by GNNs remains unsolved. Here we propose GNNEXPLAINER, the first general, model-agnostic approach for providing interpretable explanations for predictions of any GNN-based model on any graph-based machine learning task. Given an instance, GNNEXPLAINER identifies a compact subgraph structure and a small subset of node features that have a crucial role in GNN’s prediction. Further, GNNEXPLAINER can generate consistent and concise explanations for an entire class of instances. We formulate GNNEXPLAINER as an optimization task that maximizes the mutual information between a GNN’s prediction and distribution of possible subgraph structures. Experiments on synthetic and real-world graphs show that our approach can identify important graph structures as well as node features, and outperforms alternative baseline approaches by up to 43.0% in explanation accuracy. GNNEXPLAINER provides a variety of benefits, from the ability to visualize semantically relevant structures to interpretability, to giving insights into errors of faulty GNNs. 
    more » « less
  5. Graph Neural Networks (GNNs) have drawn tremendous attention due to their unique capability to extend Machine Learning (ML) approaches to applications broadly-defined as having unstructured data, especially graphs. Compared with other Machine Learning (ML) modalities, the acceleration of Graph Neural Networks (GNNs) is more challenging due to the irregularity and heterogeneity derived from graph typologies. Existing efforts, however, have focused mainly on handling graphs’ irregularity and have not studied their heterogeneity. To this end we propose H-GCN, a PL (Programmable Logic) and AIE (AI Engine) based hybrid accelerator that leverages the emerging heterogeneity of Xilinx Versal Adaptive Compute Acceleration Platforms (ACAPs) to achieve high-performance GNN inference. In particular, H-GCN partitions each graph into three subgraphs based on its inherent heterogeneity, and processes them using PL and AIE, respectively. To further improve performance, we explore the sparsity support of AIE and develop an efficient density-aware method to automatically map tiles of sparse matrix-matrix multiplication (SpMM) onto the systolic tensor array. Compared with state-of-the-art GCN accelerators, H-GCN achieves, on average, speedups of 1.1∼2.3×. 
    more » « less