Minjie Wang

Kezhao Huang, Haitian Jiang, Minjie Wang et al.

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 currently-available shortcuts involved. To address these limitations, we instead propose FreshGNN, 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, FreshGNN is able to accelerate the training speed on large graph datasets such as ogbn-papers100M and MAG240M by 3.4x up to 20.5x and reduce the memory access by 59%, with less than 1% influence on test accuracy.

Xuhong Wang, Sirui Chen, Yixuan He et al.

Many real world applications can be formulated as event forecasting on Continuous Time Dynamic Graphs (CTDGs) where the occurrence of a timed event between two entities is represented as an edge along with its occurrence timestamp in the graphs.However, most previous works approach the problem in compromised settings, either formulating it as a link prediction task on the graph given the event time or a time prediction problem given which event will happen next. In this paper, we propose a novel model combining Graph Neural Networks and Marked Temporal Point Process (MTPP) that jointly forecasts multiple link events and their timestamps on communities over a CTDG. Moreover, to scale our model to large graphs, we factorize the jointly event prediction problem into three easier conditional probability modeling problems.To evaluate the effectiveness of our model and the rationale behind such a decomposition, we establish a set of benchmarks and evaluation metrics for this event forecasting task. Our experiments demonstrate the superior performance of our model in terms of both model accuracy and training efficiency.

Haitian Jiang, Renjie Liu, Zengfeng Huang et al.

Among the many variants of graph neural network (GNN) architectures capable of modeling data with cross-instance relations, an important subclass involves layers designed such that the forward pass iteratively reduces a graph-regularized energy function of interest. In this way, node embeddings produced at the output layer dually serve as both predictive features for solving downstream tasks (e.g., node classification) and energy function minimizers that inherit transparent, exploitable inductive biases and interpretability. However, scaling GNN architectures constructed in this way remains challenging, in part because the convergence of the forward pass may involve models with considerable depth. To tackle this limitation, we propose a sampling-based energy function and scalable GNN layers that iteratively reduce it, guided by convergence guarantees in certain settings. We also instantiate a full GNN architecture based on these designs, and the model achieves competitive accuracy and scalability when applied to the largest publicly-available node classification benchmark exceeding 1TB in size. Our source code is available at https://github.com/haitian-jiang/MuseGNN.

Peiqi Yin, Xiao Yan, Jinjing Zhou et al.

While many systems have been developed to train Graph Neural Networks (GNNs), efficient model inference and evaluation remain to be addressed. For instance, using the widely adopted node-wise approach, model evaluation can account for up to 94% of the time in the end-to-end training process due to neighbor explosion, which means that a node accesses its multi-hop neighbors. On the other hand, layer-wise inference avoids the neighbor explosion problem by conducting inference layer by layer such that the nodes only need their one-hop neighbors in each layer. However, implementing layer-wise inference requires substantial engineering efforts because users need to manually decompose a GNN model into layers for computation and split workload into batches to fit into device memory. In this paper, we develop Deep Graph Inference (DGI) -- a system for easy and efficient GNN model inference, which automatically translates the training code of a GNN model for layer-wise execution. DGI is general for various GNN models and different kinds of inference requests, and supports out-of-core execution on large graphs that cannot fit in CPU memory. Experimental results show that DGI consistently outperforms layer-wise inference across different datasets and hardware settings, and the speedup can be over 1,000x.

Li Dong, Feibo Jiang, Minjie Wang et al.

The intelligent reflection surface (IRS) and unmanned aerial vehicle (UAV)-assisted mobile edge computing (MEC) system is widely used in temporary and emergency scenarios. Our goal is to minimize the energy consumption of the MEC system by jointly optimizing UAV locations, IRS phase shift, task offloading, and resource allocation with a variable number of UAVs. To this end, we propose a Flexible REsource Scheduling (FRES) framework by employing a novel deep progressive reinforcement learning which includes the following innovations: Firstly, a novel multi-task agent is presented to deal with the mixed integer nonlinear programming (MINLP) problem. The multi-task agent has two output heads designed for different tasks, in which a classified head is employed to make offloading decisions with integer variables while a fitting head is applied to solve resource allocation with continuous variables. Secondly, a progressive scheduler is introduced to adapt the agent to the varying number of UAVs by progressively adjusting a part of neurons in the agent. This structure can naturally accumulate experiences and be immune to catastrophic forgetting. Finally, a light taboo search (LTS) is introduced to enhance the global search of the FRES. The numerical results demonstrate the superiority of the FRES framework which can make real-time and optimal resource scheduling even in dynamic MEC systems.

Yuchen Zhong, Guangming Sheng, Tianzuo Qin et al.

Graph Neural Networks (GNNs) play a crucial role in various fields. However, most existing deep graph learning frameworks assume pre-stored static graphs and do not support training on graph streams. In contrast, many real-world graphs are dynamic and contain time domain information. We introduce GNNFlow, a distributed framework that enables efficient continuous temporal graph representation learning on dynamic graphs on multi-GPU machines. GNNFlow introduces an adaptive time-indexed block-based data structure that effectively balances memory usage with graph update and sampling operation efficiency. It features a hybrid GPU-CPU graph data placement for rapid GPU-based temporal neighborhood sampling and kernel optimizations for enhanced sampling processes. A dynamic GPU cache for node and edge features is developed to maximize cache hit rates through reuse and restoration strategies. GNNFlow supports distributed training across multiple machines with static scheduling to ensure load balance. We implement GNNFlow based on DGL and PyTorch. Our experimental results show that GNNFlow provides up to 21.1x faster continuous learning than existing systems.

Minjie Wang, Quan Gan, David Wipf et al.

Although RDBs store vast amounts of rich, informative data spread across interconnected tables, the progress of predictive machine learning models as applied to such tasks arguably falls well behind advances in other domains such as computer vision or natural language processing. This deficit stems, at least in part, from the lack of established/public RDB benchmarks as needed for training and evaluation purposes. As a result, related model development thus far often defaults to tabular approaches trained on ubiquitous single-table benchmarks, or on the relational side, graph-based alternatives such as GNNs applied to a completely different set of graph datasets devoid of tabular characteristics. To more precisely target RDBs lying at the nexus of these two complementary regimes, we explore a broad class of baseline models predicated on: (i) converting multi-table datasets into graphs using various strategies equipped with efficient subsampling, while preserving tabular characteristics; and (ii) trainable models with well-matched inductive biases that output predictions based on these input subgraphs. Then, to address the dearth of suitable public benchmarks and reduce siloed comparisons, we assemble a diverse collection of (i) large-scale RDB datasets and (ii) coincident predictive tasks. From a delivery standpoint, we operationalize the above four dimensions (4D) of exploration within a unified, scalable open-source toolbox called 4DBInfer. We conclude by presenting evaluations using 4DBInfer, the results of which highlight the importance of considering each such dimension in the design of RDB predictive models, as well as the limitations of more naive approaches such as simply joining adjacent tables. Our source code is released at https://github.com/awslabs/multi-table-benchmark .

Amber Yijia Zheng, Tong He, Yixuan Qiu et al.

Bilevel optimization refers to scenarios whereby the optimal solution of a lower-level energy function serves as input features to an upper-level objective of interest. These optimal features typically depend on tunable parameters of the lower-level energy in such a way that the entire bilevel pipeline can be trained end-to-end. Although not generally presented as such, this paper demonstrates how a variety of graph learning techniques can be recast as special cases of bilevel optimization or simplifications thereof. In brief, building on prior work we first derive a more flexible class of energy functions that, when paired with various descent steps (e.g., gradient descent, proximal methods, momentum, etc.), form graph neural network (GNN) message-passing layers; critically, we also carefully unpack where any residual approximation error lies with respect to the underlying constituent message-passing functions. We then probe several simplifications of this framework to derive close connections with non-GNN-based graph learning approaches, including knowledge graph embeddings, various forms of label propagation, and efficient graph-regularized MLP models. And finally, we present supporting empirical results that demonstrate the versatility of the proposed bilevel lens, which we refer to as BloomGML, referencing that BiLevel Optimization Offers More Graph Machine Learning. Our code is available at https://github.com/amberyzheng/BloomGML. Let graph ML bloom.

Da Zheng, Chao Ma, Minjie Wang et al.

Graph neural networks (GNN) have shown great success in learning from graph-structured data. They are widely used in various applications, such as recommendation, fraud detection, and search. In these domains, the graphs are typically large, containing hundreds of millions of nodes and several billions of edges. To tackle this challenge, we develop DistDGL, a system for training GNNs in a mini-batch fashion on a cluster of machines. DistDGL is based on the Deep Graph Library (DGL), a popular GNN development framework. DistDGL distributes the graph and its associated data (initial features and embeddings) across the machines and uses this distribution to derive a computational decomposition by following an owner-compute rule. DistDGL follows a synchronous training approach and allows ego-networks forming the mini-batches to include non-local nodes. To minimize the overheads associated with distributed computations, DistDGL uses a high-quality and light-weight min-cut graph partitioning algorithm along with multiple balancing constraints. This allows it to reduce communication overheads and statically balance the computations. It further reduces the communication by replicating halo nodes and by using sparse embedding updates. The combination of these design choices allows DistDGL to train high-quality models while achieving high parallel efficiency and memory scalability. We demonstrate our optimizations on both inductive and transductive GNN models. Our results show that DistDGL achieves linear speedup without compromising model accuracy and requires only 13 seconds to complete a training epoch for a graph with 100 million nodes and 3 billion edges on a cluster with 16 machines. DistDGL is now publicly available as part of DGL:https://github.com/dmlc/dgl/tree/master/python/dgl/distributed.

Jiahui Liu, Zhenkun Cai, Zhiyong Chen et al.

Attention Graph Neural Networks (AT-GNNs), such as GAT and Graph Transformer, have demonstrated superior performance compared to other GNNs. However, existing GNN systems struggle to efficiently train AT-GNNs on GPUs due to their intricate computation patterns. The execution of AT-GNN operations without kernel fusion results in heavy data movement and significant kernel launch overhead, while fixed thread scheduling in existing GNN kernel fusion strategies leads to sub-optimal performance, redundant computation and unbalanced workload. To address these challenges, we propose a dynamic kernel fusion framework, DF-GNN, for the AT-GNN family. DF-GNN introduces a dynamic bi-level thread scheduling strategy, enabling flexible adjustments to thread scheduling while retaining the benefits of shared memory within the fused kernel. DF-GNN tailors specific thread scheduling for operations in AT-GNNs and considers the performance bottleneck shift caused by the presence of super nodes. Additionally, DF-GNN is integrated with the PyTorch framework for high programmability. Evaluations across diverse GNN models and multiple datasets reveal that DF-GNN surpasses existing GNN kernel optimization works like cuGraph and dgNN, with speedups up to $7.0\times$ over the state-of-the-art non-fusion DGL sparse library. Moreover, it achieves an average speedup of $2.16\times$ in end-to-end training compared to the popular GNN computing framework DGL.

Tianyi Yao, Minjie Wang, Genevera I. Allen

Gaussian graphical models provide a powerful framework for uncovering conditional dependence relationships between sets of nodes; they have found applications in a wide variety of fields including sensor and communication networks, physics, finance, and computational biology. Often, one observes data on the nodes and the task is to learn the graph structure, or perform graphical model selection. While this is a well-studied problem with many popular techniques, there are typically three major practical challenges: i) many existing algorithms become computationally intractable in huge-data settings with tens of thousands of nodes; ii) the need for separate data-driven hyperparameter tuning considerably adds to the computational burden; iii) the statistical accuracy of selected edges often deteriorates as the dimension and/or the complexity of the underlying graph structures increase. We tackle these problems by developing the novel Minipatch Graph (MPGraph) estimator. Our approach breaks up the huge graph learning problem into many smaller problems by creating an ensemble of tiny random subsets of both the observations and the nodes, termed minipatches. We then leverage recent advances that use hard thresholding to solve the latent variable graphical model problem to consistently learn the graph on each minipatch. Our approach is computationally fast, embarrassingly parallelizable, memory efficient, and has integrated stability-based hyperparamter tuning. Additionally, we prove that under weaker assumptions than that of the Graphical Lasso, our MPGraph estimator achieves graph selection consistency. We compare our approach to state-of-the-art computational approaches for Gaussian graphical model selection including the BigQUIC algorithm, and empirically demonstrate that our approach is not only more statistically accurate but also extensively faster for huge graph learning problems.

Minjie Wang, Genevera I. Allen

In neuroscience, researchers seek to uncover the connectivity of neurons from large-scale neural recordings or imaging; often people employ graphical model selection and estimation techniques for this purpose. But, existing technologies can only record from a small subset of neurons leading to a challenging problem of graph selection in the presence of extensive latent variables. Chandrasekaran et al. (2012) proposed a convex program to address this problem that poses challenges from both a computational and statistical perspective. To solve this problem, we propose an incredibly simple solution: apply a hard thresholding operator to existing graph selection methods. Conceptually simple and computationally attractive, we demonstrate that thresholding the graphical Lasso, neighborhood selection, or CLIME estimators have superior theoretical properties in terms of graph selection consistency as well as stronger empirical results than existing approaches for the latent variable graphical model problem. We also demonstrate the applicability of our approach through a neuroscience case study on calcium-imaging data to estimate functional neural connections.

Yuwei Hu, Zihao Ye, Minjie Wang et al.

Graph neural networks (GNNs) are gaining increasing popularity as a promising approach to machine learning on graphs. Unlike traditional graph workloads where each vertex/edge is associated with a scalar, GNNs attach a feature tensor to each vertex/edge. This additional feature dimension, along with consequently more complex vertex- and edge-wise computations, has enormous implications on locality and parallelism, which existing graph processing systems fail to exploit. This paper proposes FeatGraph to accelerate GNN workloads by co-optimizing graph traversal and feature dimension computation. FeatGraph provides a flexible programming interface to express diverse GNN models by composing coarse-grained sparse templates with fine-grained user-defined functions (UDFs) on each vertex/edge. FeatGraph incorporates optimizations for graph traversal into the sparse templates and allows users to specify optimizations for UDFs with a feature dimension schedule (FDS). FeatGraph speeds up end-to-end GNN training and inference by up to 32x on CPU and 7x on GPU.

Minjie Wang, Tianyi Yao, Genevera I. Allen

Clustering has long been a popular unsupervised learning approach to identify groups of similar objects and discover patterns from unlabeled data in many applications. Yet, coming up with meaningful interpretations of the estimated clusters has often been challenging precisely due to its unsupervised nature. Meanwhile, in many real-world scenarios, there are some noisy supervising auxiliary variables, for instance, subjective diagnostic opinions, that are related to the observed heterogeneity of the unlabeled data. By leveraging information from both supervising auxiliary variables and unlabeled data, we seek to uncover more scientifically interpretable group structures that may be hidden by completely unsupervised analyses. In this work, we propose and develop a new statistical pattern discovery method named Supervised Convex Clustering (SCC) that borrows strength from both information sources and guides towards finding more interpretable patterns via a joint convex fusion penalty. We develop several extensions of SCC to integrate different types of supervising auxiliary variables, to adjust for additional covariates, and to find biclusters. We demonstrate the practical advantages of SCC through simulations and a case study on Alzheimer's Disease genomics. Specifically, we discover new candidate genes as well as new subtypes of Alzheimer's Disease that can potentially lead to better understanding of the underlying genetic mechanisms responsible for the observed heterogeneity of cognitive decline in older adults.

Minjie Wang, Genevera I. Allen

In mixed multi-view data, multiple sets of diverse features are measured on the same set of samples. By integrating all available data sources, we seek to discover common group structure among the samples that may be hidden in individualistic cluster analyses of a single data-view. While several techniques for such integrative clustering have been explored, we propose and develop a convex formalization that will inherit the strong statistical, mathematical and empirical properties of increasingly popular convex clustering methods. Specifically, our Integrative Generalized Convex Clustering Optimization (iGecco) method employs different convex distances, losses, or divergences for each of the different data views with a joint convex fusion penalty that leads to common groups. Additionally, integrating mixed multi-view data is often challenging when each data source is high-dimensional. To perform feature selection in such scenarios, we develop an adaptive shifted group-lasso penalty that selects features by shrinking them towards their loss-specific centers. Our so-called iGecco+ approach selects features from each data-view that are best for determining the groups, often leading to improved integrative clustering. To fit our model, we develop a new type of generalized multi-block ADMM algorithm using sub-problem approximations that more efficiently fits our model for big data sets. Through a series of numerical experiments and real data examples on text mining and genomics, we show that iGecco+ achieves superior empirical performance for high-dimensional mixed multi-view data.

Minjie Wang, Da Zheng, Zihao Ye et al.

Advancing research in the emerging field of deep graph learning requires new tools to support tensor computation over graphs. In this paper, we present the design principles and implementation of Deep Graph Library (DGL). DGL distills the computational patterns of GNNs into a few generalized sparse tensor operations suitable for extensive parallelization. By advocating graph as the central programming abstraction, DGL can perform optimizations transparently. By cautiously adopting a framework-neutral design, DGL allows users to easily port and leverage the existing components across multiple deep learning frameworks. Our evaluation shows that DGL significantly outperforms other popular GNN-oriented frameworks in both speed and memory consumption over a variety of benchmarks and has little overhead for small scale workloads.

Chuzhe Tang, Zhiyuan Dong, Minjie Wang et al.

The recent proposal of learned index structures opens up a new perspective on how traditional range indexes can be optimized. However, the current learned indexes assume the data distribution is relatively static and the access pattern is uniform, while real-world scenarios consist of skew query distribution and evolving data. In this paper, we demonstrate that the missing consideration of access patterns and dynamic data distribution notably hinders the applicability of learned indexes. To this end, we propose solutions for learned indexes for dynamic workloads (called Doraemon). To improve the latency for skew queries, Doraemon augments the training data with access frequencies. To address the slow model re-training when data distribution shifts, Doraemon caches the previously-trained models and incrementally fine-tunes them for similar access patterns and data distribution. Our preliminary result shows that, Doraemon improves the query latency by 45.1% and reduces the model re-training time to 1/20.

Minjie Wang, Chien-chin Huang, Jinyang Li

This paper presents Tofu, a system that partitions very large DNN models across multiple GPU devices to reduce per-GPU memory footprint. Tofu is designed to partition a dataflow graph of fine-grained tensor operators in order to work transparently with a general-purpose deep learning platform like MXNet. In order to automatically partition each operator, we propose to describe the semantics of an operator in a simple language which represents tensors as lambda functions mapping from tensor coordinates to values. To optimally partition different operators in a dataflow graph, Tofu uses a recursive search algorithm that minimizes the total communication cost. Our experiments on an 8-GPU machine show that Tofu enables the training of very large CNN and RNN models. It also achieves 25% - 400% speedup over alternative approaches to train very large models.

Minjie Wang, Chien-chin Huang, Jinyang Li

Deep learning systems have become vital tools across many fields, but the increasing model sizes mean that training must be accelerated to maintain such systems' utility. Current systems like Tensorflow and MXNet focus on one specific parallelization strategy, data parallelism, which requires large training batch sizes in order to scale. We cast the problem of finding the best parallelization strategy as the problem of finding the best tiling to partition tensors with the least overall communication. We propose an algorithm that can find the optimal tiling. Our resulting parallelization solution is a hybrid of data parallelism and model parallelism. We build the SoyBean system that performs automatic parallelization. SoyBean automatically transforms a serial dataflow graph captured by an existing deep learning system frontend into a parallel dataflow graph based on the optimal tiling it has found. Our evaluations show that SoyBean is 1.5x-4x faster than pure data parallelism for AlexNet and VGG. We present this automatic tiling in a new system, SoyBean, that can act as a backend for Tensorflow, MXNet, and others.

Tianqi Chen, Mu Li, Yutian Li et al.

MXNet is a multi-language machine learning (ML) library to ease the development of ML algorithms, especially for deep neural networks. Embedded in the host language, it blends declarative symbolic expression with imperative tensor computation. It offers auto differentiation to derive gradients. MXNet is computation and memory efficient and runs on various heterogeneous systems, ranging from mobile devices to distributed GPU clusters. This paper describes both the API design and the system implementation of MXNet, and explains how embedding of both symbolic expression and tensor operation is handled in a unified fashion. Our preliminary experiments reveal promising results on large scale deep neural network applications using multiple GPU machines.