TensorFlow-GNN (TF-GNN) is a scalable library for Graph Neural Networks in TensorFlow. It is designed from the bottom up to support the kinds of rich heterogeneous graph data that occurs in today's information ecosystems. In addition to enabling machine learning researchers and advanced developers, TF-GNN offers low-code solutions to empower the broader developer community in graph learning. Many production models at Google use TF-GNN, and it has been recently released as an open source project. In this paper we describe the TF-GNN data model, its Keras message passing API, and relevant capabilities such as graph sampling and distributed training.
The dynamics of temporal networks lie in the continuous interactions between nodes, which exhibit the dynamic node preferences with time elapsing. The challenges of mining temporal networks are thus two-fold: the dynamic structure of networks and the dynamic node preferences. In this paper, we investigate the dynamic graph sampling problem, aiming to capture the preference structure of nodes dynamically in cooperation with GNNs. Our proposed Dynamic Preference Structure (DPS) framework consists of two stages: structure sampling and graph fusion. In the first stage, two parameterized samplers are designed to learn the preference structure adaptively with network reconstruction tasks. In the second stage, an additional attention layer is designed to fuse two sampled temporal subgraphs of a node, generating temporal node embeddings for downstream tasks. Experimental results on many real-life temporal networks show that our DPS outperforms several state-of-the-art methods substantially owing to learning an adaptive preference structure. The code will be released soon at https://github.com/doujiang-zheng/Dynamic-Preference-Structure.
Entity alignment (EA) aims to find the equivalent entities in different KGs, which is a crucial step in integrating multiple KGs. However, most existing EA methods have poor scalability and are unable to cope with large-scale datasets. We summarize three issues leading to such high time-space complexity in existing EA methods: (1) Inefficient graph encoders, (2) Dilemma of negative sampling, and (3) "Catastrophic forgetting" in semi-supervised learning. To address these challenges, we propose a novel EA method with three new components to enable high Performance, high Scalability, and high Robustness (PSR): (1) Simplified graph encoder with relational graph sampling, (2) Symmetric negative-free alignment loss, and (3) Incremental semi-supervised learning. Furthermore, we conduct detailed experiments on several public datasets to examine the effectiveness and efficiency of our proposed method. The experimental results show that PSR not only surpasses the previous SOTA in performance but also has impressive scalability and robustness.
Deep graph neural networks (GNNs) have achieved excellent results on various tasks on increasingly large graph datasets with millions of nodes and edges. However, memory complexity has become a major obstacle when training deep GNNs for practical applications due to the immense number of nodes, edges, and intermediate activations. To improve the scalability of GNNs, prior works propose smart graph sampling or partitioning strategies to train GNNs with a smaller set of nodes or sub-graphs. In this work, we study reversible connections, group convolutions, weight tying, and equilibrium models to advance the memory and parameter efficiency of GNNs. We find that reversible connections in combination with deep network architectures enable the training of overparameterized GNNs that significantly outperform existing methods on multiple datasets. Our models RevGNN-Deep (1001 layers with 80 channels each) and RevGNN-Wide (448 layers with 224 channels each) were both trained on a single commodity GPU and achieve an ROC-AUC of $87.74 \pm 0.13$ and $88.24 \pm 0.15$ on the ogbn-proteins dataset. To the best of our knowledge, RevGNN-Deep is the deepest GNN in the literature by one order of magnitude. Please visit our project website https://www.deepgcns.org/arch/gnn1000 for more information.
Recent studies show that, both explicit deep feature matching as well as large-scale and diverse training data can significantly improve the generalization of person re-identification. However, the efficiency of learning deep matchers on large-scale data has not yet been adequately studied. Though learning with classification parameters or class memory is a popular way, it incurs large memory and computational costs. In contrast, pairwise deep metric learning within mini batches would be a better choice. However, the most popular random sampling method, the well-known PK sampler, is not informative and efficient for deep metric learning. Though online hard example mining has improved the learning efficiency to some extent, the mining in mini batches after random sampling is still limited. This inspires us to explore the use of hard example mining earlier, in the data sampling stage. To do so, in this paper, we propose an efficient mini-batch sampling method, called graph sampling (GS), for large-scale deep metric learning. The basic idea is to build a nearest neighbor relationship graph for all classes at the beginning of each epoch. Then, each mini batch is composed of a randomly selected class and its nearest neighboring classes so as to provide informative and challenging examples for learning. Together with an adapted competitive baseline, we improve the state of the art in generalizable person re-identification significantly, by 25.1% in Rank-1 on MSMT17 when trained on RandPerson. Besides, the proposed method also outperforms the competitive baseline, by 6.8% in Rank-1 on CUHK03-NP when trained on MSMT17. Meanwhile, the training time is significantly reduced, from 25.4 hours to 2 hours when trained on RandPerson with 8,000 identities. Code is available at https://github.com/ShengcaiLiao/QAConv.
The pre-training on the graph neural network model can learn the general features of large-scale networks or networks of the same type by self-supervised methods, which allows the model to work even when node labels are missing. However, the existing pre-training methods do not take network evolution into consideration. This paper proposes a pre-training method on dynamic graph neural networks (PT-DGNN), which uses dynamic attributed graph generation tasks to simultaneously learn the structure, semantics, and evolution features of the graph. The method includes two steps: 1) dynamic sub-graph sampling, and 2) pre-training with dynamic attributed graph generation task. Comparative experiments on three realistic dynamic network datasets show that the proposed method achieves the best results on the link prediction fine-tuning task.
We introduce tf_geometric, an efficient and friendly library for graph deep learning, which is compatible with both TensorFlow 1.x and 2.x. tf_geometric provides kernel libraries for building Graph Neural Networks (GNNs) as well as implementations of popular GNNs. The kernel libraries consist of infrastructures for building efficient GNNs, including graph data structures, graph map-reduce framework, graph mini-batch strategy, etc. These infrastructures enable tf_geometric to support single-graph computation, multi-graph computation, graph mini-batch, distributed training, etc.; therefore, tf_geometric can be used for a variety of graph deep learning tasks, such as transductive node classification, inductive node classification, link prediction, and graph classification. Based on the kernel libraries, tf_geometric implements a variety of popular GNN models for different tasks. To facilitate the implementation of GNNs, tf_geometric also provides some other libraries for dataset management, graph sampling, etc. Different from existing popular GNN libraries, tf_geometric provides not only Object-Oriented Programming (OOP) APIs, but also Functional APIs, which enable tf_geometric to handle advanced graph deep learning tasks such as graph meta-learning. The APIs of tf_geometric are friendly, and they are suitable for both beginners and experts. In this paper, we first present an overview of tf_geometric's framework. Then, we conduct experiments on some benchmark datasets and report the performance of several popular GNN models implemented by tf_geometric.
For the traveling salesman problem (TSP), the existing supervised learning based algorithms suffer seriously from the lack of generalization ability. To overcome this drawback, this paper tries to train (in supervised manner) a small-scale model, which could be repetitively used to build heat maps for TSP instances of arbitrarily large size, based on a series of techniques such as graph sampling, graph converting and heat maps merging. Furthermore, the heat maps are fed into a reinforcement learning approach (Monte Carlo tree search), to guide the search of high-quality solutions. Experimental results based on a large number of instances (with up to 10,000 vertices) show that, this new approach clearly outperforms the existing machine learning based TSP algorithms, and significantly improves the generalization ability of the trained model.
Neural Architecture Search (NAS), the process of automating architecture engineering, is an appealing next step to advancing end-to-end Automatic Speech Recognition (ASR), replacing expert-designed networks with learned, task-specific architectures. In contrast to early computational-demanding NAS methods, recent gradient-based NAS methods, e.g., DARTS (Differentiable ARchiTecture Search), SNAS (Stochastic NAS) and ProxylessNAS, significantly improve the NAS efficiency. In this paper, we make two contributions. First, we rigorously develop an efficient NAS method via Straight-Through (ST) gradients, called ST-NAS. Basically, ST-NAS uses the loss from SNAS but uses ST to back-propagate gradients through discrete variables to optimize the loss, which is not revealed in ProxylessNAS. Using ST gradients to support sub-graph sampling is a core element to achieve efficient NAS beyond DARTS and SNAS. Second, we successfully apply ST-NAS to end-to-end ASR. Experiments over the widely benchmarked 80-hour WSJ and 300-hour Switchboard datasets show that the ST-NAS induced architectures significantly outperform the human-designed architecture across the two datasets. Strengths of ST-NAS such as architecture transferability and low computation cost in memory and time are also reported.
Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise sampling" techniques to reduce training time. However, these methods still suffer from degrading performance and scalability problems when applying to graphs with billions of edges. This paper presents GBP, a scalable GNN that utilizes a localized bidirectional propagation process from both the feature vectors and the training/testing nodes. Theoretical analysis shows that GBP is the first method that achieves sub-linear time complexity for both the precomputation and the training phases. An extensive empirical study demonstrates that GBP achieves state-of-the-art performance with significantly less training/testing time. Most notably, GBP can deliver superior performance on a graph with over 60 million nodes and 1.8 billion edges in less than half an hour on a single machine. The codes of GBP can be found at https://github.com/chennnM/GBP .
Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel parallel training framework. Through sampling small subgraphs as minibatches, we reduce training workload by orders of magnitude compared with state-of-the-art minibatch methods. We then parallelize the key computation steps on tightly-coupled shared memory systems. For graph sampling, we exploit parallelism within and across sampler instances, and propose an efficient data structure supporting concurrent accesses from samplers. The parallel sampler theoretically achieves near-linear speedup with respect to number of processing units. For feature propagation within subgraphs, we improve cache utilization and reduce DRAM traffic by data partitioning. Our partitioning is a 2-approximation strategy for minimizing the communication cost compared to the optimal. We further develop a runtime scheduler to reorder the training operations and adjust the minibatch subgraphs to improve parallel performance. Finally, we generalize the above parallelization strategies to support multiple types of GNN models and graph samplers. The proposed training outperforms the state-of-the-art in scalability, efficiency and accuracy simultaneously. On a 40-core Xeon platform, we achieve 60x speedup (with AVX) in the sampling step and 20x speedup in the feature propagation step, compared to the serial implementation. Our algorithm enables fast training of deeper GNNs, as demonstrated by orders of magnitude speedup compared to the Tensorflow implementation. We open-source our code at https://github.com/GraphSAINT/GraphSAINT.
Sampling graphs is an important task in data mining. In this paper, we describe Little Ball of Fur a Python library that includes more than twenty graph sampling algorithms. Our goal is to make node, edge, and exploration-based network sampling techniques accessible to a large number of professionals, researchers, and students in a single streamlined framework. We created this framework with a focus on a coherent application public interface which has a convenient design, generic input data requirements, and reasonable baseline settings of algorithms. Here we overview these design foundations of the framework in detail with illustrative code snippets. We show the practical usability of the library by estimating various global statistics of social networks and web graphs. Experiments demonstrate that Little Ball of Fur can speed up node and whole graph embedding techniques considerably with mildly deteriorating the predictive value of distilled features.
Structural heterogeneity between knowledge graphs is an outstanding challenge for entity alignment. This paper presents Neighborhood Matching Network (NMN), a novel entity alignment framework for tackling the structural heterogeneity challenge. NMN estimates the similarities between entities to capture both the topological structure and the neighborhood difference. It provides two innovative components for better learning representations for entity alignment. It first uses a novel graph sampling method to distill a discriminative neighborhood for each entity. It then adopts a cross-graph neighborhood matching module to jointly encode the neighborhood difference for a given entity pair. Such strategies allow NMN to effectively construct matching-oriented entity representations while ignoring noisy neighbors that have a negative impact on the alignment task. Extensive experiments performed on three entity alignment datasets show that NMN can well estimate the neighborhood similarity in more tough cases and significantly outperforms 12 previous state-of-the-art methods.
Graph representation learning has recently been applied to a broad spectrum of problems ranging from computer graphics and chemistry to high energy physics and social media. The popularity of graph neural networks has sparked interest, both in academia and in industry, in developing methods that scale to very large graphs such as Facebook or Twitter social networks. In most of these approaches, the computational cost is alleviated by a sampling strategy retaining a subset of node neighbors or subgraphs at training time. In this paper we propose a new, efficient and scalable graph deep learning architecture which sidesteps the need for graph sampling by using graph convolutional filters of different size that are amenable to efficient precomputation, allowing extremely fast training and inference. Our architecture allows using different local graph operators (e.g. motif-induced adjacency matrices or Personalized Page Rank diffusion matrix) to best suit the task at hand. We conduct extensive experimental evaluation on various open benchmarks and show that our approach is competitive with other state-of-the-art architectures, while requiring a fraction of the training and inference time. Moreover, we obtain state-of-the-art results on ogbn-papers100M, the largest public graph dataset, with over 110 million nodes and 1.5 billion edges.
Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them infeasible to represent heterogeneous structures. In this paper, we present the Heterogeneous Graph Transformer (HGT) architecture for modeling Web-scale heterogeneous graphs. To model heterogeneity, we design node- and edge-type dependent parameters to characterize the heterogeneous attention over each edge, empowering HGT to maintain dedicated representations for different types of nodes and edges. To handle dynamic heterogeneous graphs, we introduce the relative temporal encoding technique into HGT, which is able to capture the dynamic structural dependency with arbitrary durations. To handle Web-scale graph data, we design the heterogeneous mini-batch graph sampling algorithm---HGSampling---for efficient and scalable training. Extensive experiments on the Open Academic Graph of 179 million nodes and 2 billion edges show that the proposed HGT model consistently outperforms all the state-of-the-art GNN baselines by 9%--21% on various downstream tasks.
A serious challenge when finding influential actors in real-world social networks is the lack of knowledge about the structure of the underlying network. Current state-of-the-art methods rely on hand-crafted sampling algorithms; these methods sample nodes and their neighbours in a carefully constructed order and choose opinion leaders from this discovered network to maximize influence spread in the (unknown) complete network. In this work, we propose a reinforcement learning framework for network discovery that automatically learns useful node and graph representations that encode important structural properties of the network. At training time, the method identifies portions of the network such that the nodes selected from this sampled subgraph can effectively influence nodes in the complete network. The realization of such transferable network structure based adaptable policies is attributed to the meticulous design of the framework that encodes relevant node and graph signatures driven by an appropriate reward scheme. We experiment with real-world social networks from four different domains and show that the policies learned by our RL agent provide a 10-36% improvement over the current state-of-the-art method.
Graph Convolutional Networks (GCNs) are powerful models for learning representations of attributed graphs. To scale GCNs to large graphs, state-of-the-art methods use various layer sampling techniques to alleviate the "neighbor explosion" problem during minibatch training. We propose GraphSAINT, a graph sampling based inductive learning method that improves training efficiency and accuracy in a fundamentally different way. By changing perspective, GraphSAINT constructs minibatches by sampling the training graph, rather than the nodes or edges across GCN layers. Each iteration, a complete GCN is built from the properly sampled subgraph. Thus, we ensure fixed number of well-connected nodes in all layers. We further propose normalization technique to eliminate bias, and sampling algorithms for variance reduction. Importantly, we can decouple the sampling from the forward and backward propagation, and extend GraphSAINT with many architecture variants (e.g., graph attention, jumping connection). GraphSAINT demonstrates superior performance in both accuracy and training time on five large graphs, and achieves new state-of-the-art F1 scores for PPI (0.995) and Reddit (0.970).
The Graph Convolutional Network (GCN) model and its variants are powerful graph embedding tools for facilitating classification and clustering on graphs. However, a major challenge is to reduce the complexity of layered GCNs and make them parallelizable and scalable on very large graphs -- state-of the art techniques are unable to achieve scalability without losing accuracy and efficiency. In this paper, we propose novel parallelization techniques for graph sampling-based GCNs that achieve superior scalable performance on very large graphs without compromising accuracy. Specifically, our GCN guarantees work-efficient training and produces order of magnitude savings in computation and communication. To scale GCN training on tightly-coupled shared memory systems, we develop parallelization strategies for the key steps in training: For the graph sampling step, we exploit parallelism within and across multiple sampling instances, and devise an efficient data structure for concurrent accesses that provides theoretical guarantee of near-linear speedup with number of processing units. For the feature propagation step within the sampled graph, we improve cache utilization and reduce DRAM communication by data partitioning. We prove that our partitioning strategy is a 2-approximation for minimizing the communication time compared to the optimal strategy. We demonstrate that our parallel graph embedding outperforms state-of-the-art methods in scalability (with respect to number of processors, graph size and GCN model size), efficiency and accuracy on several large datasets. On a 40-core Xeon platform, our parallel training achieves $64\times$ speedup (with AVX) in the sampling step and $25\times$ speedup in the feature propagation step, compared to the serial implementation, resulting in a net speedup of $21\times$.
Empirical risk minimization is the main tool for prediction problems, but its extension to relational data remains unsolved. We solve this problem using recent ideas from graph sampling theory to (i) define an empirical risk for relational data and (ii) obtain stochastic gradients for this empirical risk that are automatically unbiased. This is achieved by considering the method by which data is sampled from a graph as an explicit component of model design. By integrating fast implementations of graph sampling schemes with standard automatic differentiation tools, we provide an efficient turnkey solver for the risk minimization problem. We establish basic theoretical properties of the procedure. Finally, we demonstrate relational ERM with application to two non-standard problems: one-stage training for semi-supervised node classification, and learning embedding vectors for vertex attributes. Experiments confirm that the turnkey inference procedure is effective in practice, and that the sampling scheme used for model specification has a strong effect on model performance. Code is available at https://github.com/wooden-spoon/relational-ERM.