Several popular graph embedding techniques for representation learning and dimensionality reduction rely on performing computationally expensive eigendecompositions to derive a nonlinear transformation of the input data space. The resulting eigenvectors encode the embedding coordinates for the training samples only, and so the embedding of novel data samples requires further costly computation. In this paper, we present a method for the out-of-sample extension of graph embeddings using deep neural networks (DNN) to parametrically approximate these nonlinear maps. Compared with traditional nonparametric out-of-sample extension methods, we demonstrate that the DNNs can generalize with equal or better fidelity and require orders of magnitude less computation at test time. Moreover, we find that unsupervised pretraining of the DNNs improves optimization for larger network sizes, thus removing sensitivity to model selection.
The University of Texas at Austin（得克萨斯大学奥斯汀分校）；The University of Tehran（德黑兰大学）；Stanford University（斯坦福大学）
Many problems such as node classification and link prediction in network data can be solved using graph embeddings. However, it is difficult to use graphs to capture non-binary relations such as communities of nodes. These kinds of complex relations are expressed more naturally as hypergraphs. While hypergraphs are a generalization of graphs, state-of-the-art graph embedding techniques are not adequate for solving prediction and classification tasks on large hypergraphs accurately in reasonable time. In this paper, we introduce HyperNetVec, a novel hierarchical framework for scalable unsupervi…
We consider the question of embedding nodes with similar local neighborhoods together in embedding space, commonly referred to as "role embeddings." We propose RAE, an unsupervised framework that learns role embeddings. It combines a within-node loss function and a graph neural network (GNN) architecture to place nodes with similar local neighborhoods close in embedding space. We also propose a faster way of generating negative examples called neighbor shuffling, which quickly creates negative examples directly within batches. These techniques can be easily combined with existing GNN methods t…
Cornell University（康奈尔大学）；Michigan Technological University（密歇根理工大学）；Stevens Institute of Technology（史蒂文斯理工学院）
Graph embedding techniques have been increasingly deployed in a multitude of different applications that involve learning on non-Euclidean data. However, existing graph embedding models either fail to incorporate node attribute information during training or suffer from node attribute noise, which compromises the accuracy. Moreover, very few of them scale to large graphs due to their high computational complexity and memory usage. In this paper we propose GraphZoom, a multi-level framework for improving both accuracy and scalability of unsupervised graph embedding algorithms. GraphZoom first p…
IBM Research（IBM研究院）；CMU（卡内基梅隆大学）；WUSTL（华盛顿大学圣路易斯分校）；GMU（乔治梅森大学）；UDEL（特拉华大学）；Huawei（华为）
Graph kernels are widely used for measuring the similarity between graphs. Many existing graph kernels, which focus on local patterns within graphs rather than their global properties, suffer from significant structure information loss when representing graphs. Some recent global graph kernels, which utilizes the alignment of geometric node embeddings of graphs, yield state-of-the-art performance. However, these graph kernels are not necessarily positive-definite. More importantly, computing the graph kernel matrix will have at least quadratic {time} complexity in terms of the number and the s…
Graph embedding techniques have attracted growing interest since they convert the graph data into continuous and low-dimensional space. Effective graph analytic provides users a deeper understanding of what is behind the data and thus can benefit a variety of machine learning tasks. With the current scale of real-world applications, most graph analytic methods suffer high computation and space costs. These methods and systems can process a network with thousands to a few million nodes. However, scaling to large-scale networks remains a challenge. The complexity of training graph embedding syst…
TU Dortmund University（多特蒙德工业大学）；Stanford University（斯坦福大学）
We present GNNAutoScale (GAS), a framework for scaling arbitrary message-passing GNNs to large graphs. GAS prunes entire sub-trees of the computation graph by utilizing historical embeddings from prior training iterations, leading to constant GPU memory consumption in respect to input node size without dropping any data. While existing solutions weaken the expressive power of message passing due to sub-sampling of edges or non-trainable propagations, our approach is provably able to maintain the expressive power of the original GNN. We achieve this by providing approximation error bounds of hi…
University of Passau（帕绍大学）；Technical University of Munich（慕尼黑工业大学）
Graph embedding has recently gained momentum in the research community, in particular after the introduction of random walk and neural network based approaches. However, most of the embedding approaches focus on representing the local neighborhood of nodes and fail to capture the global graph structure, i.e. to retain the relations to distant nodes. To counter that problem, we propose a novel extension to random walk based graph embedding, which removes a percentage of least frequent nodes from the walks at different levels. By this removal, we simulate farther distant nodes to reside in the c…
University of Michigan（密歇根大学）；University of Queensland（昆士兰大学）；International Computer Science Institute（国际计算机科学研究所）；North Carolina State University（北卡罗来纳州立大学）；University of California at Berkeley（加州大学伯克利分校）；Johns Hopkins University（约翰斯·霍普金斯大学）
Graph embeddings, a class of dimensionality reduction techniques designed for relational data, have proven useful in exploring and modeling network structure. Most dimensionality reduction methods allow out-of-sample extensions, by which an embedding can be applied to observations not present in the training set. Applied to graphs, the out-of-sample extension problem concerns how to compute the embedding of a vertex that is added to the graph after an embedding has already been computed. In this paper, we consider the out-of-sample extension problem for two graph embedding procedures: the adja…
Synerise（赛纳里斯（Synerise公司））；Warsaw University of Technology（华沙理工大学）
The area of graph embeddings is currently dominated by contrastive learning methods, which demand formulation of an explicit objective function and sampling of positive and negative examples. This creates a conceptual and computational overhead. Simple, classic unsupervised approaches like Multidimensional Scaling (MSD) or the Laplacian eigenmap skip the necessity of tedious objective optimization, directly exploiting data geometry. Unfortunately, their reliance on very costly operations such as matrix eigendecomposition make them unable to scale to large graphs that are common in today's digi…
Graph embedding learns low-dimensional representations for nodes in a graph and effectively preserves the graph structure. Recently, a significant amount of progress has been made toward this emerging research area. However, there are several fundamental problems that remain open. First, existing methods fail to preserve the out-degree distributions on directed graphs. Second, many existing methods employ random walk based proximities and thus suffer from conflicting optimization goals on undirected graphs. Finally, existing factorization methods are unable to achieve scalability and non-linea…
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 g…
In graph learning, there have been two predominant inductive biases regarding graph-inspired architectures: On the one hand, higher-order interactions and message passing work well on homophilous graphs and are leveraged by GCNs and GATs. Such architectures, however, cannot easily scale to large real-world graphs. On the other hand, shallow (or node-level) models using ego features and adjacency embeddings work well in heterophilous graphs. In this work, we propose a novel scalable shallow method -- GLINKX -- that can work both on homophilous and heterophilous graphs. GLINKX leverages (i) nove…
Embedding a web-scale information network into a low-dimensional vector space facilitates tasks such as link prediction, classification, and visualization. Past research has addressed the problem of extracting such embeddings by adopting methods from words to graphs, without defining a clearly comprehensible graph-related objective. Yet, as we show, the objectives used in past works implicitly utilize similarity measures among graph nodes. In this paper, we carry the similarity orientation of previous works to its logical conclusion; we propose VERtex Similarity Embeddings (VERSE), a simple, v…
GRAPE for Fast and Scalable Graph Processing and random walk-based Embedding
Università degli Studi di Milano（米兰大学）；CINI, National Laboratory in Artificial Intelligence and Intelligent Systems—AIIS（CINI国家人工智能与智能系统实验室（AIIS））；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）；The Jackson Laboratory for Genomic Medicine（杰克逊基因组医学实验室）；The University of Texas MD Anderson Cancer Center（德克萨斯大学MD安德森癌症中心）；Columbia University Irving Medical Center（哥伦比亚大学欧文医学中心）；University of Granada（格拉纳达大学）
Huawei Technologies, Zurich Research Center（华为技术有限公司苏黎世研究中心）
Logic optimization is an NP-hard problem commonly approached through hand-engineered heuristics. We propose to combine graph convolutional networks with reinforcement learning and a novel, scalable node embedding method to learn which local transforms should be applied to the logic graph. We show that this method achieves a similar size reduction as ABC on smaller circuits and outperforms it by 1.5-1.75x on larger random graphs.
Network representation learning in low dimensional vector space has attracted considerable attention in both academic and industrial domains. Most real-world networks are dynamic with addition/deletion of nodes and edges. The existing graph embedding methods are designed for static networks and they cannot capture evolving patterns in a large dynamic network. In this paper, we propose a dynamic embedding method, dynnode2vec, based on the well-known graph embedding method node2vec. Node2vec is a random walk based embedding method for static networks. Applying static network embedding in dynamic…
Beijing Advanced Innovation Center for Big Data and Brain Computing（北京大数据与脑计算高精尖创新中心）；Beihang University（北京航空航天大学）；HKUST（香港科技大学）
Higher-order proximity preserved network embedding has attracted increasing attention. In particular, due to the superior scalability, random-walk-based network embedding has also been well developed, which could efficiently explore higher-order neighborhoods via multi-hop random walks. However, despite the success of current random-walk-based methods, most of them are usually not expressive enough to preserve the personalized higher-order proximity and lack a straightforward objective to theoretically articulate what and how network proximity is preserved. In this paper, to address the above …
Node embedding is the task of extracting informative and descriptive features over the nodes of a graph. The importance of node embeddings for graph analytics, as well as learning tasks such as node classification, link prediction and community detection, has led to increased interest on the problem leading to a number of recent advances. Much like PCA in the feature domain, node embedding is an inherently \emph{unsupervised} task; in lack of metadata used for validation, practical methods may require standardization and limiting the use of tunable hyperparameters. Finally, node embedding meth…
Bundling, the practice of jointly selling two or more products at a discount, is a widely used strategy in industry and a well examined concept in academia. Historically, the focus has been on theoretical studies in the context of monopolistic firms and assumed product relationships, e.g., complementarity in usage. We develop a new machine-learning-driven methodology for designing bundles in a large-scale, cross-category retail setting. We leverage historical purchases and consideration sets created from clickstream data to generate dense continuous representations of products called embedding…
University of Massachusetts, Amherst（马萨诸塞大学阿默斯特分校）
This paper proposes an out-of-sample extension framework for a global manifold learning algorithm (Isomap) that uses temporal information in out-of-sample points in order to make the embedding more robust to noise and artifacts. Given a set of noise-free training data and its embedding, the proposed framework extends the embedding for a noisy time series. This is achieved by adding a spatio-temporal compactness term to the optimization objective of the embedding. To the best of our knowledge, this is the first method for out-of-sample extension of manifold embeddings that leverages timing info…
Multi-task regression attempts to exploit the task similarity in order to achieve knowledge transfer across related tasks for performance improvement. The application of Gaussian process (GP) in this scenario yields the non-parametric yet informative Bayesian multi-task regression paradigm. Multi-task GP (MTGP) provides not only the prediction mean but also the associated prediction variance to quantify uncertainty, thus gaining popularity in various scenarios. The linear model of coregionalization (LMC) is a well-known MTGP paradigm which exploits the dependency of tasks through linear combin…
University of Electronic Science and Technology of China（电子科技大学）；IBM T.J.Watson Research Center（IBM T.J.沃森研究中心）
Adding attributes for nodes to network embedding helps to improve the ability of the learned joint representation to depict features from topology and attributes simultaneously. Recent research on the joint embedding has exhibited a promising performance on a variety of tasks by jointly embedding the two spaces. However, due to the indispensable requirement of globality based information, present approaches contain a flaw of in-scalability. Here we propose \emph{SANE}, a scalable attribute-aware network embedding algorithm with locality, to learn the joint representation from topology and attr…
In machine learning or statistics, it is often desirable to reduce the dimensionality of a sample of data points in a high dimensional space $\mathbb{R}^d$. This paper introduces a dimensionality reduction method where the embedding coordinates are the eigenvectors of a positive semi-definite kernel obtained as the solution of an infinite dimensional analogue of a semi-definite program. This embedding is adaptive and non-linear. We discuss this problem both with weak and strong smoothness assumptions about the learned kernel. A main feature of our approach is the existence of an out-of-sample …
Large-scale network embedding is to learn a latent representation for each node in an unsupervised manner, which captures inherent properties and structural information of the underlying graph. In this field, many popular approaches are influenced by the skip-gram model from natural language processing. Most of them use a contrastive objective to train an encoder which forces the embeddings of similar pairs to be close and embeddings of negative samples to be far. A key of success to such contrastive learning methods is how to draw positive and negative samples. While negative samples that are…
Lawrence Livermore National Laboratory（劳伦斯利弗莫尔国家实验室）
We present function preserving projections (FPP), a scalable linear projection technique for discovering interpretable relationships in high-dimensional data. Conventional dimension reduction methods aim to maximally preserve the global and/or local geometric structure of a dataset. However, in practice one is often more interested in determining how one or multiple user-selected response function(s) can be explained by the data. To intuitively connect the responses to the data, FPP constructs 2D linear embeddings optimized to reveal interpretable yet potentially non-linear patterns of the res…
Recent state-of-the-art natural language understanding models, such as BERT and XLNet, score a pair of sentences (A and B) using multiple cross-attention operations - a process in which each word in sentence A attends to all words in sentence B and vice versa. As a result, computing the similarity between a query sentence and a set of candidate sentences, requires the propagation of all query-candidate sentence-pairs throughout a stack of cross-attention layers. This exhaustive process becomes computationally prohibitive when the number of candidate sentences is large. In contrast, sentence em…
Nowadays designing a real recommendation system has been a critical problem for both academic and industry. However, due to the huge number of users and items, the diversity and dynamic property of the user interest, how to design a scalable recommendation system, which is able to efficiently produce effective and diverse recommendation results on billion-scale scenarios, is still a challenging and open problem for existing methods. In this paper, given the user-item interaction graph, we propose RNE, a data-efficient Recommendation-based Network Embedding method, to give personalized and dive…
Many popular dimensionality reduction procedures have out-of-sample extensions, which allow a practitioner to apply a learned embedding to observations not seen in the initial training sample. In this work, we consider the problem of obtaining an out-of-sample extension for the adjacency spectral embedding, a procedure for embedding the vertices of a graph into Euclidean space. We present two different approaches to this problem, one based on a least-squares objective and the other based on a maximum-likelihood formulation. We show that if the graph of interest is drawn according to a certain …
Consensus clustering fuses diverse basic partitions (i.e., clustering results obtained from conventional clustering methods) into an integrated one, which has attracted increasing attention in both academic and industrial areas due to its robust and effective performance. Tremendous research efforts have been made to thrive this domain in terms of algorithms and applications. Although there are some survey papers to summarize the existing literature, they neglect to explore the underlying connection among different categories. Differently, in this paper we aim to provide an embedding prospecti…
The current best practice for computing optimal transport (OT) is via entropy regularization and Sinkhorn iterations. This algorithm runs in quadratic time as it requires the full pairwise cost matrix, which is prohibitively expensive for large sets of objects. In this work we propose two effective log-linear time approximations of the cost matrix: First, a sparse approximation based on locality-sensitive hashing (LSH) and, second, a Nyström approximation with LSH-based sparse corrections, which we call locally corrected Nyström (LCN). These approximations enable general log-linear time algori…
With a simple architecture and the ability to learn meaningful word embeddings efficiently from texts containing billions of words, word2vec remains one of the most popular neural language models used today. However, as only a single embedding is learned for every word in the vocabulary, the model fails to optimally represent words with multiple meanings. Additionally, it is not possible to create embeddings for new (out-of-vocabulary) words on the spot. Based on an intuitive interpretation of the continuous bag-of-words (CBOW) word2vec model's negative sampling training objective in terms of …
Graph kernels based on the $1$-dimensional Weisfeiler-Leman algorithm and corresponding neural architectures recently emerged as powerful tools for (supervised) learning with graphs. However, due to the purely local nature of the algorithms, they might miss essential patterns in the given data and can only handle binary relations. The $k$-dimensional Weisfeiler-Leman algorithm addresses this by considering $k$-tuples, defined over the set of vertices, and defines a suitable notion of adjacency between these vertex tuples. Hence, it accounts for the higher-order interactions between vertices. H…
