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 digital world. In this paper we present Cleora: an algorithm which gets the best of two worlds, being both unsupervised and highly scalable. We show that high quality embeddings can be produced without the popular step-wise learning framework with example sampling. An intuitive learning objective of our algorithm is that a node should be similar to its neighbors, without explicitly pushing disconnected nodes apart. The objective is achieved by iterative weighted averaging of node neigbors' embeddings, followed by normalization across dimensions. Thanks to the averaging operation the algorithm makes rapid strides across the embedding space and usually reaches optimal embeddings in just a few iterations. Cleora runs faster than other state-of-the-art CPU algorithms and produces embeddings of competitive quality as measured on downstream tasks: link prediction and node classification. We show that Cleora learns a data abstraction that is similar to contrastive methods, yet at much lower computational cost. We open-source Cleora under the MIT license allowing commercial use under https://github.com/Synerise/cleora.
Systems Research Institute, Polish Academy of Sciences（波兰科学院系统研究所）；Faculty of Mathematics and Information Science, Warsaw University of Technology（华沙理工大学数学与信息科学学院）；Synerise（Synerise公司）；Faculty of Physics and Applied Computer Science, AGH University of Science and Technology（AGH科技大学物理与应用计算机科学学院）
Recent years brought an increasing interest in the application of machine learning algorithms in e-commerce, omnichannel marketing, and the sales industry. It is not only to the algorithmic advances but also to data availability, representing transactions, users, and background product information. Finding products related in different ways, i.e., substitutes and complements is essential for users' recommendations at the vendor's site and for the vendor - to perform efficient assortment optimization. The paper introduces a novel method for finding products' substitutes and complements based on…
Self-supervised representation learning techniques utilize large datasets without semantic annotations to learn meaningful, universal features that can be conveniently transferred to solve a wide variety of downstream supervised tasks. In this paper, we propose a self-supervised method for learning representations of geographic locations from unlabeled GPS trajectories to solve downstream geospatial computer vision tasks. Tiles resulting from a raster representation of the earth's surface are modeled as nodes on a graph or pixels of an image. GPS trajectories are modeled as allowed Markovian p…
UiT the Arctic University of Norway（挪威北极圈大学）；NORCE Norwegian Research Centre（挪威研究中心NORCE）；Politecnico di Milano（米兰理工大学）
Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in most spatiotemporal GNNs, the computational complexity scales up to a quadratic factor with the length of the sequence times the number of links in the graph, hence hindering the application of these models to large graphs and long temporal sequences. While methods to improve scalability have been proposed in the context of static graphs, few research effort…
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…
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…
Self-supervised representation learning techniques utilize large datasets without semantic annotations to learn meaningful, universal features that can be conveniently transferred to solve a wide variety of downstream supervised tasks. In this work, we propose a self-supervised method for learning representations of geographic locations from unlabeled GPS trajectories to solve downstream geospatial computer vision tasks. Tiles resulting from a raster representation of the earth's surface are modeled as nodes on a graph or pixels of an image. GPS trajectories are modeled as allowed Markovian pa…
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…
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…
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…
Human Language Technology Center of Excellence（卓越人类语言技术中心）
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 nonp…
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…
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…
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.
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…
Massachusetts Institute of Technology（麻省理工学院）；Istituto Italiano di Tecnologia（意大利技术研究院）；Universita Degli Studi Di Genova（热那亚大学）
Learning embeddings of entities and relations is an efficient and versatile method to perform machine learning on relational data such as knowledge graphs. In this work, we propose holographic embeddings (HolE) to learn compositional vector space representations of entire knowledge graphs. The proposed method is related to holographic models of associative memory in that it employs circular correlation to create compositional representations. By using correlation as the compositional operator HolE can capture rich interactions but simultaneously remains efficient to compute, easy to train, and…
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…
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）
MediaGamma（MediaGamma公司）；University College London（伦敦大学学院）
Recent advances in Neural Variational Inference allowed for a renaissance in latent variable models in a variety of domains involving high-dimensional data. While traditional variational methods derive an analytical approximation for the intractable distribution over the latent variables, here we construct an inference network conditioned on the symbolic representation of entities and relation types in the Knowledge Graph, to provide the variational distributions. The new framework results in a highly-scalable method. Under a Bernoulli sampling framework, we provide an alternative justificatio…
The network embedding problem that maps nodes in a graph to vectors in Euclidean space can be very useful for addressing several important tasks on a graph. Recently, graph neural networks (GNNs) have been proposed for solving such a problem. However, most embedding algorithms and GNNs are difficult to interpret and do not scale well to handle millions of nodes. In this paper, we tackle the problem from a new perspective based on the equivalence of three constrained optimization problems: the network embedding problem, the trace maximization problem of the modularity matrix in a sampled graph,…
Generative models of graph structure have applications in biology and social sciences. The state of the art is GraphRNN, which decomposes the graph generation process into a series of sequential steps. While effective for modest sizes, it loses its permutation invariance for larger graphs. Instead, we present a permutation invariant latent-variable generative model relying on graph embeddings to encode structure. Using tools from the random graph literature, our model is highly scalable to large graphs with likelihood evaluation and generation in $O(|V | + |E|)$.
Embedding-Aware Quantum-Classical SVMs for Scalable Quantum Machine Learning
National Irish Centre for AI (CeADAR), University College Dublin (UCD), Dublin, Ireland（爱尔兰人工智能国家中心（CeADAR）、都柏林大学（UCD））；SISTEMIC Research Group, University of Antioquia, Medellín, Colombia（SISTEMIC研究组、安蒂奎亚大学）；Department of Computer Science, University of Torino, Torino, Italy（计算机科学系、托里诺大学）；Corporation for Aerospace Initiatives (CASIRI), University of Cauca, Popayán, Colombia（航空航天倡议公司（CASIRI）、考卡大学）
SCARCE: Scalable Cascade Analysis for Rare-event Characterisation via Embeddings
University of Liverpool, UK（利物浦大学）；UK AI Security Institute, UK（英国人工智能安全研究所）；Loughborough University, UK（洛桑大学）；Department of Computer Science, Vanderbilt University, USA（范德比大学计算机科学系）
A*Net: A Scalable Path-based Reasoning Approach for Knowledge Graphs
Mila - Québec AI Institute（魁北克人工智能研究所）；University of Montréal（蒙特利尔大学）；Intel AI Lab（英特尔人工智能实验室）；Peking University（北京大学）；LG Electronics AI Lab（LG电子人工智能实验室）；HEC Montréal（蒙特利尔高等商学院）；CIFAR AI Chair（CIFAR人工智能讲席）
The kernel $k$-means is an effective method for data clustering which extends the commonly-used $k$-means algorithm to work on a similarity matrix over complex data structures. The kernel $k$-means algorithm is however computationally very complex as it requires the complete data matrix to be calculated and stored. Further, the kernelized nature of the kernel $k$-means algorithm hinders the parallelization of its computations on modern infrastructures for distributed computing. In this paper, we are defining a family of kernel-based low-dimensional embeddings that allows for scaling kernel $k$…
Medical University of Vienna（维也纳医科大学）；University Mannheim（曼海姆大学）
Neural embedding-based machine learning models have shown promise for predicting novel links in biomedical knowledge graphs. Unfortunately, their practical utility is diminished by their lack of interpretability. Recently, the fully interpretable, rule-based algorithm AnyBURL yielded highly competitive results on many general-purpose link prediction benchmarks. However, its applicability to large-scale prediction tasks on complex biomedical knowledge bases is limited by long inference times and difficulties with aggregating predictions made by multiple rules. We improve upon AnyBURL by introdu…
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…
KTH Royal Institute of Technology（瑞典皇家理工学院）；SEB Group（SEB集团）
Structural node embeddings, vectors capturing local connectivity information for each node in a graph, have many applications in data mining and machine learning, e.g., network alignment and node classification, clustering and anomaly detection. For the analysis of directed graphs, e.g., transactions graphs, communication networks and social networks, the capability to capture directional information in the structural node embeddings is highly desirable, as is scalability of the embedding extraction method. Most existing methods are nevertheless only designed for undirected graph. Therefore, w…
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 …
The version identification (VI) task deals with the automatic detection of recordings that correspond to the same underlying musical piece. Despite many efforts, VI is still an open problem, with much room for improvement, specially with regard to combining accuracy and scalability. In this paper, we present MOVE, a musically-motivated method for accurate and scalable version identification. MOVE achieves state-of-the-art performance on two publicly-available benchmark sets by learning scalable embeddings in an Euclidean distance space, using a triplet loss and a hard triplet mining strategy. …
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…
