Multimodal relational data analysis has become of increasing importance in recent years, for exploring across different domains of data, such as images and their text tags obtained from social networking services (e.g., Flickr). A variety of data analysis methods have been developed for visualization; to give an example, t-Stochastic Neighbor Embedding (t-SNE) computes low-dimensional feature vectors so that their similarities keep those of the observed data vectors. However, t-SNE is designed only for a single domain of data but not for multimodal data; this paper aims at visualizing multimodal relational data consisting of data vectors in multiple domains with relations across these vectors. By extending t-SNE, we herein propose Multimodal Relational Stochastic Neighbor Embedding (MR-SNE), that (1) first computes augmented relations, where we observe the relations across domains and compute those within each of domains via the observed data vectors, and (2) jointly embeds the augmented relations to a low-dimensional space. Through visualization of Flickr and Animal with Attributes 2 datasets, proposed MR-SNE is compared with other graph embedding-based approaches; MR-SNE demonstrates the promising performance.
Beihang University（北京航空航天大学）；University of Illinois at Chicago（伊利诺伊大学芝加哥分校）；University of Leeds（利兹大学）
Graph Neural Networks (GNNs) have been widely used for the representation learning of various structured graph data. While promising, most existing GNNs oversimplified the complexity and diversity of the edges in the graph, and thus inefficient to cope with ubiquitous heterogeneous graphs, which are typically in the form of multi-relational graph representations. In this paper, we propose RioGNN, a novel Reinforced, recursive and flexible neighborhood selection guided multi-relational Graph Neural Network architecture, to navigate complexity of neural network structures whilst maintaining rela…
Knowledge graph completion aims to predict missing relations between entities in a knowledge graph. In this work, we propose a relational message passing method for knowledge graph completion. Different from existing embedding-based methods, relational message passing only considers edge features (i.e., relation types) without entity IDs in the knowledge graph, and passes relational messages among edges iteratively to aggregate neighborhood information. Specifically, two kinds of neighborhood topology are modeled for a given entity pair under the relational message passing framework: (1) Relat…
Dimensionality reduction of spatial omic data can reveal shared, spatially structured patterns of expression across a collection of genomic features. We study strategies for discovering and interactively visualizing low-dimensional structure in spatial omic data based on the construction of neighborhood features. We design quantile and network-based spatial features that result in spatially consistent embeddings. A simulation compares embeddings made with and without neighborhood-based featurization, and a re-analysis of [Keren et al., 2019] illustrates the overall workflow. We provide an R pa…
We present discriminative Gaifman models, a novel family of relational machine learning models. Gaifman models learn feature representations bottom up from representations of locally connected and bounded-size regions of knowledge bases (KBs). Considering local and bounded-size neighborhoods of knowledge bases renders logical inference and learning tractable, mitigates the problem of overfitting, and facilitates weight sharing. Gaifman models sample neighborhoods of knowledge bases so as to make the learned relational models more robust to missing objects and relations which is a common situat…
University of Virginia（弗吉尼亚大学）；Microsoft Research（微软研究院）；Microsoft Bing Ads（微软必应广告）
This paper examines the challenging problem of learning representations of entities and relations in a complex multi-relational knowledge graph. We propose HittER, a Hierarchical Transformer model to jointly learn Entity-relation composition and Relational contextualization based on a source entity's neighborhood. Our proposed model consists of two different Transformer blocks: the bottom block extracts features of each entity-relation pair in the local neighborhood of the source entity and the top block aggregates the relational information from outputs of the bottom block. We further design …
\' E cole Polytechnique F\' e d\' e rale de Lausanne (EPFL), Lausanne, Switzerland
Recent years have witnessed a rise in real-world data captured with rich structural information that can be conveniently depicted by multi-relational graphs. While inference of continuous node features across a simple graph is rather under-studied by the current relational learning research, we go one step further and focus on node regression problem on multi-relational graphs. We take inspiration from the well-known label propagation algorithm aiming at completing categorical features across a simple graph and propose a novel propagation framework for completing missing continuous features at…
We propose a unified view on two widely used data visualization techniques: Self-Organizing Maps (SOMs) and Stochastic Neighbor Embedding (SNE). We show that they can both be derived from a common mathematical framework. Leveraging this formulation, we propose to compare SOM and SNE quantitatively on two datasets, and discuss possible avenues for future work to take advantage of both approaches.
University of Massachusetts Amherst（马萨诸塞大学阿默斯特分校）；IBM Research（IBM研究院）；MIT-IBM Watson AI Lab（麻省理工学院-IBM沃森人工智能实验室）；Goldman Sachs（高盛）；OPKO Diagnostics（OPKO诊断公司）
Sampling is an established technique to scale graph neural networks to large graphs. Current approaches however assume the graphs to be homogeneous in terms of relations and ignore relation types, critically important in biomedical graphs. Multi-relational graphs contain various types of relations that usually come with variable frequency and have different importance for the problem at hand. We propose an approach to modeling the importance of relation types for neighborhood sampling in graph neural networks and show that we can learn the right balance: relation-type probabilities that reflec…
Uber Advanced Technologies Group（优步先进技术集团）；University of Toronto（多伦多大学）
In this paper, we tackle the problem of relational behavior forecasting from sensor data. Towards this goal, we propose a novel spatially-aware graph neural network (SpAGNN) that models the interactions between agents in the scene. Specifically, we exploit a convolutional neural network to detect the actors and compute their initial states. A graph neural network then iteratively updates the actor states via a message passing process. Inspired by Gaussian belief propagation, we design the messages to be spatially-transformed parameters of the output distributions from neighboring agents. Our m…
Graph representation learning has become a prominent tool for the characterization and understanding of the structure of networks in general and social networks in particular. Typically, these representation learning approaches embed the networks into a low-dimensional space in which the role of each individual can be characterized in terms of their latent position. A major current concern in social networks is the emergence of polarization and filter bubbles promoting a mindset of "us-versus-them" that may be defined by extreme positions believed to ultimately lead to political violence and t…
Princeton University（普林斯顿大学）；University of Texas at Dallas（德克萨斯大学达拉斯分校）
Graph neural networks (GNNs) have emerged as a powerful tool for graph classification and representation learning. However, GNNs tend to suffer from over-smoothing problems and are vulnerable to graph perturbations. To address these challenges, we propose a novel topological neural framework of topological relational inference (TRI) which allows for integrating higher-order graph information to GNNs and for systematically learning a local graph structure. The key idea is to rewire the original graph by using the persistent homology of the small neighborhoods of nodes and then to incorporate th…
Rel-MOSS: Towards Imbalanced Relational Deep Learning on Relational Databases
Department of Data Science and Artificial Intelligence（数据科学与人工智能系）；Hong Kong Polytechnic University（香港理工大学）；School of Computer Science and Engineering（计算机科学与工程学院）；Central South University（中南大学）；School of Information and Communication Technology（信息与通信技术学院）；Griffith University（格里菲斯大学）；National Super Computing Center（国家超级计算中心）
Dynamical systems in which local interactions among agents give rise to complex emerging phenomena are ubiquitous in nature and society. This work explores the problem of inferring the unknown interaction structure (represented as a graph) of such a system from measurements of its constituent agents or individual components (represented as nodes). We consider a setting where the underlying dynamical model is unknown and where different measurements (i.e., snapshots) may be independent (e.g., may stem from different experiments). We propose GINA (Graph Inference Network Architecture), a graph n…
Lawrence Livermore National Laboratory（劳伦斯利弗莫尔国家实验室）；SCI Institute, University of Utah（犹他大学SCI研究所）
With the rapid adoption of machine learning techniques for large-scale applications in science and engineering comes the convergence of two grand challenges in visualization. First, the utilization of black box models (e.g., deep neural networks) calls for advanced techniques in exploring and interpreting model behaviors. Second, the rapid growth in computing has produced enormous datasets that require techniques that can handle millions or more samples. Although some solutions to these interpretability challenges have been proposed, they typically do not scale beyond thousands of samples, nor…
University of Vienna（维也纳大学）；Austrian Research Institute for Artificial Intelligence (OFAI)（奥地利人工智能研究所（OFAI））
This paper introduces scikit-hubness, a Python package for efficient nearest neighbor search in high-dimensional spaces. Hubness is an aspect of the curse of dimensionality, and is known to impair various learning tasks, including classification, clustering, and visualization. scikit-hubness provides algorithms for hubness analysis ("Is my data affected by hubness?"), hubness reduction ("How can we improve neighbor retrieval in high dimensions?"), and approximate neighbor search ("Does it work for large data sets?"). It is integrated into the scikit-learn environment, enabling rapid adoption b…
Entity alignment aims at integrating heterogeneous knowledge from different knowledge graphs. Recent studies employ embedding-based methods by first learning the representation of Knowledge Graphs and then performing entity alignment via measuring the similarity between entity embeddings. However, they failed to make good use of the relation semantic information due to the trade-off problem caused by the different objectives of learning knowledge embedding and neighborhood consensus. To address this problem, we propose Relational Knowledge Distillation for Entity Alignment (RKDEA), a Graph Con…
The Resource Description Framework (RDF) is a framework for describing metadata, such as attributes and relationships of resources on the Web. Machine learning tasks for RDF graphs adopt three methods: (i) support vector machines (SVMs) with RDF graph kernels, (ii) RDF graph embeddings, and (iii) relational graph convolutional networks. In this paper, we propose a novel feature vector (called a Skip vector) that represents some features of each resource in an RDF graph by extracting various combinations of neighboring edges and nodes. In order to make the Skip vector low-dimensional, we select…
The problem of identifying geometric structure in heterogeneous, high-dimensional data is a cornerstone of representation learning. While there exists a large body of literature on the embeddability of canonical graphs, such as lattices or trees, the heterogeneity of the relational data typically encountered in practice limits the applicability of these classical methods. In this paper, we propose a combinatorial approach to evaluating embeddability, i.e., to decide whether a data set is best represented in Euclidean, Hyperbolic or Spherical space. Our method analyzes nearest-neighbor structur…
Relational Knowledge Distillation Brings DNN Representations Close Enough to Humans to Be Aligned Without Supervision
Graduate School of Arts and Sciences, The University of Tokyo（东京大学文学部与科学研究科）；Graduate School of Engineering Science, The University of Osaka（大阪大学工程科学研究科）
Zhejiang University（浙江大学）；University of Science and Technology of China（中国科学技术大学）；Tsinghua University（清华大学）
Knowledge Distillation (KD) aims at transferring knowledge from a larger well-optimized teacher network to a smaller learnable student network.Existing KD methods have mainly considered two types of knowledge, namely the individual knowledge and the relational knowledge. However, these two types of knowledge are usually modeled independently while the inherent correlations between them are largely ignored. It is critical for sufficient student network learning to integrate both individual knowledge and relational knowledge while reserving their inherent correlation. In this paper, we propose t…
University of Maryland, College Park（马里兰大学帕克分校）；University of California, Santa Cruz（加利福尼亚大学圣克鲁兹分校）
A neighborhood graph, which represents the instances as vertices and their relations as weighted edges, is the basis of many semi-supervised and relational models for node labeling and link prediction. Most methods employ a sequential process to construct the neighborhood graph. This process often consists of generating a candidate graph, pruning the candidate graph to make a neighborhood graph, and then performing inference on the variables (i.e., nodes) in the neighborhood graph. In this paper, we propose a framework that can dynamically adapt the neighborhood graph based on the states of va…
The Hong Kong Polytechnic University（香港理工大学）；University of Hong Kong（香港大学）；The Hong Kong Polytechnic University Shenzhen Research Institute（香港理工大学深圳研究院）；Research Institute for Sustainable Urban Development, The Hong Kong Polytechnic University（香港理工大学可持续城市发展研究院）
Accurate short-term traffic prediction plays a pivotal role in various smart mobility operation and management systems. Currently, most of the state-of-the-art prediction models are based on graph neural networks (GNNs), and the required training samples are proportional to the size of the traffic network. In many cities, the available amount of traffic data is substantially below the minimum requirement due to the data collection expense. It is still an open question to develop traffic prediction models with a small size of training data on large-scale networks. We notice that the traffic sta…
NTT Communication Science Laboratories（NTT通信科学实验室）
We propose an unsupervised object matching method for relational data, which finds matchings between objects in different relational datasets without correspondence information. For example, the proposed method matches documents in different languages in multi-lingual document-word networks without dictionaries nor alignment information. The proposed method assumes that each object has latent vectors, and the probability of neighbor objects is modeled by the inner-product of the latent vectors, where the neighbors are generated by short random walks over the relations. The latent vectors are e…
Studies on acquiring appropriate continuous representations of discrete objects, such as graphs and knowledge base data, have been conducted by many researchers in the field of machine learning. In this study, we introduce Nested SubSpace (NSS) arrangement, a comprehensive framework for representation learning. We show that existing embedding techniques can be regarded as special cases of the NSS arrangement. Based on the concept of the NSS arrangement, we implement a Disk-ANChor ARrangement (DANCAR), a representation learning method specialized to reproducing general graphs. Numerical experim…
EmbedOR: Provable Cluster-Preserving Visualizations with Curvature-Based Stochastic Neighbor Embeddings
Department of Computer Science, Columbia University（哥伦比亚大学计算机科学系）；Department of Statistics & Data Science, Wu Tsai Institute, Yale University（耶鲁大学统计与数据科学系、吴氏研究所）；Department of Machine Learning, University of Fribourg（弗里堡大学机器学习系）；Department of Mathematics, Columbia University（哥伦比亚大学数学系）；Irving Institute for Cancer Dynamics, Columbia University（哥伦比亚大学癌症动力学研究所）
Norwegian University of Science and Technology（挪威科技大学）；Aalto University（阿尔托大学）；Finnish Geospatial Research Institute（芬兰地理空间研究所）；University of Oslo（奥斯陆大学）；Wellcome Sanger Institute（威康桑格研究所）；University of Helsinki（赫尔辛基大学）
Neighbor Embedding (NE) aims to preserve pairwise similarities between data items and has been shown to yield an effective principle for data visualization. However, even the best existing NE methods such as Stochastic Neighbor Embedding (SNE) may leave large-scale patterns hidden, for example clusters, despite strong signals being present in the data. To address this, we propose a new cluster visualization method based on the Neighbor Embedding principle. We first present a family of Neighbor Embedding methods that generalizes SNE by using non-normalized Kullback-Leibler divergence with a sca…
Sorbonne Université（索邦大学）；CNRS（法国国家科学研究中心）；Heuritech（赫瑞泰克公司）；Conservatoire National des Arts et Métiers（法国国立工艺学院）
Multimodal attentional networks are currently state-of-the-art models for Visual Question Answering (VQA) tasks involving real images. Although attention allows to focus on the visual content relevant to the question, this simple mechanism is arguably insufficient to model complex reasoning features required for VQA or other high-level tasks. In this paper, we propose MuRel, a multimodal relational network which is learned end-to-end to reason over real images. Our first contribution is the introduction of the MuRel cell, an atomic reasoning primitive representing interactions between question…
Visualizing high-dimensional data is an essential task in Data Science and Machine Learning. The Centroid-Encoder (CE) method is similar to the autoencoder but incorporates label information to keep objects of a class close together in the reduced visualization space. CE exploits nonlinearity and labels to encode high variance in low dimensions while capturing the global structure of the data. We present a detailed analysis of the method using a wide variety of data sets and compare it with other supervised dimension reduction techniques, including NCA, nonlinear NCA, t-distributed NCA, t-dist…
Aalto University（阿尔托大学）；Australian National University（澳大利亚国立大学）；University of Oslo（奥斯陆大学）；University of Helsinki（赫尔辛基大学）；Norwegian University of Science and Technology（挪威科技大学）
Stochastic Neighbor Embedding (SNE) methods minimize the divergence between the similarity matrix of a high-dimensional data set and its counterpart from a low-dimensional embedding, leading to widely applied tools for data visualization. Despite their popularity, the current SNE methods experience a crowding problem when the data include highly imbalanced similarities. This implies that the data points with higher total similarity tend to get crowded around the display center. To solve this problem, we introduce a fast normalization method and normalize the similarity matrix to be doubly stoc…
University of California, Riverside（加州大学河滨分校）；University of New Mexico（新墨西哥大学）
Since its introduction, unsupervised representation learning has attracted a lot of attention from the research community, as it is demonstrated to be highly effective and easy-to-apply in tasks such as dimension reduction, clustering, visualization, information retrieval, and semi-supervised learning. In this work, we propose a novel unsupervised representation learning framework called neighbor-encoder, in which domain knowledge can be easily incorporated into the learning process without modifying the general encoder-decoder architecture of the classic autoencoder.In contrast to autoencoder…
Osaka University（大阪大学）；JST, PRESTO（日本科学技术振兴机构先驱研究计划）；RIKEN Center for Quantum Computing（理化学研究所量子计算中心）
t-Stochastic Neighbor Embedding (t-SNE) is a non-parametric data visualization method in classical machine learning. It maps the data from the high-dimensional space into a low-dimensional space, especially a two-dimensional plane, while maintaining the relationship, or similarities, between the surrounding points. In t-SNE, the initial position of the low-dimensional data is randomly determined, and the visualization is achieved by moving the low-dimensional data to minimize a cost function. Its variant called parametric t-SNE uses neural networks for this mapping. In this paper, we propose t…
Southwestern University of Finance and Economics（西南财经大学）；Beihang University（北京航空航天大学）；Kuaishou Technology（快手科技）
Bi-type multi-relational heterogeneous graph (BMHG) is one of the most common graphs in practice, for example, academic networks, e-commerce user behavior graph and enterprise knowledge graph. It is a critical and challenge problem on how to learn the numerical representation for each node to characterize subtle structures. However, most previous studies treat all node relations in BMHG as the same class of relation without distinguishing the different characteristics between the intra-class relations and inter-class relations of the bi-typed nodes, causing the loss of significant structure in…
Embeddings mapping high-dimensional discrete input to lower-dimensional continuous vector spaces have been widely adopted in machine learning applications as a way to capture domain semantics. Interviewing 13 embedding users across disciplines, we find comparing embeddings is a key task for deployment or downstream analysis but unfolds in a tedious fashion that poorly supports systematic exploration. In response, we present the Embedding Comparator, an interactive system that presents a global comparison of embedding spaces alongside fine-grained inspection of local neighborhoods. It systemati…
We present a new method GTSNE to visualize high-dimensional data points in the two dimensional map. The technique is a variation of t-SNE that produces better visualizations by capturing both the local neighborhood structure and the macro structure in the data. This is particularly important for high-dimensional data that lie on continuous low-dimensional manifolds. We illustrate the performance of GTSNE on a wide variety of datasets and compare it the state of art methods, including t-SNE and UMAP. The visualizations produced by GTSNE are better than those produced by the other techniques on …
Here, we propose an unsupervised fuzzy rule-based dimensionality reduction method primarily for data visualization. It considers the following important issues relevant to dimensionality reduction-based data visualization: (i) preservation of neighborhood relationships, (ii) handling data on a non-linear manifold, (iii) the capability of predicting projections for new test data points, (iv) interpretability of the system, and (v) the ability to reject test points if required. For this, we use a first-order Takagi-Sugeno type model. We generate rule antecedents using clusters in the input data.…
In contrast to classical techniques for exploratory analysis of high-dimensional data sets, such as principal component analysis (PCA), neighbor embedding (NE) techniques tend to better preserve the local structure/topology of high-dimensional data. However, the ability to preserve local structure comes at the expense of interpretability: Techniques such as t-Distributed Stochastic Neighbor Embedding (t-SNE) or Uniform Manifold Approximation and Projection (UMAP) do not give insights into which input variables underlie the topological (cluster) structure seen in the corresponding embedding. We…
University of Massachusetts Lowell（马萨诸塞大学洛厄尔分校）；University of Colorado Boulder（科罗拉多大学博尔德分校）
A fundamental task in machine learning involves visualizing high-dimensional data sets that arise in high-impact application domains. When considering the context of large imbalanced data, this problem becomes much more challenging. In this paper, the t-Distributed Stochastic Neighbor Embedding (t-SNE) algorithm is used to reduce the dimensions of an earthquake engineering related data set for visualization purposes. Since imbalanced data sets greatly affect the accuracy of classifiers, we employ Synthetic Minority Oversampling Technique (SMOTE) to tackle the imbalanced nature of such data set…
