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) Relational context, which captures the relation types of edges adjacent to the given entity pair; (2) Relational paths, which characterize the relative position between the given two entities in the knowledge graph. The two message passing modules are combined together for relation prediction. Experimental results on knowledge graph benchmarks as well as our newly proposed dataset show that, our method PathCon outperforms state-of-the-art knowledge graph completion methods by a large margin. PathCon is also shown applicable to inductive settings where entities are not seen in training stage, and it is able to provide interpretable explanations for the predicted results. The code and all datasets are available at https://github.com/hwwang55/PathCon.
Demystifying Topological Message-Passing with Relational Structures: A Case Study on Oversquashing in Simplicial Message-Passing
Max Planck Institute for Mathematics in the Sciences（马克斯·普朗克数学研究所）；UCLA（加州大学洛杉矶分校）；Center for Scalable Data Analytics and Artificial Intelligence（可扩展数据与人工智能中心）；University of Oxford（牛津大学）
TU Dresden（德累斯顿工业大学）；Fraunhofer IAIS（弗劳恩霍夫应用信息学研究所）；University of Bonn（波恩大学）
Hyper-relational knowledge graphs (KGs) (e.g., Wikidata) enable associating additional key-value pairs along with the main triple to disambiguate, or restrict the validity of a fact. In this work, we propose a message passing based graph encoder - StarE capable of modeling such hyper-relational KGs. Unlike existing approaches, StarE can encode an arbitrary number of additional information (qualifiers) along with the main triple while keeping the semantic roles of qualifiers and triples intact. We also demonstrate that existing benchmarks for evaluating link prediction (LP) performance on hyper…
Neural Processes (NPs) are powerful and flexible models able to incorporate uncertainty when representing stochastic processes, while maintaining a linear time complexity. However, NPs produce a latent description by aggregating independent representations of context points and lack the ability to exploit relational information present in many datasets. This renders NPs ineffective in settings where the stochastic process is primarily governed by neighbourhood rules, such as cellular automata (CA), and limits performance for any task where relational information remains unused. We address this…
Representing entities and relations in an embedding space is a well-studied approach for machine learning on relational data. Existing approaches, however, primarily focus on simple link structure between a finite set of entities, ignoring the variety of data types that are often used in knowledge bases, such as text, images, and numerical values. In this paper, we propose multimodal knowledge base embeddings (MKBE) that use different neural encoders for this variety of observed data, and combine them with existing relational models to learn embeddings of the entities and multimodal data. Furt…
Université Paris-Est（巴黎东大学）；Ecole des Ponts ParisTech（巴黎高科桥路学院）；Facebook AI Research（Facebook人工智能研究院）；Swiss Data Science Center（瑞士数据科学中心）；EPFL（洛桑联邦理工学院）；ETH Zürich（苏黎世联邦理工学院）
Most algorithms for representation learning and link prediction in relational data have been designed for static data. However, the data they are applied to usually evolves with time, such as friend graphs in social networks or user interactions with items in recommender systems. This is also the case for knowledge bases, which contain facts such as (US, has president, B. Obama, [2009-2017]) that are valid only at certain points in time. For the problem of link prediction under temporal constraints, i.e., answering queries such as (US, has president, ?, 2012), we propose a solution inspired by…
Data61, CSIRO（澳大利亚联邦科学与工业研究组织Data61）；Hangzhou Dianzi University（杭州电子科技大学）；University of Technology Sydney（悉尼科技大学）；University of Sydney（悉尼大学）
Community is a common characteristic of networks including social networks, biological networks, computer and information networks, to name a few. Community detection is a basic step for exploring and analysing these network data. Typically, homogenous network is a type of networks which consists of only one type of objects with one type of links connecting them. There has been a large body of developments in models and algorithms to detect communities over it. However, real-world networks naturally exhibit heterogeneous qualities appearing as multiple types of objects with multi-relational li…
Modern methods for learning over graph input data have shown the fruitfulness of accounting for relationships among elements in a collection. However, most methods that learn over set input data use only rudimentary approaches to exploit intra-collection relationships. In this work we introduce Deep Message Passing on Sets (DMPS), a novel method that incorporates relational learning for sets. DMPS not only connects learning on graphs with learning on sets via deep kernel learning, but it also bridges message passing on sets and traditional diffusion dynamics commonly used in denoising models. …
Different from traditional knowledge graphs (KGs) where facts are represented as entity-relation-entity triplets, hyper-relational KGs (HKGs) allow triplets to be associated with additional relation-entity pairs (a.k.a qualifiers) to convey more complex information. How to effectively and efficiently model the triplet-qualifier relationship for prediction tasks such as HKG completion is an open challenge for research. This paper proposes to improve the best-performing method in HKG completion, namely STARE, by introducing two novel revisions: (1) Replacing the computation-heavy graph neural ne…
The existing literature on knowledge graph completion mostly focuses on the link prediction task. However, knowledge graphs have an additional incompleteness problem: their nodes possess numerical attributes, whose values are often missing. Our approach, denoted as MrAP, imputes the values of missing attributes by propagating information across the multi-relational structure of a knowledge graph. It employs regression functions for predicting one node attribute from another depending on the relationship between the nodes and the type of the attributes. The propagation mechanism operates iterat…
ContextGNN goes to Elliot: Towards Benchmarking Relational Deep Learning for Static Link Prediction (aka Personalized Item Recommendation)
University of Barcelona（巴塞罗那大学）；University of Southern California（南加州大学）；Université Paris-Saclay（巴黎萨克雷大学）；CentraleSupélec（中央理工-高等电力学院）；Inria（法国国家信息与自动化研究所）
Many complex processes can be viewed as dynamical systems of interacting agents. In many cases, only the state sequences of individual agents are observed, while the interacting relations and the dynamical rules are unknown. The neural relational inference (NRI) model adopts graph neural networks that pass messages over a latent graph to jointly learn the relations and the dynamics based on the observed data. However, NRI infers the relations independently and suffers from error accumulation in multi-step prediction at dynamics learning procedure. Besides, relation reconstruction without prior…
Nanyang Technological University（南洋理工大学）；SenseTime Research（商汤科技研究院）；Shanghai AI Laboratory（上海人工智能实验室）
Real-scanned point clouds are often incomplete due to viewpoint, occlusion, and noise. Existing point cloud completion methods tend to generate global shape skeletons and hence lack fine local details. Furthermore, they mostly learn a deterministic partial-to-complete mapping, but overlook structural relations in man-made objects. To tackle these challenges, this paper proposes a variational framework, Variational Relational point Completion network (VRCNet) with two appealing properties: 1) Probabilistic Modeling. In particular, we propose a dual-path architecture to enable principled probabi…
Tsinghua University（清华大学）；Tencent（腾讯）；Carnegie Mellon University（卡内基梅隆大学）；Frontier Science Center for Quantum Information（量子信息前沿科学中心）；RIKEN Center for Emergent Matter Science（理化学研究所新兴物质科学中心）
With many frameworks based on message passing neural networks proposed to predict molecular and bulk properties, machine learning methods have tremendously shifted the paradigms of computational sciences underpinning physics, material science, chemistry, and biology. While existing machine learning models have yielded superior performances in many occasions, most of them model and process molecular systems in terms of homogeneous graph, which severely limits the expressive power for representing diverse interactions. In practice, graph data with multiple node and edge types is ubiquitous and m…
University of Technology Sydney（悉尼科技大学）；Alibaba DAMO Academy（阿里巴巴达摩院）
Contemporary data-driven methods are typically fed with full supervision on large-scale datasets which limits their applicability. However, in the actual systems with limitations such as measurement error and data acquisition problems, people usually obtain incomplete data. Although data completion has attracted wide attention, the underlying data pattern and relativity are still under-developed. Currently, the family of latent variable models allows learning deep latent variables over observed variables by fitting the marginal distribution. As far as we know, current methods fail to perceive …
We develop a message-passing algorithm for noisy matrix completion problems based on matrix factorization. The algorithm is derived by approximating message distributions of belief propagation with Gaussian distributions that share the same first and second moments. We also derive a memory-friendly version of the proposed algorithm by applying a perturbation treatment commonly used in the literature of approximate message passing. In addition, a damping technique, which is demonstrated to be crucial for optimal performance, is introduced without computational strain, and the relationship to th…
A new message-passing (MP) method is considered for the matrix completion problem associated with recommender systems. We attack the problem using a (generative) factor graph model that is related to a probabilistic low-rank matrix factorization. Based on the model, we propose a new algorithm, termed IMP, for the recovery of a data matrix from incomplete observations. The algorithm is based on a clustering followed by inference via MP (IMP). The algorithm is compared with a number of other matrix completion algorithms on real collaborative filtering (e.g., Netflix) data matrices. Our results s…
Duke University（杜克大学）；Microsoft Research（微软研究院）；Microsoft Bing Ads（微软必应广告）；University of Virginia（弗吉尼亚大学）
Learning transferable representation of knowledge graphs (KGs) is challenging due to the heterogeneous, multi-relational nature of graph structures. Inspired by Transformer-based pretrained language models' success on learning transferable representation for texts, we introduce a novel inductive KG representation model (iHT) for KG completion by large-scale pre-training. iHT consists of a entity encoder (e.g., BERT) and a neighbor-aware relational scoring function both parameterized by Transformers. We first pre-train iHT on a large KG dataset, Wikidata5M. Our approach achieves new state-of-th…
Is Fixing Schema Graphs Necessary? Full-Resolution Graph Structure Learning for Relational Deep Learning
SKLCCSE, School of Computer Science and Engineering, Beihang University, Beijing, China（信息与电子学院，北京航空航天大学，北京，中国）；Key Lab of Education Blockchain and Intelligent Technology, Ministry of Education, Guangxi Normal University, Guilin, China（教育区块链与智能技术重点实验室，教育部，广西师范大学，桂林，中国）
Inferring missing facts in temporal knowledge graphs (TKGs) is a fundamental and challenging task. Previous works have approached this problem by augmenting methods for static knowledge graphs to leverage time-dependent representations. However, these methods do not explicitly leverage multi-hop structural information and temporal facts from recent time steps to enhance their predictions. Additionally, prior work does not explicitly address the temporal sparsity and variability of entity distributions in TKGs. We propose the Temporal Message Passing (TeMP) framework to address these challenges…
In this paper we generalize single-relation pseudo-Riemannian graph embedding models to multi-relational networks, and show that the typical approach of encoding relations as manifold transformations translates from the Riemannian to the pseudo-Riemannian case. In addition we construct a view of relations as separate spacetime submanifolds of multi-time manifolds, and consider an interpolation between a pseudo-Riemannian embedding model and its Wick-rotated Riemannian counterpart. We validate these extensions in the task of link prediction, focusing on flat Lorentzian manifolds, and demonstrat…
Graph Neural Networks (GNNs) are the subject of intense focus by the machine learning community for problems involving relational reasoning. GNNs can be broadly divided into spatial and spectral approaches. Spatial approaches use a form of learned message-passing, in which interactions among vertices are computed locally, and information propagates over longer distances on the graph with greater numbers of message-passing steps. Spectral approaches use eigendecompositions of the graph Laplacian to produce a generalization of spatial convolutions to graph structured data which access informatio…
Many real-world domains can be expressed as graphs and, more generally, as multi-relational knowledge graphs. Though reasoning and learning with knowledge graphs has traditionally been addressed by symbolic approaches, recent methods in (deep) representation learning has shown promising results for specialized tasks such as knowledge base completion. These approaches abandon the traditional symbolic paradigm by replacing symbols with vectors in Euclidean space. With few exceptions, symbolic and distributional approaches are explored in different communities and little is known about their resp…
The polypharmacy side effect prediction problem considers cases in which two drugs taken individually do not result in a particular side effect; however, when the two drugs are taken in combination, the side effect manifests. In this work, we demonstrate that multi-relational knowledge graph completion achieves state-of-the-art results on the polypharmacy side effect prediction problem. Empirical results show that our approach is particularly effective when the protein targets of the drugs are well-characterized. In contrast to prior work, our approach provides more interpretable predictions a…
A Unifying Relational Perspective on Expressive Lottery Tickets
Faculty of Computer Science, University of Vienna（维也纳大学计算机科学学院）；Doctoral School Computer Science, University of Vienna（维也纳大学计算机科学博士学院）；CeMM Research Center for Molecular Medicine of the Austrian Academy of Sciences（奥地利科学院CeMM分子医学研究中心）；CISPA Helmholtz Center for Information Security（CISPA亥姆霍兹信息安全中心）；School of Electronic Engineering and Computer Science, Queen Mary University of London（伦敦大学玛丽女王学院电子工程与计算机科学学院）；Research Network Data Science, University of Vienna（维也纳大学数据科学研究网络）
HyperMono: A Monotonicity-aware Approach to Hyper-Relational Knowledge Representation
School of Computer and Information Technology（计算机与信息科技学院）；Shanxi University（山西大学）；School of Computer Science and Informatics（计算机科学与信息学院）；Cardiff University（卡地夫大学）；ILCC, School of Informatics（信息学院）；University of Edinburgh（爱丁堡大学）
University of British Columbia（不列颠哥伦比亚大学）；Element AI
Embedding-based methods for reasoning in knowledge hypergraphs learn a representation for each entity and relation. Current methods do not capture the procedural rules underlying the relations in the graph. We propose a simple embedding-based model called ReAlE that performs link prediction in knowledge hypergraphs (generalized knowledge graphs) and can represent high-level abstractions in terms of relational algebra operations. We show theoretically that ReAlE is fully expressive and provide proofs and empirical evidence that it can represent a large subset of the primitive relational algebra…
In this paper, we address the problem of learning low dimension representation of entities on relational databases consisting of multiple tables. Embeddings help to capture semantics encoded in the database and can be used in a variety of settings like auto-completion of tables, fully-neural query processing of relational joins queries, seamlessly handling missing values, and more. Current work is restricted to working with just single table, or using pretrained embeddings over an external corpus making them unsuitable for use in real-world databases. In this work, we look into ways of using t…
University College London（伦敦大学学院）；Institute of Health Informatics（健康信息学研究所）
Learning knowledge representation is an increasingly important technology applicable in many domain-specific machine learning problems. We discuss the effectiveness of traditional Link Prediction or Knowledge Graph Completion evaluation protocol when embedding knowledge representation for categorised multi-relational data in the clinical domain. Link prediction uses to split the data into training and evaluation subsets, leading to loss of information along training and harming the knowledge representation model accuracy. We propose a Clustering Evaluation Protocol as a replacement alternative…
University of Chinese Academy of Sciences（中国科学院大学）；University of Rochester（罗切斯特大学）；University of Science and Technology of China（中国科学技术大学）；Peng Cheng Laboratory（鹏城实验室）
Graph neural architecture search has sparked much attention as Graph Neural Networks (GNNs) have shown powerful reasoning capability in many relational tasks. However, the currently used graph search space overemphasizes learning node features and neglects mining hierarchical relational information. Moreover, due to diverse mechanisms in the message passing, the graph search space is much larger than that of CNNs. This hinders the straightforward application of classical search strategies for exploring complicated graph search space. We propose Automatic Relation-aware Graph Network Proliferat…
University of Amsterdam（阿姆斯特丹大学）；VU Amsterdam（阿姆斯特丹自由大学）；CIFAR（加拿大高等研究院）
Knowledge graphs enable a wide variety of applications, including question answering and information retrieval. Despite the great effort invested in their creation and maintenance, even the largest (e.g., Yago, DBPedia or Wikidata) remain incomplete. We introduce Relational Graph Convolutional Networks (R-GCNs) and apply them to two standard knowledge base completion tasks: Link prediction (recovery of missing facts, i.e. subject-predicate-object triples) and entity classification (recovery of missing entity attributes). R-GCNs are related to a recent class of neural networks operating on grap…
Beijing University of Posts and Telecommunications（北京邮电大学）；Meituan（美团）
It is well established that graph neural networks (GNNs) can be interpreted and designed from the perspective of optimization objective. With this clear optimization objective, the deduced GNNs architecture has sound theoretical foundation, which is able to flexibly remedy the weakness of GNNs. However, this optimization objective is only proved for GNNs with single-relational graph. Can we infer a new type of GNNs for multi-relational graphs by extending this optimization objective, so as to simultaneously solve the issues in previous multi-relational GNNs, e.g., over-parameterization? In thi…
Michigan State University（密歇根州立大学）；New Jersey Institute of Technology（新泽西理工学院）
Knowledge graphs (KGs) have gained prominence for their ability to learn representations for uni-relational facts. Recently, research has focused on modeling hyper-relational facts, which move beyond the restriction of uni-relational facts and allow us to represent more complex and real-world information. However, existing approaches for learning representations on hyper-relational KGs majorly focus on enhancing the communication from qualifiers to base triples while overlooking the flow of information from base triple to qualifiers. This can lead to suboptimal qualifier representations, espec…
School of Artificial Intelligence and Data Science, University of Science and Technology of China（中国科学技术大学人工智能与数据科学学院）；School of Biomedical Engineering, USTC（中国科学技术大学生物医学工程学院）；Data Darkness Lab, Suzhou Institute for Advanced Research, USTC（中国科学技术大学苏州市先进研究机构数据暗室）；Chinese Academy of Sciences（中国科学院）
University of Amsterdam（阿姆斯特丹大学）；Canadian Institute for Advanced Research（加拿大高等研究院）
We consider matrix completion for recommender systems from the point of view of link prediction on graphs. Interaction data such as movie ratings can be represented by a bipartite user-item graph with labeled edges denoting observed ratings. Building on recent progress in deep learning on graph-structured data, we propose a graph auto-encoder framework based on differentiable message passing on the bipartite interaction graph. Our model shows competitive performance on standard collaborative filtering benchmarks. In settings where complimentary feature information or structured data such as a …
Multi-relational graph is a ubiquitous and important data structure, allowing flexible representation of multiple types of interactions and relations between entities. Similar to other graph-structured data, link prediction is one of the most important tasks on multi-relational graphs and is often used for knowledge completion. When related graphs coexist, it is of great benefit to build a larger graph via integrating the smaller ones. The integration requires predicting hidden relational connections between entities belonged to different graphs (inter-domain link prediction). However, this po…
We study the problem of knowledge graph (KG) embedding. A widely-established assumption to this problem is that similar entities are likely to have similar relational roles. However, existing related methods derive KG embeddings mainly based on triple-level learning, which lack the capability of capturing long-term relational dependencies of entities. Moreover, triple-level learning is insufficient for the propagation of semantic information among entities, especially for the case of cross-KG embedding. In this paper, we propose recurrent skipping networks (RSNs), which employ a skipping mecha…
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…
We address the problem of learning a distributed representation of entities in a relational database using a low-dimensional embedding. Low-dimensional embeddings aim to encapsulate a concise vector representation for an underlying dataset with minimum loss of information. Embeddings across entities in a relational database have been less explored due to the intricate data relations and representation complexity involved. Relational databases are an inter-weaved collection of relations that not only model relationships between entities but also record complex domain-specific quantitative and t…
Federal University of Rio Grande do Sul（南里奥格兰德联邦大学）；University of Siena（锡耶纳大学）
Recently, the deep learning community has given growing attention to neural architectures engineered to learn problems in relational domains. Convolutional Neural Networks employ parameter sharing over the image domain, tying the weights of neural connections on a grid topology and thus enforcing the learning of a number of convolutional kernels. By instantiating trainable neural modules and assembling them in varied configurations (apart from grids), one can enforce parameter sharing over graphs, yielding models which can effectively be fed with relational data. In this context, vertices in a…
Dynamic demand prediction is crucial for the efficient operation and management of urban transportation systems. Extensive research has been conducted on single-mode demand prediction, ignoring the fact that the demands for different transportation modes can be correlated with each other. Despite some recent efforts, existing approaches to multimodal demand prediction are generally not flexible enough to account for multiplex networks with diverse spatial units and heterogeneous spatiotemporal correlations across different modes. To tackle these issues, this study proposes a multi-relational s…
Mila - Québec AI Institute（米拉-魁北克人工智能研究所）；Meta AI (FAIR)（Meta人工智能（基础人工智能研究团队））；Shanghai Jiao Tong University（上海交通大学）；Université de Montréal（蒙特利尔大学）；HEC Montréal（蒙特利尔高等商学院）
Modeling spatial relationship in the data remains critical across many different tasks, such as image classification, semantic segmentation and protein structure understanding. Previous works often use a unified solution like relative positional encoding. However, there exists different kinds of spatial relations, including short-range, medium-range and long-range relations, and modeling them separately can better capture the focus of different tasks on the multi-range relations (e.g., short-range relations can be important in instance segmentation, while long-range relations should be upweigh…
Sun Yat-sen University（中山大学）；Galixir Technologies Ltd（Galixir科技有限公司）
Illuminating the interconnections between drugs and genes is an important topic in drug development and precision medicine. Currently, computational predictions of drug-gene interactions mainly focus on the binding interactions without considering other relation types like agonist, antagonist, etc. In addition, existing methods either heavily rely on high-quality domain features or are intrinsically transductive, which limits the capacity of models to generalize to drugs/genes that lack external information or are unseen during the training process. To address these problems, we propose a nove…
University of Liverpool（利物浦大学）；Japan Advanced Institute of Science and Technology（日本先端科学技术大学院大学）
Representing the semantic relations that exist between two given words (or entities) is an important first step in a wide-range of NLP applications such as analogical reasoning, knowledge base completion and relational information retrieval. A simple, yet surprisingly accurate method for representing a relation between two words is to compute the vector offset (\PairDiff) between their corresponding word embeddings. Despite the empirical success, it remains unclear as to whether \PairDiff is the best operator for obtaining a relational representation from word embeddings. We conduct a theoreti…
We propose Dynamically Pruned Message Passing Networks (DPMPN) for large-scale knowledge graph reasoning. In contrast to existing models, embedding-based or path-based, we learn an input-dependent subgraph to explicitly model reasoning process. Subgraphs are dynamically constructed and expanded by applying graphical attention mechanism conditioned on input queries. In this way, we not only construct graph-structured explanations but also enable message passing designed in Graph Neural Networks (GNNs) to scale with graph sizes. We take the inspiration from the consciousness prior proposed by an…
