Graph neural networks (GNNs) are a popular class of parametric model for learning over graph-structured data. Recent work has argued that GNNs primarily use the graph for feature smoothing, and have shown competitive results on benchmark tasks by simply operating on graph-smoothed node features, rather than using end-to-end learned feature hierarchies that are challenging to scale to large graphs. In this work, we ask whether these results can be extended to heterogeneous graphs, which encode multiple types of relationship between different entities. We propose Neighbor Averaging over Relation Subgraphs (NARS), which trains a classifier on neighbor-averaged features for randomly-sampled subgraphs of the "metagraph" of relations. We describe optimizations to allow these sets of node features to be computed in a memory-efficient way, both at training and inference time. NARS achieves a new state of the art accuracy on several benchmark datasets, outperforming more expensive GNN-based methods
We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs individually while neglecting their connections, such as motif-level relationships. We propose a novel molecular graph representation learning method by constructing a heterogeneous motif graph to address this issue. In particular, we build a heterogeneous motif graph that contains motif nodes and molecular nodes. Each motif node corresponds to a motif extracted from…
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.
Simple and Efficient Heterogeneous Graph Neural Network
Institute for Computing Technology, Chinese Academy of Sciences（中国科学院计算技术研究所）；Griffith University（格里菲斯大学）；University of Chinese Academy of Sciences（中国科学院大学）
University of Illinois at Chicago（伊利诺伊大学芝加哥分校）；Beihang University（北京航空航天大学）；Lehigh University（理海大学）
Mining Electronic Health Records (EHRs) becomes a promising topic because of the rich information they contain. By learning from EHRs, machine learning models can be built to help human experts to make medical decisions and thus improve healthcare quality. Recently, many models based on sequential or graph models are proposed to achieve this goal. EHRs contain multiple entities and relations and can be viewed as a heterogeneous graph. However, previous studies ignore the heterogeneity in EHRs. On the other hand, current heterogeneous graph neural networks cannot be simply used on an EHR graph …
Institute of Computing Technology, Chinese Academy of Sciences（中国科学院计算技术研究所）；University of Chinese Academy of Sciences（中国科学院大学）；Zhejiang University（浙江大学）
Researchers have recently proposed plenty of heterogeneous graph neural networks (HGNNs) due to the ubiquity of heterogeneous graphs in both academic and industrial areas. Instead of pursuing a more powerful HGNN model, in this paper, we are interested in devising a versatile plug-and-play module, which accounts for distilling relational knowledge from pre-trained HGNNs. To the best of our knowledge, we are the first to propose a HIgh-order RElational (HIRE) knowledge distillation framework on heterogeneous graphs, which can significantly boost the prediction performance regardless of model ar…
HAGNN: Hybrid Aggregation for Heterogeneous Graph Neural Networks
State Key Laboratory for Novel Software Technology, Nanjing University（南京大学现代软件技术国家重点实验室）；Research Center for Graph Computing, Zhejiang Lab（浙江实验室图计算研究中心）
Scalable Multi-Task Learning for Particle Collision Event Reconstruction with Heterogeneous Graph Neural Networks
Laboratory for Nuclear Science. Massachusetts Institute of Technology (MIT)（麻省理工学院核科学实验室）；Experimental Physics Department, European Organization for Nuclear Research (CERN)（欧洲核子研究中心（CERN）实验物理部门）
Heterogeneous graph neural networks (HGNNs) have been widely applied in heterogeneous information network tasks, while most HGNNs suffer from poor scalability or weak representation when they are applied to large-scale heterogeneous graphs. To address these problems, we propose a novel Relation-aware Heterogeneous Graph Neural Network with Contrastive Learning (RHCO) for large-scale heterogeneous graph representation learning. Unlike traditional heterogeneous graph neural networks, we adopt the contrastive learning mechanism to deal with the complex heterogeneity of large-scale heterogeneous g…
Scalable Heterogeneous Graph Foundation Models for Data-Driven Optimal Power Flow in Smart Grids
Computational Sciences and Engineering Division, Oak Ridge National Laboratory（橡树岭国家实验室计算科学与工程部）；Mathematics and Computer Science Division, Argonne National Laboratory（阿贡国家实验室数学与计算机科学部）；UT-Battelle, LLC（UT-巴特勒公司）
This work proposes a neural network architecture that learns policies for multiple agent classes in a heterogeneous multi-agent reinforcement setting. The proposed network uses directed labeled graph representations for states, encodes feature vectors of different sizes for different entity classes, uses relational graph convolution layers to model different communication channels between entity types and learns distinct policies for different agent classes, sharing parameters wherever possible. Results have shown that specializing the communication channels between entity classes is a promisi…
Institute of Computing Technology, CAS（中国科学院计算技术研究所）；University of Chinese Academy of Sciences（中国科学院大学）；Huazhong University of Science and Technology（华中科技大学）；Singapore Management University（新加坡管理大学）
Graph neural networks for heterogeneous graph embedding is to project nodes into a low-dimensional space by exploring the heterogeneity and semantics of the heterogeneous graph. However, on the one hand, most of existing heterogeneous graph embedding methods either insufficiently model the local structure under specific semantic, or neglect the heterogeneity when aggregating information from it. On the other hand, representations from multiple semantics are not comprehensively integrated to obtain versatile node embeddings. To address the problem, we propose a Heterogeneous Graph Neural Networ…
Sun Yat-sen University（中山大学）；Microsoft Research Asia（微软亚洲研究院）
Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various downstream applications. Many meta-path based embedding methods have been proposed to learn the semantic information of heterogeneous graphs in recent years. However, most of the existing techniques overlook the graph structure information when learning the heterogeneous graph embeddings. This paper proposes a novel Structure-Aware Heterogeneous Graph Neural Network …
Beijing University of Posts and Telecommunications（北京邮电大学）；Peng Cheng Laboratory（鹏城实验室）；AWS Shanghai AI Lab（亚马逊云科技上海人工智能实验室）；Paradigm Inc.（第四范式）
Heterogeneous Graph Neural Network (HGNN) has been successfully employed in various tasks, but we cannot accurately know the importance of different design dimensions of HGNNs due to diverse architectures and applied scenarios. Besides, in the research community of HGNNs, implementing and evaluating various tasks still need much human effort. To mitigate these issues, we first propose a unified framework covering most HGNNs, consisting of three components: heterogeneous linear transformation, heterogeneous graph transformation, and heterogeneous message passing layer. Then we build a platform …
Guangxi Normal University（广西师范大学）；Beihang University（北京航空航天大学）；Macquarie University（麦考瑞大学）
Social networks are considered to be heterogeneous graph neural networks (HGNNs) with deep learning technological advances. HGNNs, compared to homogeneous data, absorb various aspects of information about individuals in the training stage. That means more information has been covered in the learning result, especially sensitive information. However, the privacy-preserving methods on homogeneous graphs only preserve the same type of node attributes or relationships, which cannot effectively work on heterogeneous graphs due to the complexity. To address this issue, we propose a novel heterogeneo…
A large number of real-world graphs or networks are inherently heterogeneous, involving a diversity of node types and relation types. Heterogeneous graph embedding is to embed rich structural and semantic information of a heterogeneous graph into low-dimensional node representations. Existing models usually define multiple metapaths in a heterogeneous graph to capture the composite relations and guide neighbor selection. However, these models either omit node content features, discard intermediate nodes along the metapath, or only consider one metapath. To address these three limitations, we p…
Seoul National University（首尔国立大学）；University of Michigan（密歇根大学）；Amazon Web Services（亚马逊云科技）
Heterogeneous graph neural networks (GNNs) achieve strong performance on node classification tasks in a semi-supervised learning setting. However, as in the simpler homogeneous GNN case, message-passing-based heterogeneous GNNs may struggle to balance between resisting the oversmoothing that may occur in deep models, and capturing long-range dependencies of graph structured data. Moreover, the complexity of this trade-off is compounded in the heterogeneous graph case due to the disparate heterophily relationships between nodes of different types. To address these issues, we propose a novel het…
Ant Financial Services Group（蚂蚁金融服务集团）；Georgia Institute of Technology（佐治亚理工学院）
We present, GEM, the first heterogeneous graph neural network approach for detecting malicious accounts at Alipay, one of the world's leading mobile cashless payment platform. Our approach, inspired from a connected subgraph approach, adaptively learns discriminative embeddings from heterogeneous account-device graphs based on two fundamental weaknesses of attackers, i.e. device aggregation and activity aggregation. For the heterogeneous graph consists of various types of nodes, we propose an attention mechanism to learn the importance of different types of nodes, while using the sum operator …
Graph neural networks (GNN) extends deep learning to graph-structure dataset. Similar to Convolutional Neural Networks (CNN) using on image prediction, convolutional and pooling layers are the foundation to success for GNN on graph prediction tasks. In the initial PAN paper, it uses a path integral based graph neural networks for graph prediction. Specifically, it uses a convolution operation that involves every path linking the message sender and receiver with learnable weights depending on the path length, which corresponds to the maximal entropy random walk. It further generalizes such conv…
Zhejiang University（浙江大学）；IBM T. J. Watson Research Center（IBM托马斯·J·沃森研究中心）；JD.COM Silicon Valley Research Center（京东硅谷研发中心）；Squirrel AI Learning（松鼠AI智适应教育）
Crowdsourcing has attracted much attention for its convenience to collect labels from non-expert workers instead of experts. However, due to the high level of noise from the non-experts, an aggregation model that learns the true label by incorporating the source credibility is required. In this paper, we propose a novel framework based on graph neural networks for aggregating crowd labels. We construct a heterogeneous graph between workers and tasks and derive a new graph neural network to learn the representations of nodes and the true labels. Besides, we exploit the unknown latent interactio…
Target-Based Sentiment Analysis aims to detect the opinion aspects (aspect extraction) and the sentiment polarities (sentiment detection) towards them. Both the previous pipeline and integrated methods fail to precisely model the innate connection between these two objectives. In this paper, we propose a novel dynamic heterogeneous graph to jointly model the two objectives in an explicit way. Both the ordinary words and sentiment labels are treated as nodes in the heterogeneous graph, so that the aspect words can interact with the sentiment information. The graph is initialized with multiple t…
Tsinghua University（清华大学）；Chinese Academy of Sciences（中国科学院）；Alibaba Group（阿里巴巴集团）；University of Pennsylvania（宾夕法尼亚大学）；Microsoft（微软）
Heterogeneous graph neural networks (HGNNs) have been blossoming in recent years, but the unique data processing and evaluation setups used by each work obstruct a full understanding of their advancements. In this work, we present a systematical reproduction of 12 recent HGNNs by using their official codes, datasets, settings, and hyperparameters, revealing surprising findings about the progress of HGNNs. We find that the simple homogeneous GNNs, e.g., GCN and GAT, are largely underestimated due to improper settings. GAT with proper inputs can generally match or outperform all existing HGNNs a…
It is hard to directly implement Graph Neural Networks (GNNs) on large scaled graphs. Besides of existed neighbor sampling techniques, scalable methods decoupling graph convolutions and other learnable transformations into preprocessing and post classifier allow normal minibatch training. By replacing redundant concatenation operation with attention mechanism in SIGN, we propose Scalable and Adaptive Graph Neural Networks (SAGN). SAGN can adaptively gather neighborhood information among different hops. To further improve scalable models on semi-supervised learning tasks, we propose Self-Label-…
In this paper, we focus on graph representation learning of heterogeneous information network (HIN), in which various types of vertices are connected by various types of relations. Most of the existing methods conducted on HIN revise homogeneous graph embedding models via meta-paths to learn low-dimensional vector space of HIN. In this paper, we propose a novel Heterogeneous Graph Structural Attention Neural Network (HetSANN) to directly encode structural information of HIN without meta-path and achieve more informative representations. With this method, domain experts will not be needed to de…
Chemistry research has both high material and computational costs to conduct experiments. Institutions thus consider chemical data to be valuable and there have been few efforts to construct large public datasets for machine learning. Another challenge is that different intuitions are interested in different classes of molecules, creating heterogeneous data that cannot be easily joined by conventional distributed training. In this work, we introduce federated heterogeneous molecular learning to address these challenges. Federated learning allows end-users to build a global model collaborativel…
School of Computer Science and Technology, Anhui University（安徽大学计算机科学与技术学院）；Key Laboratory of Knowledge Engineering with Big Data (the Ministry of Education of China), Hefei University of Technology（大数据知识工程重点实验室（教育部））
The prosperous development of e-commerce has spawned diverse recommendation systems. As a matter of fact, there exist rich and complex interactions among various types of nodes in real-world recommendation systems, which can be constructed as heterogeneous graphs. How learn representative node embedding is the basis and core of the personalized recommendation system. Meta-path is a widely used structure to capture the semantics beneath such interactions and show potential ability in improving node embedding. In this paper, we propose Heterogeneous Graph neural network for Recommendation (HGRec…
Massive account registration has raised concerns on risk management in e-commerce companies, especially when registration increases rapidly within a short time frame. To monitor these registrations constantly and minimize the potential loss they might incur, detecting massive registration and predicting their riskiness are necessary. In this paper, we propose a Dynamic Heterogeneous Graph Neural Network framework to capture suspicious massive registrations (DHGReg). We first construct a dynamic heterogeneous graph from the registration data, which is composed of a structural subgraph and a tem…
University of Electronic Science and Technology of China（电子科技大学）；Iowa State University（爱荷华州立大学）；University of Maryland（马里兰大学）
Quantifying and predicting the long-term impact of scientific writings or individual scholars has important implications for many policy decisions, such as funding proposal evaluation and identifying emerging research fields. In this work, we propose an approach based on Heterogeneous Dynamical Graph Neural Network (HDGNN) to explicitly model and predict the cumulative impact of papers and authors. HDGNN extends heterogeneous GNNs by incorporating temporally evolving characteristics and capturing both structural properties of attributed graph and the growing sequence of citation behavior. HDGN…
Computer Science & Engineering University of Minnesota（明尼苏达大学计算机科学与工程学院）
As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular graphs in which atoms are modeled as nodes. They characterize each atom's chemical environment by modeling its pairwise interactions with other atoms in the molecule. Although these methods achieve a great success, limited amount of works explicitly take many-body interactions, i.e., interactions between three and more atoms, into consideration. In this pap…
University of Illinois at Chicago（伊利诺伊大学芝加哥分校）；NEC Laboratories America（NEC美国实验室）
Program or process is an integral part of almost every IT/OT system. Can we trust the identity/ID (e.g., executable name) of the program? To avoid detection, malware may disguise itself using the ID of a legitimate program, and a system tool (e.g., PowerShell) used by the attackers may have the fake ID of another common software, which is less sensitive. However, existing intrusion detection techniques often overlook this critical program reidentification problem (i.e., checking the program's identity). In this paper, we propose an attentional heterogeneous graph neural network model (DeepHGNN…
Mercedes-Benz R&D North America（梅赛德斯-奔驰北美研发中心）；Mercedes-Benz AG（梅赛德斯-奔驰股份公司）；Ulm University（乌尔姆大学）；University of Stuttgart（斯图加特大学）
Understanding traffic scenes requires considering heterogeneous information about dynamic agents and the static infrastructure. In this work we propose SCENE, a methodology to encode diverse traffic scenes in heterogeneous graphs and to reason about these graphs using a heterogeneous Graph Neural Network encoder and task-specific decoders. The heterogeneous graphs, whose structures are defined by an ontology, consist of different nodes with type-specific node features and different relations with type-specific edge features. In order to exploit all the information given by these graphs, we pro…
Scalable Heterogeneous Graph Learning via Heterogeneous-aware Orthogonal Prototype Experts
National Engineering Research Center for Big Data Technology；System Lab, Cluster；Grid Computing Lab, School of Computer Science；Technology, Huazhong University of Science；DIRO, Université de Montréal \& Mila \& Canada CIFAR AI Chair, Canada
University of Michigan（密歇根大学）；Duke University（杜克大学）
Analysis of heterogeneous patterns in complex spatio-temporal data finds usage across various domains in applied science and engineering, including training autonomous vehicles to navigate in complex traffic scenarios. Motivated by applications arising in the transportation domain, in this paper we develop a model for learning heterogeneous and dynamic patterns of velocity field data. We draw from basic nonparameric Bayesian modeling elements such as hierarchical Dirichlet process and infinite hidden Markov model, while the smoothness of each homogeneous velocity field element is captured with…
We find a heterogeneity in both complex and real valued neural networks with the insight from wave optics, claiming a much more important role of phase than its amplitude counterpart in the weight matrix. In complex-valued neural networks, we show that among different types of pruning, the weight matrix with only phase information preserved achieves the best accuracy, which holds robustly under various settings of depth and width. The conclusion can be generalized to real-valued neural networks, where signs take the place of phases. These inspiring findings enrich the techniques of network pru…
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…
Episodic Multi-Task Learning with Heterogeneous Neural Processes
University of Amsterdam（阿姆斯特丹大学）；United Imaging Healthcare, Co., Ltd.（联影医疗科技股份有限公司）；Inception Institute of Artificial Intelligence（起源人工智能研究院）；Kaiyuan Mathematical Sciences Institute（开元数学科学研究院）
Artificial Intelligence in Medical Imaging (AI-Med), Department of Child and Adolescent Psychiatry, Ludwig-Maximilians-Universität, Munich, Germany（慕尼黑路德维希-马克西米利安大学儿童与青少年精神病学系医学成像人工智能（AI-Med））
Deep Neural Networks (DNNs) have an enormous potential to learn from complex biomedical data. In particular, DNNs have been used to seamlessly fuse heterogeneous information from neuroanatomy, genetics, biomarkers, and neuropsychological tests for highly accurate Alzheimer's disease diagnosis. On the other hand, their black-box nature is still a barrier for the adoption of such a system in the clinic, where interpretability is absolutely essential. We propose Shapley Value Explanation of Heterogeneous Neural Networks (SVEHNN) for explaining the Alzheimer's diagnosis made by a DNN from the 3D p…
TACROSS: An Efficient and Low-Cost Scalable Human Touch System Across Heterogeneous Tactile Sensors for Dexterous Robot Learning
The University of Hong Kong（香港大学）；INFIFORCE；The Chinese University of Hong Kong (Shenzhen)（香港中文大学（深圳））；Wuhan Textile University（武汉纺织大学）；Ocean University of China（中国海洋大学）；Wuhan University（武汉大学）
Parameter quantization in convolutional neural networks (CNNs) can help generate efficient models with lower memory footprint and computational complexity. But, homogeneous quantization can result in significant degradation of CNN model accuracy. In contrast, heterogeneous quantization represents a promising approach to realize compact, quantized models with higher inference accuracies. In this paper, we propose HQNNA, a CNN accelerator based on non-coherent silicon photonics that can accelerate both homogeneously quantized and heterogeneously quantized CNN models. Our analyses show that HQNNA…
Korea Advanced Institute of Science and Technology（韩国科学技术院）
Heterogeneous graph neural networks can represent information of heterogeneous graphs with excellent ability. Recently, self-supervised learning manner is researched which learns the unique expression of a graph through a contrastive learning method. In the absence of labels, this learning methods show great potential. However, contrastive learning relies heavily on positive and negative pairs, and generating high-quality pairs from heterogeneous graphs is difficult. In this paper, in line with recent innovations in self-supervised learning called BYOL or bootstrapping, we introduce a that can…
Aalto University（阿尔托大学）；University of Manchester（曼彻斯特大学）
We introduce implicit Bayesian neural networks, a simple and scalable approach for uncertainty representation in deep learning. Standard Bayesian approach to deep learning requires the impractical inference of the posterior distribution over millions of parameters. Instead, we propose to induce a distribution that captures the uncertainty over neural networks by augmenting each layer's inputs with latent variables. We present appropriate input distributions and demonstrate state-of-the-art performance in terms of calibration, robustness and uncertainty characterisation over large-scale, multi-…
