Graph Neural Networks (GNNs) have shown promising results in various tasks, among which link prediction is an important one. GNN models usually follow a node-centric message passing procedure that aggregates the neighborhood information to the central node recursively. Following this paradigm, features of nodes are passed through edges without caring about where the nodes are located and which role they played. However, the neglected topological information is shown to be valuable for link prediction tasks. In this paper, we propose Structure Enhanced Graph neural network (SEG) for link prediction. SEG introduces the path labeling method to capture surrounding topological information of target nodes and then incorporates the structure into an ordinary GNN model. By jointly training the structure encoder and deep GNN model, SEG fuses topological structures and node features to take full advantage of graph information. Experiments on the OGB link prediction datasets demonstrate that SEG achieves state-of-the-art results among all three public datasets.
In this paper, we benchmark several existing graph neural network (GNN) models on different datasets for link predictions. In particular, the graph convolutional network (GCN), GraphSAGE, graph attention network (GAT) as well as variational graph auto-encoder (VGAE) are implemented dedicated to link prediction tasks, in-depth analysis are performed, and results from several different papers are replicated, also a more fair and systematic comparison are provided. Our experiments show these GNN architectures perform similarly on various benchmarks for link prediction tasks.
Peking University（北京大学）；Purdue University（普渡大学）；Beijing Institute for General Artificial Intelligence（北京通用人工智能研究院）
Link prediction is one important application of graph neural networks (GNNs). Most existing GNNs for link prediction are based on one-dimensional Weisfeiler-Lehman (1-WL) test. 1-WL-GNNs first compute node representations by iteratively passing neighboring node features to the center, and then obtain link representations by aggregating the pairwise node representations. As pointed out by previous works, this two-step procedure results in low discriminating power, as 1-WL-GNNs by nature learn node-level representations instead of link-level. In this paper, we study a completely different approa…
Mila - Québec AI Institute（米拉-魁北克人工智能研究所）；Université de Montréal（蒙特利尔大学）；HEC Montréal（蒙特利尔高等商学院）
Link prediction is a very fundamental task on graphs. Inspired by traditional path-based methods, in this paper we propose a general and flexible representation learning framework based on paths for link prediction. Specifically, we define the representation of a pair of nodes as the generalized sum of all path representations, with each path representation as the generalized product of the edge representations in the path. Motivated by the Bellman-Ford algorithm for solving the shortest path problem, we show that the proposed path formulation can be efficiently solved by the generalized Bellm…
High-order Graph Neural Networks with Common Neighbor Awareness for Link Prediction
School of Computer Science and Technology, Chongqing University of Posts and Telecommunications（重庆邮电大学计算机科学与技术学院）；Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences（中国科学院重庆绿色智能技术研究院）；College of Computer and Information Science, Southwest University（西南大学计算机与信息科学学院）
UiT the Arctic University of Norway（挪威北极大学）；Sapienza University of Rome（罗马第一大学）；NORCE Norwegian Research Centre（挪威NORCE研究中心）
Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The new paradigm suggests using subgraphs extracted from the input graph to improve the model's expressiveness, but the additional complexity exacerbates an already challenging problem in GNNs: explaining their predictions. In this work, we adapt PGExplainer, one of the most recent explainers for GNNs, to SGNNs. The proposed explainer accounts for the contribut…
Key Labroatory of Symbolic Computation and Knowledge Engineering of Ministry of Education（符号计算与知识工程教育部重点实验室）；Jilin University（吉林大学）；Knowledge Engineering of Ministry of Education（知识工程教育部）；Changchun, 130012, China（长春，130012，中国）
Multi-Relational Knowledge Graph Enhanced Embedding for Trajectory-User Linking
the College of Information, Mechanical and Electrical Engineering, Shanghai Normal University（上海师范大学信息与机电工程学院）；Shanghai Urban-Rural Construction & Transportation Development Institute（上海城乡建设与交通发展研究院）；Zhongke Zidong Information Technology（中科紫东信息技术（北京）有限公司）
Link prediction is a fundamental problem in graph data analysis. While most of the literature focuses on transductive link prediction that requires all the graph nodes and majority of links in training, inductive link prediction, which only uses a proportion of the nodes and their links in training, is a more challenging problem in various real-world applications. In this paper, we propose a meta-learning approach with graph neural networks for link prediction: Neural Processes for Graph Neural Networks (NPGNN), which can perform both transductive and inductive learning tasks and adapt to patt…
Link prediction on dynamic graphs is an important task in graph mining. Existing approaches based on dynamic graph neural networks (DGNNs) typically require a significant amount of historical data (interactions over time), which is not always available in practice. The missing links over time, which is a common phenomenon in graph data, further aggravates the issue and thus creates extremely sparse and dynamic graphs. To address this problem, we propose a novel method based on the neural process, called Graph Sequential Neural ODE Process (GSNOP). Specifically, GSNOP combines the advantage of …
In this paper, we propose a Path-aware Siamese Graph neural network(PSG) for link prediction tasks. First, PSG captures both nodes and edge features for given two nodes, namely the structure information of k-neighborhoods and relay paths information of the nodes. Furthermore, a novel multi-task GNN framework with self-supervised contrastive learning is proposed for differentiation of positive links and negative links while content and behavior of nodes can be captured simultaneously. We evaluate the proposed algorithm PSG on two link property prediction datasets, ogbl-ddi and ogbl-collab. PSG …
Kansas State University（堪萨斯州立大学）；Columbia University（哥伦比亚大学）
Identifying critical nodes and links in graphs is a crucial task. These nodes/links typically represent critical elements/communication links that play a key role in a system's performance. However, a majority of the methods available in the literature on the identification of critical nodes/links are based on an iterative approach that explores each node/link of a graph at a time, repeating for all nodes/links in the graph. Such methods suffer from high computational complexity and the resulting analysis is also network-specific. To overcome these challenges, this article proposes a scalable …
Expressivity plays a fundamental role in evaluating deep neural networks, and it is closely related to understanding the limit of performance improvement. In this paper, we propose a three-pipeline training framework based on critical expressivity, including global model contraction, weight evolution, and link's weight rewiring. Specifically, we propose a pyramidal-like skeleton to overcome the saddle points that affect information transfer. Then we analyze the reason for the modularity (clustering) phenomenon in network topology and use it to rewire potential erroneous weighted links. We cond…
Graph Neural Networks (GNNs) have been widely applied to various fields for learning over graph-structured data. They have shown significant improvements over traditional heuristic methods in various tasks such as node classification and graph classification. However, since GNNs heavily rely on smoothed node features rather than graph structure, they often show poor performance than simple heuristic methods in link prediction where the structural information, e.g., overlapped neighborhoods, degrees, and shortest paths, is crucial. To address this limitation, we propose Neighborhood Overlap-awa…
The increasing popularity and diversity of social media sites has encouraged more and more people to participate in multiple online social networks to enjoy their services. Each user may create a user identity to represent his or her unique public figure in every social network. User identity linkage across online social networks is an emerging task and has attracted increasing attention, which could potentially impact various domains such as recommendations and link predictions. The majority of existing work focuses on mining network proximity or user profile data for discovering user identit…
Nanjing Normal University（南京师范大学）；Universität Basel（巴塞尔大学）
Graph neural networks achieve high accuracy in link prediction by jointly leveraging graph topology and node attributes. Topology, however, is represented indirectly; state-of-the-art methods based on subgraph classification label nodes with distance to the target link, so that, although topological information is present, it is tempered by pooling. This makes it challenging to leverage features like loops and motifs associated with network formation mechanisms. We propose a link prediction algorithm based on a new pooling scheme called WalkPool. WalkPool combines the expressivity of topologic…
The Hong Kong University of Science and Technology（香港科技大学）
Recently, Graph Neural Networks (GNNs) have gained popularity in a variety of real-world scenarios. Despite the great success, the architecture design of GNNs heavily relies on manual labor. Thus, automated graph neural network (AutoGNN) has attracted interest and attention from the research community, which makes significant performance improvements in recent years. However, existing AutoGNN works mainly adopt an implicit way to model and leverage the link information in the graphs, which is not well regularized to the link prediction task on graphs, and limits the performance of AutoGNN for …
Risk Modeling & Research, Sberbank（Sberbank风险建模与研究部）；CDISE, Skolkovo Institute of Science and Technology (Skoltech)（斯科尔科沃科学技术研究院（Skoltech）CDISE）
Financial institutions obtain enormous amounts of data about user transactions and money transfers, which can be considered as a large graph dynamically changing in time. In this work, we focus on the task of predicting new interactions in the network of bank clients and treat it as a link prediction problem. We propose a new graph neural network model, which uses not only the topological structure of the network but rich time-series data available for the graph nodes and edges. We evaluate the developed method using the data provided by a large European bank for several years. The proposed mo…
Link prediction is a key problem for network-structured data. Link prediction heuristics use some score functions, such as common neighbors and Katz index, to measure the likelihood of links. They have obtained wide practical uses due to their simplicity, interpretability, and for some of them, scalability. However, every heuristic has a strong assumption on when two nodes are likely to link, which limits their effectiveness on networks where these assumptions fail. In this regard, a more reasonable way should be learning a suitable heuristic from a given network instead of using predefined on…
We introduce a novel embedding model, named NoGE, which aims to integrate co-occurrence among entities and relations into graph neural networks to improve knowledge graph completion (i.e., link prediction). Given a knowledge graph, NoGE constructs a single graph considering entities and relations as individual nodes. NoGE then computes weights for edges among nodes based on the co-occurrence of entities and relations. Next, NoGE proposes Dual Quaternion Graph Neural Networks (DualQGNN) and utilizes DualQGNN to update vector representations for entity and relation nodes. NoGE then adopts a scor…
Open Your Eyes: Vision Enhances Message Passing Neural Networks in Link Prediction
Southern University of Science and Technology（南方科技大学）；Hong Kong University of Science and Technology（香港科技大学）；City University of Hong Kong（香港城市大学）；Zhejiang University（浙江大学）
Simon Fraser University（西蒙弗雷泽大学）；Digitalist Group Canada（加拿大Digitalist集团）；MetaOptima（MetaOptima公司）
We propose a simple modification to standard ResNet architectures--L2 normalization over feature space--that substantially improves out-of-distribution (OoD) performance on the previously proposed Deep Deterministic Uncertainty (DDU) benchmark. We show that this change also induces early Neural Collapse (NC), an effect linked to better OoD performance. Our method achieves comparable or superior OoD detection scores and classification accuracy in a small fraction of the training time of the benchmark. Additionally, it substantially improves worst case OoD performance over multiple, randomly ini…
In this work, a novel multifidelity machine learning (ML) model, the gradient-enhanced multifidelity neural networks (GEMFNNs), is proposed. This model is a multifidelity version of gradient-enhanced neural networks (GENNs) as it uses both function and gradient information available at multiple levels of fidelity to make function approximations. Its construction is similar to multifidelity neural networks (MFNNs). This model is tested on three analytical function, a one, two, and a 20 variable function. It is also compared to neural networks (NNs), GENNs, and MFNNs, and the number of samples r…
Institute of Computational Mathematics and Scientific/Engineering Computing（科学与工程计算研究所）
We propose in this work the gradient-enhanced deep neural networks (DNNs) approach for function approximations and uncertainty quantification. More precisely, the proposed approach adopts both the function evaluations and the associated gradient information to yield enhanced approximation accuracy. In particular, the gradient information is included as a regularization term in the gradient-enhanced DNNs approach, for which we present similar posterior estimates (by the two-layer neural networks) as those in the path-norm regularized DNNs approximations. We also discuss the application of this …
In this paper, we aim at providing an effective Pairwise Learning Neural Link Prediction (PLNLP) framework. The framework treats link prediction as a pairwise learning to rank problem and consists of four main components, i.e., neighborhood encoder, link predictor, negative sampler and objective function. The framework is flexible that any generic graph neural convolution or link prediction specific neural architecture could be employed as neighborhood encoder. For link predictor, we design different scoring functions, which could be selected based on different types of graphs. In negative sam…
RheinMain University of Applied Sciences（莱茵美因应用科学大学）
Entity linking, the task of mapping textual mentions to known entities, has recently been tackled using contextualized neural networks. We address the question whether these results -- reported for large, high-quality datasets such as Wikipedia -- transfer to practical business use cases, where labels are scarce, text is low-quality, and terminology is highly domain-specific. Using an entity linking model based on BERT, a popular transformer network in natural language processing, we show that a neural approach outperforms and complements hand-coded heuristics, with improvements of about 20% t…
This paper presents a simple and computationally efficient approach for entity linking (EL), compared with recurrent neural networks (RNNs) or convolutional neural networks (CNNs), by making use of feedforward neural networks (FFNNs) and the recent dual fixed-size ordinally forgetting encoding (dual-FOFE) method to fully encode the sentence fragment and its left/right contexts into a fixed-size representation. Furthermore, in this work, we propose to incorporate PageRank based distillation in our candidate generation module. Our neural linking models consist of three parts: a PageRank based ca…
Recurrent Neural Networks (RNNs) have been proven to be effective in modeling sequential data and they have been applied to boost a variety of tasks such as document classification, speech recognition and machine translation. Most of existing RNN models have been designed for sequences assumed to be identically and independently distributed (i.i.d). However, in many real-world applications, sequences are naturally linked. For example, web documents are connected by hyperlinks; and genes interact with each other. On the one hand, linked sequences are inherently not i.i.d., which poses tremendou…
Fourier-Enhanced Recurrent Neural Networks for Electrical Load Time Series Downscaling
Department of Statistics University of Chicago Chicago, IL, USA（统计学系 芝加哥大学）；Computer Science Division Argonne National Laboratory（计算机科学 division 阿贡国家实验室）
We focus our attention on the link prediction problem for knowledge graphs, which is treated herein as a binary classification task on neural embeddings of the entities. By comparing, combining and extending different methodologies for link prediction on graph-based data coming from different domains, we formalize a unified methodology for the quality evaluation benchmark of neural embeddings for knowledge graphs. This benchmark is then used to empirically investigate the potential of training neural embeddings globally for the entire graph, as opposed to the usual way of training embeddings l…
Data Science Institute, National University of Ireland Galway（爱尔兰国立高威大学数据科学研究所）；University College London（伦敦大学学院）
Neural link predictors learn distributed representations of entities and relations in a knowledge graph. They are remarkably powerful in the link prediction and knowledge base completion tasks, mainly due to the learned representations that capture important statistical dependencies in the data. Recent works in the area have focused on either designing new scoring functions or incorporating extra information into the learning process to improve the representations. Yet the representations are mostly learned from the observed links between entities, ignoring commonsense or schema knowledge asso…
Artificial Neural Networks have emerged as an important tool for classification and have been widely used to classify a non-linear separable pattern. The most popular artificial neural networks model is a Multilayer Perceptron (MLP) as it is able to perform classification task with significant success. However due to the complexity of MLP structure and also problems such as local minima trapping, over fitting and weight interference have made neural network training difficult. Thus, the easy way to avoid these problems is to remove the hidden layers. This paper presents the ability of Function…
Deep neural networks (DNNs) have shown exceptional performances in a wide range of tasks and have become the go-to method for problems requiring high-level predictive power. There has been extensive research on how DNNs arrive at their decisions, however, the inherently uninterpretable networks remain up to this day mostly unobservable "black boxes". In recent years, the field has seen a push towards interpretable neural networks, such as the visually interpretable Neural Additive Models (NAMs). We propose a further step into the direction of intelligibility beyond the mere visualization of fe…
Rice University（莱斯大学）；Prudence Medical Technologies Ltd（审慎医疗技术有限公司）
We train an enhanced deep convolutional neural network in order to identify eight cardiac abnormalities from the standard 12-lead electrocardiograms (ECGs) using the dataset of 14000 ECGs. Instead of straightforwardly applying an end-to-end deep learning approach, we find that deep convolutional neural networks enhanced with sophisticated hand crafted features show advantages in reducing generalization errors. Additionally, data preprocessing and augmentation are essential since the distribution of eight cardiac abnormalities are highly biased in the given dataset. Our approach achieves promis…
This paper aims to propose a novel deep learning-integrated framework for deriving reliable simulation input models through incorporating multi-source information. The framework sources and extracts multisource data generated from construction operations, which provides rich information for input modeling. The framework implements Bayesian deep neural networks to facilitate the purpose of incorporating richer information in input modeling. A case study on road paving operation is performed to test the feasibility and applicability of the proposed framework. Overall, this research enhances inpu…
Rice University（莱斯大学）；Facebook AI Research（Facebook人工智能研究院）
Kernels derived from deep neural networks (DNNs) in the infinite-width regime provide not only high performance in a range of machine learning tasks but also new theoretical insights into DNN training dynamics and generalization. In this paper, we extend the family of kernels associated with recurrent neural networks (RNNs), which were previously derived only for simple RNNs, to more complex architectures including bidirectional RNNs and RNNs with average pooling. We also develop a fast GPU implementation to exploit the full practical potential of the kernels. Though RNNs are typically only ap…
Cyber Physical Awareness via Intent-Driven Threat Assessment: Enhanced Space Networks with Intershell Links
Department of Electronics and Communication Engineering, Istanbul Technical University（电子与通信工程系，伊斯坦布尔技术大学）；Department of Electrical Engineering, Poly-Grames Research Center, Polytechnique Montreal（电气工程系，Poly-Grames研究中心，蒙特利尔理工学院）；Department of Computer Engineering, Istanbul Technical University（计算机工程系，伊斯坦布尔技术大学）
Pacific Northwest National Laboratory（太平洋西北国家实验室）；University of Minnesota（明尼苏达大学）；University of Illinois Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）
Numerical modeling and simulation have become indispensable tools for advancing a comprehensive understanding of the underlying mechanisms and cost-effective process optimization and control of flow batteries. In this study, we propose an enhanced version of the physics-constrained deep neural network (PCDNN) approach [1] to provide high-accuracy voltage predictions in the vanadium redox flow batteries (VRFBs). The purpose of the PCDNN approach is to enforce the physics-based zero-dimensional (0D) VRFB model in a neural network to assure model generalization for various battery operation condi…
Situation-aware technologies enabled by multiobject tracking (MOT) methods will create new services and applications in fields such as autonomous navigation and applied ocean sciences. Belief propagation (BP) is a state-of-the-art method for Bayesian MOT but fully relies on a statistical model and preprocessed sensor measurements. In this paper, we establish a hybrid method for model-based and data-driven MOT. The proposed neural enhanced belief propagation (NEBP) approach complements BP by information learned from raw sensor data with the goal to improve data association and to reject false a…
