Graph pooling is a family of operations which take graphs as input and produce shrinked graphs as output. Modern graph pooling methods are trainable and, in general inserted in Graph Neural Networks (GNNs) architectures as graph shrinking operators along the (deep) processing pipeline. This work proposes a novel procedure for pooling graphs, along with a node-centred graph pooling operator.
Graph Neural Networks achieve state-of-the-art performance on a plethora of graph classification tasks, especially due to pooling operators, which aggregate learned node embeddings hierarchically into a final graph representation. However, they are not only questioned by recent work showing on par performance with random pooling, but also ignore completely higher-order connectivity patterns. To tackle this issue, we propose HoscPool, a clustering-based graph pooling operator that captures higher-order information hierarchically, leading to richer graph representations. In fact, we learn a prob…
NORCE, the Norwegian Research Centre（挪威研究中心NORCE）；Università della Svizzera italiana（意大利语区大学（瑞士））；Politecnico di Milano（米兰理工大学）
Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster. However, the eigendecomposition of the Laplacian is expensive and, since clustering results are graph-specific, pooling methods based on SC must perform a new optimization for each new sample. In this paper, we propose a graph clustering approach that addresses these limitations of SC. We formulate a continuous relaxation of the normalized minCUT problem an…
School of Computer Science, Wuhan University（武汉大学计算机学院）；School of Computing and Information Systems, The University of Melbourne（墨尔本大学计算与信息系统学院）；JD Explore Academy（京东探索研究院）；School of Computing, Macquarie University（麦考瑞大学计算学院）
Georgia State University（佐治亚州立大学）；University of Wisconsin–Madison（威斯康星大学麦迪逊分校）
Graph Neural networks (GNNs) have recently become a powerful technique for many graph-related tasks including graph classification. Current GNN models apply different graph pooling methods that reduce the number of nodes and edges to learn the higher-order structure of the graph in a hierarchical way. All these methods primarily rely on the one-hop neighborhood. However, they do not consider the higher- order structure of the graph. In this work, we propose a multi-channel Motif-based Graph Pooling method named (MPool) captures the higher-order graph structure with motif and local and global g…
Recently, there has been considerable research interest in graph clustering aimed at data partition using the graph information. However, one limitation of the most of graph-based methods is that they assume the graph structure to operate is fixed and reliable. And there are inevitably some edges in the graph that are not conducive to graph clustering, which we call spurious edges. This paper is the first attempt to employ graph pooling technique for node clustering and we propose a novel dual graph embedding network (DGEN), which is designed as a two-step graph encoder connected by a graph po…
ENADPool: The Edge-Node Attention-based Differentiable Pooling for Graph Neural Networks
School of Artificial Intelligence, Beijing Normal University（北京师范大学人工智能学院）；School of Information, Central University of Finance and Economics（中央财经大学信息学院）；Key Laboratory of Intelligent Education Technology and Application of Zhejiang Province, Zhejiang Normal University（浙江师范大学浙江省智能教育技术与应用重点实验室）；Department of Computer Science, University of York（约克大学计算机科学系）
Graph neural networks have been widely used on modeling graph data, achieving impressive results on node classification and link prediction tasks. Yet, obtaining an accurate representation for a graph further requires a pooling function that maps a set of node representations into a compact form. A simple sum or average over all node representations considers all node features equally without consideration of their task relevance, and any structural dependencies among them. Recently proposed hierarchical graph pooling methods, on the other hand, may yield the same representation for two differ…
Yale University（耶鲁大学）；Yale School of Medicine（耶鲁大学医学院）；Facebook AI Research（Facebook人工智能研究院）
Understanding how certain brain regions relate to a specific neurological disorder has been an important area of neuroimaging research. A promising approach to identify the salient regions is using Graph Neural Networks (GNNs), which can be used to analyze graph structured data, e.g. brain networks constructed by functional magnetic resonance imaging (fMRI). We propose an interpretable GNN framework with a novel salient region selection mechanism to determine neurological brain biomarkers associated with disorders. Specifically, we design novel regularized pooling layers that highlight salient…
Aalto University（阿尔托大学）；Federal Institute of Ceará（塞阿拉联邦研究所）；University of Manchester（曼彻斯特大学）
Graph pooling is a central component of a myriad of graph neural network (GNN) architectures. As an inheritance from traditional CNNs, most approaches formulate graph pooling as a cluster assignment problem, extending the idea of local patches in regular grids to graphs. Despite the wide adherence to this design choice, no work has rigorously evaluated its influence on the success of GNNs. In this paper, we build upon representative GNNs and introduce variants that challenge the need for locality-preserving representations, either using randomization or clustering on the complement graph. Stri…
Division of Mathematical Sciences School of Physical and Mathematical Sciences（数学科学系物理与数学科学学院）；School of Mathematics（数学学院）；Data Science Institute（数据科学研究所）
Università della Svizzera italiana（瑞士意大利语大学）；UiT the Arctic University of Norway（挪威北极大学）；NORCE, The Norwegian Research Centre（挪威NORCE研究中心）；Politecnico di Milano（米兰理工大学）
Accurate traffic conditions prediction provides a solid foundation for vehicle-environment coordination and traffic control tasks. Because of the complexity of road network data in spatial distribution and the diversity of deep learning methods, it becomes challenging to effectively define traffic data and adequately capture the complex spatial nonlinear features in the data. This paper applies two hierarchical graph pooling approaches to the traffic prediction task to reduce graph information redundancy. First, this paper verifies the effectiveness of hierarchical graph pooling methods in tra…
Stanford University（斯坦福大学）；TU Dortmund University（多特蒙德工业大学）；University of Southern California（南加州大学）
Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical r…
Institute of Exact and Applied Sciences (EA7484), University of New Caledonia（精确与应用科学研究所（EA7484），新喀里多尼亚大学）；Big Data Institute, College of Computer Science and Software Engineering（大数据研究所，计算机科学与软件工程学院）；Shenzhen University, China（深圳大学，中国）
SSHPool: The Separated Subgraph-based Hierarchical Pooling
School of Artificial Intelligence, Beijing Normal University（北京师范大学人工智能学院）；School of Information, Central University of Finance and Economics（中央财经大学信息学院）；Zhejiang Normal University（浙江师范大学）；School of Cyber Science and Technology, Sun Yat-Sen University（中山大学网络空间安全学院）；School of Computer and Information Technology, Shanxi University（山西大学计算机与信息技术学院）；University of Illinois at Chicago（伊利诺伊大学芝加哥分校）；University of York（约克大学）
Indian Institute of Technology, Guwahati（印度理工学院古瓦哈提分校）；Indian Institute of Science, Bangalore（印度科学学院班加罗尔分校）
Graph Neural Networks (GNN) have been shown to work effectively for modeling graph structured data to solve tasks such as node classification, link prediction and graph classification. There has been some recent progress in defining the notion of pooling in graphs whereby the model tries to generate a graph level representation by downsampling and summarizing the information present in the nodes. Existing pooling methods either fail to effectively capture the graph substructure or do not easily scale to large graphs. In this work, we propose ASAP (Adaptive Structure Aware Pooling), a sparse an…
Deep learning methods for graphs have seen rapid progress in recent years with much focus awarded to generalising Convolutional Neural Networks (CNN) to graph data. CNNs are typically realised by alternating convolutional and pooling layers where the pooling layers subsample the grid and exchange spatial or temporal resolution for increased feature dimensionality. Whereas the generalised convolution operator for graphs has been studied extensively and proven useful, hierarchical coarsening of graphs is still challenging since nodes in graphs have no spatial locality and no natural order. This …
Beihang University（北京航空航天大学）；Macquarie University（麦考瑞大学）；University of Illinois at Chicago（伊利诺伊大学芝加哥分校）；Lehigh University（理海大学）
Graph representation learning has attracted increasing research attention. However, most existing studies fuse all structural features and node attributes to provide an overarching view of graphs, neglecting finer substructures' semantics, and suffering from interpretation enigmas. This paper presents a novel hierarchical subgraph-level selection and embedding based graph neural network for graph classification, namely SUGAR, to learn more discriminative subgraph representations and respond in an explanatory way. SUGAR reconstructs a sketched graph by extracting striking subgraphs as the repre…
University of New South Wales（新南威尔士大学）；Max Planck Institute for Mathematics in the Sciences（马克斯·普朗克数学科学研究所）；Zhejiang Normal University（浙江师范大学）；Princeton University（普林斯顿大学）；University of California, Los Angeles（加州大学洛杉矶分校）；City University of Hong Kong（香港城市大学）
Deep Graph Neural Networks (GNNs) are useful models for graph classification and graph-based regression tasks. In these tasks, graph pooling is a critical ingredient by which GNNs adapt to input graphs of varying size and structure. We propose a new graph pooling operation based on compressive Haar transforms -- HaarPooling. HaarPooling implements a cascade of pooling operations; it is computed by following a sequence of clusterings of the input graph. A HaarPooling layer transforms a given input graph to an output graph with a smaller node number and the same feature dimension; the compressiv…
How to utilize deep learning methods for graph classification tasks has attracted considerable research attention in the past few years. Regarding graph classification tasks, the graphs to be classified may have various graph sizes (i.e., different number of nodes and edges) and have various graph properties (e.g., average node degree, diameter, and clustering coefficient). The diverse property of graphs has imposed significant challenges on existing graph learning techniques since diverse graphs have different best-fit hyperparameters. It is difficult to learn graph features from a set of div…
Ant Group（蚂蚁集团）；Wuhan University（武汉大学）；Swinburne University of Technology（斯威本科技大学）
Heterogeneous graph neural network has unleashed great potential on graph representation learning and shown superior performance on downstream tasks such as node classification and clustering. Existing heterogeneous graph learning networks are primarily designed to either rely on pre-defined meta-paths or use attention mechanisms for type-specific attentive message propagation on different nodes/edges, incurring many customization efforts and computational costs. To this end, we design a relation-centered Pooling and Convolution for Heterogeneous Graph learning Network, namely PC-HGN, to enabl…
Hierarchical Pooling and Explainability in Graph Neural Networks for Tumor and Tissue-of-Origin Classification Using RNA-seq Data
Institute of Informatics（信息学院）；Universidade Federal do Rio Grande do Sul（鲁汶联邦大学）；Bioinformatics Core（生物信息学核心）；Hospital de Clínicas de Porto Alegre（波多利亚临床医院）
Chongqing University（重庆大学）；Zhejiang University（浙江大学）；University of California, Los Angeles（加州大学洛杉矶分校）
With the advancement of sensing technology, multivariate time series classification (MTSC) has recently received considerable attention. Existing deep learning-based MTSC techniques, which mostly rely on convolutional or recurrent neural networks, are primarily concerned with the temporal dependency of single time series. As a result, they struggle to express pairwise dependencies among multivariate variables directly. Furthermore, current spatial-temporal modeling (e.g., graph classification) methodologies based on Graph Neural Networks (GNNs) are inherently flat and cannot aggregate hub data…
Graph neural networks (GNN) have been proven to be mature enough for handling graph-structured data on node-level graph representation learning tasks. However, the graph pooling technique for learning expressive graph-level representation is critical yet still challenging. Existing pooling methods either struggle to capture the local substructure or fail to effectively utilize high-order dependency, thus diminishing the expression capability. In this paper we propose HAP, a hierarchical graph-level representation learning framework, which is adaptively sensitive to graph structures, i.e., HAP …
IBM T.J. Watson Research Center（IBM托马斯·J·沃森研究中心）；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）；Northwestern University（西北大学）
Recent advances in the integration of deep learning with automated theorem proving have centered around the representation of logical formulae as inputs to deep learning systems. In particular, there has been a growing interest in adapting structure-aware neural methods to work with the underlying graph representations of logical expressions. While more effective than character and token-level approaches, graph-based methods have often made representational trade-offs that limited their ability to capture key structural properties of their inputs. In this work we propose a novel approach for e…
Graph neural networks (GNN) has been demonstrated to be effective in classifying graph structures. To further improve the graph representation learning ability, hierarchical GNN has been explored. It leverages the differentiable pooling to cluster nodes into fixed groups, and generates a coarse-grained structure accompanied with the shrinking of the original graph. However, such clustering would discard some graph information and achieve the suboptimal results. It is because the node inherently has different characteristics or roles, and two non-isomorphic graphs may have the same coarse-grain…
Fermi National Accelerator Laboratory（费米国家加速器实验室）；Saha Institute of Nuclear Physics（萨哈核物理研究所）
Classifying whole images is a classic problem in machine learning, and graph neural networks are a powerful methodology to learn highly irregular geometries. It is often the case that certain parts of a point cloud are more important than others when determining overall classification. On graph structures this started by pooling information at the end of convolutional filters, and has evolved to a variety of staged pooling techniques on static graphs. In this paper, a dynamic graph formulation of pooling is introduced that removes the need for predetermined graph structure. It achieves this by…
Xidian University（西安电子科技大学）；Shanghai BNC（上海BNC）；Murdoch University（莫道克大学）；The University of Western Australia（西澳大学）
Various methods to deal with graph data have been proposed in recent years. However, most of these methods focus on graph feature aggregation rather than graph pooling. Besides, the existing top-k selection graph pooling methods have a few problems. First, to construct the pooled graph topology, current top-k selection methods evaluate the importance of the node from a single perspective only, which is simplistic and unobjective. Second, the feature information of unselected nodes is directly lost during the pooling process, which inevitably leads to a massive loss of graph feature information…
University of Modena and Reggio Emilia（摩德纳-雷焦艾米利亚大学）
We present a novel and hierarchical approach for supervised classification of signals spanning over a fixed graph, reflecting shared properties of the dataset. To this end, we introduce a Convolutional Cluster Pooling layer exploiting a multi-scale clustering in order to highlight, at different resolutions, locally connected regions on the input graph. Our proposal generalises well-established neural models such as Convolutional Neural Networks (CNNs) on irregular and complex domains, by means of the exploitation of the weight sharing property in a graph-oriented architecture. In this work, su…
Following the success of convolution on non-Euclidean space, the corresponding pooling approaches have also been validated on various tasks regarding graphs. However, because of the fixed compression quota and stepwise pooling design, these hierarchical pooling methods still suffer from local structure damage and suboptimal problem. In this work, inspired by structural entropy, we propose a hierarchical pooling approach, SEP, to tackle the two issues. Specifically, without assigning the layer-specific compression quota, a global optimization algorithm is designed to generate the cluster assign…
In convolutional neural networks (CNNs), pooling operations play important roles such as dimensionality reduction and deformation compensation. In general, max pooling, which is the most widely used operation for local pooling, is performed independently for each kernel. However, the deformation may be spatially smooth over the neighboring kernels. This means that max pooling is too flexible to compensate for actual deformations. In other words, its excessive flexibility risks canceling the essential spatial differences between classes. In this paper, we propose regularized pooling, which enab…
Normandie Univ（诺曼底大学）；ENSICAEN（卡昂国立高等工程师学院）；CNRS（法国国家科学研究中心）；UNICAEN（卡昂大学）；INSA de Rouen（鲁昂国立应用科学学院）；Univ. rouen（鲁昂大学）；Univ. Le Havre（勒阿弗尔大学）
Convolutional neural networks (CNN) have enabled major advances in image classification through convolution and pooling. In particular, image pooling transforms a connected discrete grid into a reduced grid with the same connectivity and allows reduction functions to take into account all the pixels of an image. However, a pooling satisfying such properties does not exist for graphs. Indeed, some methods are based on a vertex selection step which induces an important loss of information. Other methods learn a fuzzy clustering of vertex sets which induces almost complete reduced graphs. We prop…
The goal of this paper is to introduce pooling strategies for simplicial convolutional neural networks. Inspired by graph pooling methods, we introduce a general formulation for a simplicial pooling layer that performs: i) local aggregation of simplicial signals; ii) principled selection of sampling sets; iii) downsampling and simplicial topology adaptation. The general layer is then customized to design four different pooling strategies (i.e., max, top-k, self-attention, and separated top-k) grounded in the theory of topological signal processing. Also, we leverage the proposed layers in a hi…
Pooling operations, which can be calculated at low cost and serve as a linear or nonlinear transfer function for data reduction, are found in almost every modern neural network. Countless modern approaches have already tackled replacing the common maximum value selection and mean value operations, not to mention providing a function that allows different functions to be selected through changing parameters. Additional neural networks are used to estimate the parameters of these pooling functions.Consequently, pooling layers may require supplementary parameters to increase the complexity of the…
Beyond Convolution: Advancing Hypergraph Neural Networks with Hypergraph U-Nets
Institute for Financial Services Analytics, University of Delaware（特拉华大学金融服务分析研究所）；Department of Applied Economics and Statistics, University of Delaware（特拉华大学应用经济学与统计学系）；Department of Electrical and Computer Engineering, University of Kentucky（肯塔基大学电气与计算机工程系）；Department of Electrical and Computer Engineering, University of Delaware（特拉华大学电气与计算机工程系）
Global pooling is one of the most significant operations in many machine learning models and tasks, which works for information fusion and structured data (like sets and graphs) representation. However, without solid mathematical fundamentals, its practical implementations often depend on empirical mechanisms and thus lead to sub-optimal, even unsatisfactory performance. In this work, we develop a novel and generalized global pooling framework through the lens of optimal transport. The proposed framework is interpretable from the perspective of expectation-maximization. Essentially, it aims at…
Feature learning on point clouds has shown great promise, with the introduction of effective and generalizable deep learning frameworks such as pointnet++. Thus far, however, point features have been abstracted in an independent and isolated manner, ignoring the relative layout of neighboring points as well as their features. In the present article, we propose to overcome this limitation by using spectral graph convolution on a local graph, combined with a novel graph pooling strategy. In our approach, graph convolution is carried out on a nearest neighbor graph constructed from a point's neig…
School of Electrical Engineering and Computer Science（电气工程与计算机科学学院）；Royal Institute of Technology (KTH)（皇家理工学院（KTH））；Stockholm（斯德哥尔摩）
Network representation learning (NRL) is a powerful technique for learning low-dimensional vector representation of high-dimensional and sparse graphs. Most studies explore the structure and metadata associated with the graph using random walks and employ an unsupervised or semi-supervised learning schemes. Learning in these methods is context-free, because only a single representation per node is learned. Recently studies have argued on the sufficiency of a single representation and proposed a context-sensitive approach that proved to be highly effective in applications such as link predictio…
Data analysis plays an indispensable role for value creation in industry. Cluster analysis in this context is able to explore given datasets with little or no prior knowledge and to identify unknown patterns. As (big) data complexity increases in the dimensions volume, variety, and velocity, this becomes even more important. Many tools for cluster analysis have been developed from early on and the variety of different clustering algorithms is huge. As the selection of the right clustering procedure is crucial to the results of the data analysis, users are in need for support on their journey o…
Cisco Systems（思科系统公司）；Czech Technical University in Prague（布拉格捷克理工大学）
The nearest prototype classification is a less computationally intensive replacement for the $k$-NN method, especially when large datasets are considered. In metric spaces, centroids are often used as prototypes to represent whole clusters. The selection of cluster prototypes in non-metric spaces is more challenging as the idea of computing centroids is not directly applicable. In this paper, we present CRS, a novel method for selecting a small yet representative subset of objects as a cluster prototype. Memory and computationally efficient selection of representatives is enabled by leveraging…
We present a framework for clustering with cluster-specific feature selection. The framework, CRAFT, is derived from asymptotic log posterior formulations of nonparametric MAP-based clustering models. CRAFT handles assorted data, i.e., both numeric and categorical data, and the underlying objective functions are intuitively appealing. The resulting algorithm is simple to implement and scales nicely, requires minimal parameter tuning, obviates the need to specify the number of clusters a priori, and compares favorably with other methods on real datasets.
We propose an algorithm, HPREF (Hierarchical Partitioning by Repeated Features), that produces a hierarchical partition of a set of clusterings of a fixed dataset, such as sets of clusterings produced by running a clustering algorithm with a range of parameters. This gives geometric structure to such sets of clustering, and can be used to visualize the set of results one obtains by running a clustering algorithm with a range of parameters.
Naval Surface Warfare Center Dahlgren Division（美国海军水面战中心达尔格伦分部）；Johns Hopkins University（约翰霍普金斯大学）
Our problem of interest is to cluster vertices of a graph by identifying underlying community structure. Among various vertex clustering approaches, spectral clustering is one of the most popular methods because it is easy to implement while often outperforming more traditional clustering algorithms. However, there are two inherent model selection problems in spectral clustering, namely estimating both the embedding dimension and number of clusters. This paper attempts to address the issue by establishing a novel model selection framework specifically for vertex clustering on graphs under a st…
Big Data is a massive volume of both structured and unstructured data that is too large and it also difficult to process using traditional techniques. Clustering algorithms have developed as a powerful learning tool that can exactly analyze the volume of data that produced by modern applications. Clustering in data mining is the grouping of a particular set of objects based on their characteristics. The main aim of clustering is to classified data into clusters such that objects are grouped in the same clusters when they are corresponding according to similarities and features mainly. Till now…
