Recent years have witnessed the emergence and development of graph neural networks (GNNs), which have been shown as a powerful approach for graph representation learning in many tasks, such as node classification and graph classification. The research on the robustness of these models has also started to attract attentions in the machine learning field. However, most of the existing work in this area focus on the GNNs for node-level tasks, while little work has been done to study the robustness of the GNNs for the graph classification task. In this paper, we aim to explore the vulnerability of the Hierarchical Graph Pooling (HGP) Neural Networks, which are advanced GNNs that perform very well in the graph classification in terms of prediction accuracy. We propose an adversarial attack framework for this task. Specifically, we design a surrogate model that consists of convolutional and pooling operators to generate adversarial samples to fool the hierarchical GNN-based graph classification models. We set the preserved nodes by the pooling operator as our attack targets, and then we perturb the attack targets slightly to fool the pooling operator in hierarchical GNNs so that they will select the wrong nodes to preserve. We show the adversarial samples generated from multiple datasets by our surrogate model have enough transferability to attack current state-of-art graph classification models. Furthermore, we conduct the robust train on the target models and demonstrate that the retrained graph classification models are able to better defend against the attack from the adversarial samples. To the best of our knowledge, this is the first work on the adversarial attack against hierarchical GNN-based graph classification models.
Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph n…
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…
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…
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…
Graph pooling is an essential ingredient of Graph Neural Networks (GNNs) in graph classification and regression tasks. For these tasks, different pooling strategies have been proposed to generate a graph-level representation by downsampling and summarizing nodes' features in a graph. However, most existing pooling methods are unable to capture distinguishable structural information effectively. Besides, they are prone to adversarial attacks. In this work, we propose a novel pooling method named as {HIBPool} where we leverage the Information Bottleneck (IB) principle that optimally balances the…
University of Pittsburgh（匹兹堡大学）；Intel Labs（英特尔实验室）；Lehigh University（里海大学）
Recent years have witnessed the emergence and flourishing of hierarchical graph pooling neural networks (HGPNNs) which are effective graph representation learning approaches for graph level tasks such as graph classification. However, current HGPNNs do not take full advantage of the graph's intrinsic structures (e.g., community structure). Moreover, the pooling operations in existing HGPNNs are difficult to be interpreted. In this paper, we propose a new interpretable graph pooling framework - CommPOOL, that can capture and preserve the hierarchical community structure of graphs in the graph r…
Shanghai Jiao Tong University（上海交通大学）；École Polytechnique Fédérale de Lausanne (EPFL)（洛桑联邦理工学院（EPFL））
With the advent of data science, the analysis of network or graph data has become a very timely research problem. A variety of recent works have been proposed to generalize neural networks to graphs, either from a spectral graph theory or a spatial perspective. The majority of these works however focus on adapting the convolution operator to graph representation. At the same time, the pooling operator also plays an important role in distilling multiscale and hierarchical representations but it has been mostly overlooked so far. In this paper, we propose a parameter-free pooling operator, calle…
Graph pooling has been increasingly considered for graph neural networks (GNNs) to facilitate hierarchical graph representation learning. Existing graph pooling methods commonly consist of two stages, i.e., selecting the top-ranked nodes and removing the rest nodes to construct a coarsened graph representation. However, local structural information of the removed nodes would be inevitably dropped in these methods, due to the inherent coupling of nodes (location) and their features (signals). In this paper, we propose an enhanced three-stage method via lifting, named LiftPool, to improve hierar…
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…
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）
Hierarchical Representation Learning in Graph Neural Networks with Node Decimation Pooling
UiT the Arctic University of Norway（挪威北极大学）；NORCE, Norwegian Research Centre（挪威NORCE研究中心）；Università della Svizzera italiana（意大利语瑞士大学）；University of Manitoba（曼尼托巴大学）；University of Exeter（埃克塞特大学）；Politecnico di Milano（米兰理工大学）
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 …
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）
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 …
Michigan State University（密歇根州立大学）；Pennsylvania State University（宾夕法尼亚州立大学）；IBM T. J. Watson Research Center（IBM T·J·沃森研究中心）
Graph neural networks, which generalize deep neural network models to graph structured data, have attracted increasing attention in recent years. They usually learn node representations by transforming, propagating and aggregating node features and have been proven to improve the performance of many graph related tasks such as node classification and link prediction. To apply graph neural networks for the graph classification task, approaches to generate the \textit{graph representation} from node representations are demanded. A common way is to globally combine the node representations. Howev…
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…
MDL-Pool: Adaptive Multilevel Graph Pooling Based on Minimum Description Length
Chair of Machine Learning for Complex Networks（复杂网络机器学习教授席位）；Center for Artificial Intelligence and Data Science (CAIDAS)（人工智能与数据科学中心）；Julius-Maximilians-Universität Würzburg（乌尔姆-马克西米利安大学）
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…
Recent work in graph neural networks (GNNs) has led to improvements in molecular activity and property prediction tasks. Unfortunately, GNNs often fail to capture the relative importance of interactions between molecular substructures, in part due to the absence of efficient intermediate pooling steps. To address these issues, we propose LaPool (Laplacian Pooling), a novel, data-driven, and interpretable hierarchical graph pooling method that takes into account both node features and graph structure to improve molecular representation. We benchmark LaPool on molecular graph prediction and unde…
Graph neural networks have achieved great success in learning node representations for graph tasks such as node classification and link prediction. Graph representation learning requires graph pooling to obtain graph representations from node representations. It is challenging to develop graph pooling methods due to the variable sizes and isomorphic structures of graphs. In this work, we propose to use second-order pooling as graph pooling, which naturally solves the above challenges. In addition, compared to existing graph pooling methods, second-order pooling is able to use information from …
MaxCutPool: differentiable feature-aware Maxcut for pooling in graph neural networks
Alma Mater Studiorum - University of Bologna（博洛尼亚大学）；UiT the Arctic University of Norway（挪威北极大学）；Fondazione Istituto Italiano di Tecnologia（意大利技术研究院）；NORCE Norwegian Research Centre AS（NORCE挪威研究中心）
HES-SO（瑞士西部应用科学与艺术大学）；University of Geneva（日内瓦大学）；Risklick AG（Risklick公司）；Clinical Trials Unit, Bern（伯尔尼临床试验中心）
We consider the hierarchical representation of documents as graphs and use geometric deep learning to classify them into different categories. While graph neural networks can efficiently handle the variable structure of hierarchical documents using the permutation invariant message passing operations, we show that we can gain extra performance improvements using our proposed selective graph pooling operation that arises from the fact that some parts of the hierarchy are invariable across different documents. We applied our model to classify clinical trial (CT) protocols into completed and term…
University of Cambridge（剑桥大学）；Faculty of Computing, Union University, Belgrade（贝尔格莱德联盟大学计算学院）；University of Amsterdam（阿姆斯特丹大学）
Recent advances in representation learning on graphs, mainly leveraging graph convolutional networks, have brought a substantial improvement on many graph-based benchmark tasks. While novel approaches to learning node embeddings are highly suitable for node classification and link prediction, their application to graph classification (predicting a single label for the entire graph) remains mostly rudimentary, typically using a single global pooling step to aggregate node features or a hand-designed, fixed heuristic for hierarchical coarsening of the graph structure. An important step towards a…
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…
Image classification is considered, and a hierarchical max-pooling model with additional local pooling is introduced. Here the additional local pooling enables the hierachical model to combine parts of the image which have a variable relative distance towards each other. Various convolutional neural network image classifiers are introduced and compared in view of their rate of convergence. The finite sample size performance of the estimates is analyzed by applying them to simulated and real data.
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…
Shanghai Jiao Tong University（上海交通大学）；École Polytechnique Fédérale de Lausanne (EPFL)（洛桑联邦理工学院）
Graph neural networks have attracted wide attentions to enable representation learning of graph data in recent works. In complement to graph convolution operators, graph pooling is crucial for extracting hierarchical representation of graph data. However, most recent graph pooling methods still fail to efficiently exploit the geometry of graph data. In this paper, we propose a novel graph pooling strategy that leverages node proximity to improve the hierarchical representation learning of graph data with their multi-hop topology. Node proximity is obtained by harmonizing the kernel representat…
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…
Many theories have emerged which investigate how in- variance is generated in hierarchical networks through sim- ple schemes such as max and mean pooling. The restriction to max/mean pooling in theoretical and empirical studies has diverted attention away from a more general way of generating invariance to nuisance transformations. We con- jecture that hierarchically building selective invariance (i.e. carefully choosing the range of the transformation to be in- variant to at each layer of a hierarchical network) is im- portant for pattern recognition. We utilize a novel pooling layer called a…
We introduce a parametric form of pooling, based on a Gaussian, which can be optimized alongside the features in a single global objective function. By contrast, existing pooling schemes are based on heuristics (e.g. local maximum) and have no clear link to the cost function of the model. Furthermore, the variables of the Gaussian explicitly store location information, distinct from the appearance captured by the features, thus providing a what/where decomposition of the input signal. Although the differentiable pooling scheme can be incorporated in a wide range of hierarchical models, we demo…
University of Michigan（密歇根大学）；University of California, Irvine（加利福尼亚大学尔湾分校）
3D point clouds play pivotal roles in various safety-critical applications, such as autonomous driving, which desires the underlying deep neural networks to be robust to adversarial perturbations. Though a few defenses against adversarial point cloud classification have been proposed, it remains unknown whether they are truly robust to adaptive attacks. To this end, we perform the first security analysis of state-of-the-art defenses and design adaptive evaluations on them. Our 100% adaptive attack success rates show that current countermeasures are still vulnerable. Since adversarial training …
Architectures for sparse hierarchical representation learning have recently been proposed for graph-structured data, but so far assume the absence of edge features in the graph. We close this gap and propose a method to pool graphs with edge features, inspired by the hierarchical nature of chemistry. In particular, we introduce two types of pooling layers compatible with an edge-feature graph-convolutional architecture and investigate their performance for molecules relevant to drug discovery on a set of two classification and two regression benchmark datasets of MoleculeNet. We find that our …
The University of Melbourne（墨尔本大学）；National University of Defense Technology（国防科技大学）
Graph pooling that summaries the information in a large graph into a compact form is essential in hierarchical graph representation learning. Existing graph pooling methods either suffer from high computational complexity or cannot capture the global dependencies between graphs before and after pooling. To address the problems of existing graph pooling methods, we propose Coarsened Graph Infomax Pooling (CGIPool) that maximizes the mutual information between the input and the coarsened graph of each pooling layer to preserve graph-level dependencies. To achieve mutual information neural maximi…
University of Pittsburgh（匹兹堡大学）；University of Illinois at Chicago（伊利诺伊大学芝加哥分校）
Recently brain networks have been widely adopted to study brain dynamics, brain development and brain diseases. Graph representation learning techniques on brain functional networks can facilitate the discovery of novel biomarkers for clinical phenotypes and neurodegenerative diseases. However, current graph learning techniques have several issues on brain network mining. Firstly, most current graph learning models are designed for unsigned graph, which hinders the analysis of many signed network data (e.g., brain functional networks). Meanwhile, the insufficiency of brain network data limits …
Convolution and pooling are the key operations to learn hierarchical representation for graph classification, where more expressive $k$-order($k>1$) method requires more computation cost, limiting the further applications. In this paper, we investigate the strategy of selecting $k$ via neighborhood information gain and propose light $k$-order convolution and pooling requiring fewer parameters while improving the performance. Comprehensive and fair experiments through six graph classification benchmarks show: 1) the performance improvement is consistent to the $k$-order information gain. 2) the…
Center for Brains Minds and Machines, Massachusetts Institute of Technology（麻省理工学院脑、心智与机器中心）；Laboratory for Computational Learning, Istituto Italiano di Tecnologia（意大利理工学院计算学习实验室）；Massachusetts Institute of Technology（麻省理工学院）；DIBRIS, Universitá degli studi di Genova（热那亚大学DIBRIS）；Institute for Infocomm Research（信息通信研究院）
In i-theory a typical layer of a hierarchical architecture consists of HW modules pooling the dot products of the inputs to the layer with the transformations of a few templates under a group. Such layers include as special cases the convolutional layers of Deep Convolutional Networks (DCNs) as well as the non-convolutional layers (when the group contains only the identity). Rectifying nonlinearities -- which are used by present-day DCNs -- are one of the several nonlinearities admitted by i-theory for the HW module. We discuss here the equivalence between group averages of linear combinations…
University of Toronto（多伦多大学）；Vector Institute（向量研究所）
Do all adversarial examples have the same consequences? An autonomous driving system misclassifying a pedestrian as a car may induce a far more dangerous -- and even potentially lethal -- behavior than, for instance, a car as a bus. In order to better tackle this important problematic, we introduce the concept of hierarchical adversarial robustness. Given a dataset whose classes can be grouped into coarse-level labels, we define hierarchical adversarial examples as the ones leading to a misclassification at the coarse level. To improve the resistance of neural networks to hierarchical attacks,…
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…
Department of Computer Science and Technology, Tongji University（同济大学计算机科学与技术系）；Key Laboratory of Embedded System and Service Computing, Ministry of Education（教育部嵌入式系统与服务计算重点实验室）；Tongji University（同济大学）
Cross-domain sentiment classification (CDSC) is an importance task in domain adaptation and sentiment classification. Due to the domain discrepancy, a sentiment classifier trained on source domain data may not works well on target domain data. In recent years, many researchers have used deep neural network models for cross-domain sentiment classification task, many of which use Gradient Reversal Layer (GRL) to design an adversarial network structure to train a domain-shared sentiment classifier. Different from those methods, we proposed Hierarchical Attention Generative Adversarial Networks (H…
We describe a novel extension of soft actor-critics for hierarchical Deep Q-Networks (HDQN) architectures using mutual information metric. The proposed extension provides a suitable framework for encouraging explorations in such hierarchical networks. A natural utilization of this framework is an adversarial setting, where meta-controller and controller play minimax over the mutual information objective but cooperate on maximizing expected rewards.
Deep Neural Networks (DNNs) are known to be vulnerable to adversarial attacks. Currently, there is no clear insight into how slight perturbations cause such a large difference in classification results and how we can design a more robust model architecture. In this work, we propose a novel interpretability method, InterpretGAN, to generate explanations for features used for classification in latent variables. Interpreting the classification process of adversarial examples exposes how adversarial perturbations influence features layer by layer as well as which features are modified by perturbat…
