We propose PiNet, a generalised differentiable attention-based pooling mechanism for utilising graph convolution operations for graph level classification. We demonstrate high sample efficiency and superior performance over other graph neural networks in distinguishing isomorphic graph classes, as well as competitive results with state of the art methods on standard chemo-informatics datasets.
University College London（伦敦大学学院）；Braintree Ltd.（Braintree公司）
We propose an end-to-end deep learning learning model for graph classification and representation learning that is invariant to permutation of the nodes of the input graphs. We address the challenge of learning a fixed size graph representation for graphs of varying dimensions through a differentiable node attention pooling mechanism. In addition to a theoretical proof of its invariance to permutation, we provide empirical evidence demonstrating the statistically significant gain in accuracy when faced with an isomorphic graph classification task given only a small number of training examples.…
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 …
fortiss GmbH（fortiss有限公司）；An-Institut Technische Universität München（慕尼黑工业大学附属研究所）
Graph Neural Network (GNN) research has concentrated on improving convolutional layers, with little attention paid to developing graph pooling layers. Yet pooling layers can enable GNNs to reason over abstracted groups of nodes instead of single nodes. To close this gap, we propose a graph pooling layer relying on the notion of edge contraction: EdgePool learns a localized and sparse hard pooling transform. We show that EdgePool outperforms alternative pooling methods, can be easily integrated into most GNN models, and improves performance on both node and graph classification.
University of Technology Sydney（悉尼科技大学）；Monash University（莫纳什大学）
Graph convolutional networks (GCNs) have recently become one of the most powerful tools for graph analytics tasks in numerous applications, ranging from social networks and natural language processing to bioinformatics and chemoinformatics, thanks to their ability to capture the complex relationships between concepts. At present, the vast majority of GCNs use a neighborhood aggregation framework to learn a continuous and compact vector, then performing a pooling operation to generalize graph embedding for the classification task. These approaches have two disadvantages in the graph classificat…
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）
Nara Institute of Science and Technology（奈良先端科学技术大学院大学）
Graph neural networks (GNNs) have been widely used to learn vector representation of graph-structured data and achieved better task performance than conventional methods. The foundation of GNNs is the message passing procedure, which propagates the information in a node to its neighbors. Since this procedure proceeds one step per layer, the range of the information propagation among nodes is small in the lower layers, and it expands toward the higher layers. Therefore, a GNN model has to be deep enough to capture global structural information in a graph. On the other hand, it is known that dee…
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…
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…
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…
GALUX inc.（GALUX公司）；Seoul National University（首尔国立大学）
In drug discovery, aqueous solubility is an important pharmacokinetic property which affects absorption and assay availability of drug. Thus, in silico prediction of solubility has been studied for its utility in virtual screening and lead optimization. Recently, machine learning (ML) methods using experimental data has been popular because physics-based methods like quantum mechanics and molecular dynamics are not suitable for high-throughput tasks due to its computational costs. However, ML method can exhibit over-fitting problem in a data-deficient condition, and this is the case for most c…
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…
Information Sciences Institute, University of Southern California（南加州大学信息科学研究所）；Michigan State University（密歇根州立大学）；University of California, Los Angeles（加州大学洛杉矶分校）
The ability to capture complex linguistic structures and long-term dependencies among words in the passage is essential for discourse-level relation extraction (DRE) tasks. Graph neural networks (GNNs), one of the methods to encode dependency graphs, have been shown effective in prior works for DRE. However, relatively little attention has been paid to receptive fields of GNNs, which can be crucial for cases with extremely long text that requires discourse understanding. In this work, we leverage the idea of graph pooling and propose to use pooling-unpooling framework on DRE tasks. The pooling…
McGill University（麦吉尔大学）；Université de Montréal（蒙特利尔大学）；HEC Montréal（蒙特利尔高等商学院）；Mila（米拉人工智能研究所）
Graph Neural Networks (GNNs) are attracting growing attention due to their effectiveness and flexibility in modeling a variety of graph-structured data. Exiting GNN architectures usually adopt simple pooling operations (eg. sum, average, max) when aggregating messages from a local neighborhood for updating node representation or pooling node representations from the entire graph to compute the graph representation. Though simple and effective, these linear operations do not model high-order non-linear interactions among nodes. We propose the Tensorized Graph Neural Network (tGNN), a highly exp…
Shanghai Jiao Tong University（上海交通大学）；SenseTime Research（商汤科技研究院）；Qing Yuan Research Institute, Shanghai Jiao Tong University（上海交通大学清源研究院）
Scalability is an important consideration for deep graph neural networks. Inspired by the conventional pooling layers in CNNs, many recent graph learning approaches have introduced the pooling strategy to reduce the size of graphs for learning, such that the scalability and efficiency can be improved. However, these pooling-based methods are mainly tailored to a single graph-level task and pay more attention to local information, limiting their performance in multi-task settings which often require task-specific global information. In this paper, departure from these pooling-based efforts, we …
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…
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…
Video-based emotion recognition is a challenging task because it requires to distinguish the small deformations of the human face that represent emotions, while being invariant to stronger visual differences due to different identities. State-of-the-art methods normally use complex deep learning models such as recurrent neural networks (RNNs, LSTMs, GRUs), convolutional neural networks (CNNs, C3D, residual networks) and their combination. In this paper, we propose a simpler approach that combines a CNN pre-trained on a public dataset of facial images with (1) a spatial attention mechanism, to …
Advanced methods of applying deep learning to structured data such as graphs have been proposed in recent years. In particular, studies have focused on generalizing convolutional neural networks to graph data, which includes redefining the convolution and the downsampling (pooling) operations for graphs. The method of generalizing the convolution operation to graphs has been proven to improve performance and is widely used. However, the method of applying downsampling to graphs is still difficult to perform and has room for improvement. In this paper, we propose a graph pooling method based on…
Recently many effective attention modules are proposed to boot the model performance by exploiting the internal information of convolutional neural networks in computer vision. In general, many previous works ignore considering the design of the pooling strategy of the attention mechanism since they adopt the global average pooling for granted, which hinders the further improvement of the performance of the attention mechanism. However, we empirically find and verify a phenomenon that the simple linear combination of global max-pooling and global min-pooling can produce pooling strategies that…
Huazhong University of Science and Technology（华中科技大学）；IBM T.J. Watson Research Center（IBM T.J. Watson 研究中心）；Northwestern University（西北大学）；AI Foundations, IBM Research（IBM 研究院 AI 基础部门）
Person Re-Identification (person re-id) is a crucial task as its applications in visual surveillance and human-computer interaction. In this work, we present a novel joint Spatial and Temporal Attention Pooling Network (ASTPN) for video-based person re-identification, which enables the feature extractor to be aware of the current input video sequences, in a way that interdependency from the matching items can directly influence the computation of each other's representation. Specifically, the spatial pooling layer is able to select regions from each frame, while the attention temporal pooling …
Self-attention mechanisms model long-range context by using pairwise attention between all input tokens. In doing so, they assume a fixed attention granularity defined by the individual tokens (e.g., text characters or image pixels), which may not be optimal for modeling complex dependencies at higher levels. In this paper, we propose ContextPool to address this problem by adapting the attention granularity for each token. Inspired by the success of ConvNets that are combined with pooling to capture long-range dependencies, we learn to pool neighboring features for each token before computing …
University of Science and Technology of China（中国科学技术大学）
Automatic emotion recognition (AER) is a challenging task due to the abstract concept and multiple expressions of emotion. Although there is no consensus on a definition, human emotional states usually can be apperceived by auditory and visual systems. Inspired by this cognitive process in human beings, it's natural to simultaneously utilize audio and visual information in AER. However, most traditional fusion approaches only build a linear paradigm, such as feature concatenation and multi-system fusion, which hardly captures complex association between audio and video. In this paper, we intro…
National University of Singapore（新加坡国立大学）；A*STAR Bioinformatics Institute（新加坡科技研究局生物信息学研究所）；Singapore Eye Research Institute（新加坡眼科研究所）；A*STAR Genome Institute of Singapore（新加坡科技研究局基因组研究所）
There are different multiple instance learning (MIL) pooling filters used in MIL models. In this paper, we study the effect of different MIL pooling filters on the performance of MIL models in real world MIL tasks. We designed a neural network based MIL framework with 5 different MIL pooling filters: `max', `mean', `attention', `distribution' and `distribution with attention'. We also formulated 5 different MIL tasks on a real world lymph node metastases dataset. We found that the performance of our framework in a task is different for different filters. We also observed that the performances …
This paper presents Contrastive Reconstruction, ConRec - a self-supervised learning algorithm that obtains image representations by jointly optimizing a contrastive and a self-reconstruction loss. We showcase that state-of-the-art contrastive learning methods (e.g. SimCLR) have shortcomings to capture fine-grained visual features in their representations. ConRec extends the SimCLR framework by adding (1) a self-reconstruction task and (2) an attention mechanism within the contrastive learning task. This is accomplished by applying a simple encoder-decoder architecture with two heads. We show t…
University of Illinois at Chicago（伊利诺伊大学芝加哥分校）；Amazon（亚马逊）；Northwestern University（西北大学）
Distributed representations have been used to support downstream tasks in healthcare recently. Healthcare data (e.g., electronic health records) contain multiple modalities of data from heterogeneous sources that can provide complementary information, alongside an added dimension to learning personalized patient representations. To this end, in this paper we propose a novel unsupervised encoder-decoder model, namely Mixed Pooling Multi-View Attention Autoencoder (MPVAA), that generates patient representations encapsulating a holistic view of their medical profile. Specifically, by first learni…
Despite the recent success in many applications, the high computational requirements of vision transformers limit their use in resource-constrained settings. While many existing methods improve the quadratic complexity of attention, in most vision transformers, self-attention is not the major computation bottleneck, e.g., more than 80% of the computation is spent on fully-connected layers. To improve the computational complexity of all layers, we propose a novel token downsampling method, called Token Pooling, efficiently exploiting redundancies in the images and intermediate token representat…
University of Kent（肯特大学）；University of Oxford（牛津大学）
Acoustic scenes are rich and redundant in their content. In this work, we present a spatio-temporal attention pooling layer coupled with a convolutional recurrent neural network to learn from patterns that are discriminative while suppressing those that are irrelevant for acoustic scene classification. The convolutional layers in this network learn invariant features from time-frequency input. The bidirectional recurrent layers are then able to encode the temporal dynamics of the resulting convolutional features. Afterwards, a two-dimensional attention mask is formed via the outer product of t…
Group Activity Recognition (GAR) aims to detect the activity performed by multiple actors in a scene. Prior works model the spatio-temporal features based on the RGB, optical flow or keypoint data types. However, using both the temporality and these data types altogether increase the computational complexity significantly. Our hypothesis is that by only using the RGB data without temporality, the performance can be maintained with a negligible loss in accuracy. To that end, we propose a novel GAR technique for volleyball videos, DECOMPL, which consists of two complementary branches. In the vis…
Indian Institute of Technology, Delhi（德里印度理工学院）；Carnegie Mellon University（卡内基梅隆大学）
Pooling-based recurrent neural architectures consistently outperform their counterparts without pooling. However, the reasons for their enhanced performance are largely unexamined. In this work, we examine three commonly used pooling techniques (mean-pooling, max-pooling, and attention), and propose max-attention, a novel variant that effectively captures interactions among predictive tokens in a sentence. We find that pooling-based architectures substantially differ from their non-pooling equivalents in their learning ability and positional biases--which elucidate their performance benefits. …
Pooling is an essential component of a wide variety of sentence representation and embedding models. This paper explores generalized pooling methods to enhance sentence embedding. We propose vector-based multi-head attention that includes the widely used max pooling, mean pooling, and scalar self-attention as special cases. The model benefits from properly designed penalization terms to reduce redundancy in multi-head attention. We evaluate the proposed model on three different tasks: natural language inference (NLI), author profiling, and sentiment classification. The experiments show that th…
While deep learning has achieved great success in computer vision and many other fields, currently it does not work very well on patient genomic data with the "big p, small N" problem (i.e., a relatively small number of samples with high-dimensional features). In order to make deep learning work with a small amount of training data, we have to design new models that facilitate few-shot learning. Here we present the Affinity Network Model (AffinityNet), a data efficient deep learning model that can learn from a limited number of training examples and generalize well. The backbone of the Affinit…
Enhancing Hyperspace Analogue to Language (HAL) Representations via Attention-Based Pooling for Text Classification
Undergraduate Students, Department of Computer and Automatic Control Engineering, Faculty of Mechanical and Electrical Engineering, Lattakia University（本科生，计算机与自动控制工程系，机械与电气工程学院，拉塔基亚大学）
Deep convolutional neural networks (CNNs) have shown a strong ability in mining discriminative object pose and parts information for image recognition. For fine-grained recognition, context-aware rich feature representation of object/scene plays a key role since it exhibits a significant variance in the same subcategory and subtle variance among different subcategories. Finding the subtle variance that fully characterizes the object/scene is not straightforward. To address this, we propose a novel context-aware attentional pooling (CAP) that effectively captures subtle changes via sub-pixel gr…
Attention Mamba: Time Series Modeling with Adaptive Pooling Acceleration and Receptive Field Enhancements
Graduate School of Information Science and Electrical Engineering, Kyushu University（九州大学情报科学与电气工程研究院）；Graduate School of Business, ECUST, East China University of Science and Technology（华东理工大学商学院）
IBM Watson（IBM沃森）；T.J. Watson Research Center（T.J.沃森研究中心）
In this work, we propose Attentive Pooling (AP), a two-way attention mechanism for discriminative model training. In the context of pair-wise ranking or classification with neural networks, AP enables the pooling layer to be aware of the current input pair, in a way that information from the two input items can directly influence the computation of each other's representations. Along with such representations of the paired inputs, AP jointly learns a similarity measure over projected segments (e.g. trigrams) of the pair, and subsequently, derives the corresponding attention vector for each inp…
From Correlation to Causation: Max-Pooling-Based Multi-Instance Learning Leads to More Robust Whole Slide Image Classification
UniSA STEM, University of South Australia（南澳大利亚大学STEM学院）；School of Computer Science and Engineering, Southeast University（东南大学计算机科学与工程学院）；Key Lab. of Computer Network and Information Integration (Southeast University), MoE, China（计算机网络与信息集成重点实验室（东南大学），教育部，中国）；School of Information and Physical Sciences, The University of Newcastle（新castle大学信息与物理科学学院）；Mohamed bin Zayed University of Artificial Intelligence (MBZUAI)（穆罕默德·本·扎耶德人工智能大学）
TALP Research Center（TALP研究中心）；Universitat Politecnica de Catalunya（加泰罗尼亚理工大学）
The computing power of mobile devices limits the end-user applications in terms of storage size, processing, memory and energy consumption. These limitations motivate researchers for the design of more efficient deep models. On the other hand, self-attention networks based on Transformer architecture have attracted remarkable interests due to their high parallelization capabilities and strong performance on a variety of Natural Language Processing (NLP) applications. Inspired by the Transformer, we propose a tandem Self-Attention Encoding and Pooling (SAEP) mechanism to obtain a discriminative…
University of Science and Technology of China（中国科学技术大学）
In this paper, gating mechanisms are applied in deep neural network (DNN) training for x-vector-based text-independent speaker verification. First, a gated convolution neural network (GCNN) is employed for modeling the frame-level embedding layers. Compared with the time-delay DNN (TDNN), the GCNN can obtain more expressive frame-level representations through carefully designed memory cell and gating mechanisms. Moreover, we propose a novel gated-attention statistics pooling strategy in which the attention scores are shared with the output gate. The gated-attention statistics pooling combines …
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…
BMG-Q: Localized Bipartite Match Graph Attention Q-Learning for Ride-Pooling Order Dispatch
Department of Civil and Environmental Engineering, The Hong Kong University of Science and Technology（香港科学与技术大学土木与环境工程系）；Intelligent Transportation Thrust, Systems Hub, The Hong Kong University of Science and Technology (Guangzhou)（香港科学与技术大学（广州）智能交通 thrust，系统中心）；Department of Aeronautical and Aviation Engineering, The Hong Kong Polytechnic University（香港理工大学航空与航空工程系）
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…
