Inspired by the immense success of deep learning, graph neural networks (GNNs) are widely used to learn powerful node representations and have demonstrated promising performance on different graph learning tasks. However, most real-world graphs often come with high-dimensional and sparse node features, rendering the learned node representations from existing GNN architectures less expressive. In this paper, we propose \textit{Feature Interaction-aware Graph Neural Networks (FI-GNNs)}, a plug-and-play GNN framework for learning node representations encoded with informative feature interactions. Specifically, the proposed framework is able to highlight informative feature interactions in a personalized manner and further learn highly expressive node representations on feature-sparse graphs. Extensive experiments on various datasets demonstrate the superior capability of FI-GNNs for graph learning tasks.
Nanyang Technological University（南洋理工大学）；Alibaba Group（阿里巴巴集团）；Victoria University（维多利亚大学）；Simon Fraser University（西蒙弗雷泽大学）；South China University of Technology（华南理工大学）
Knowledge graph embedding, which aims to learn the low-dimensional representations of entities and relationships, has attracted considerable research efforts recently. However, most knowledge graph embedding methods focus on the structural relationships in fixed triples while ignoring the temporal information. Currently, existing time-aware graph embedding methods only focus on the factual plausibility, while ignoring the temporal smoothness which models the interactions between a fact and its contexts, and thus can capture fine-granularity temporal relationships. This leads to the limited per…
Graph neural networks (GNNs) are emerging machine learning models on graphs. Permutation-equivariance and proximity-awareness are two important properties highly desirable for GNNs. Both properties are needed to tackle some challenging graph problems, such as finding communities and leaders. In this paper, we first analytically show that the existing GNNs, mostly based on the message-passing mechanism, cannot simultaneously preserve the two properties. Then, we propose Stochastic Message Passing (SMP) model, a general and simple GNN to maintain both proximity-awareness and permutation-equivari…
We propose a new Graph Neural Network that combines recent advancements in the field. We give theoretical contributions by proving that the model is strictly more general than the Graph Isomorphism Network and the Gated Graph Neural Network, as it can approximate the same functions and deal with arbitrary edge values. Then, we show how a single node information can flow through the graph unchanged.
The recent proliferation of publicly available graph-structured data has sparked an interest in machine learning algorithms for graph data. Since most traditional machine learning algorithms assume data to be tabular, embedding algorithms for mapping graph data to real-valued vector spaces has become an active area of research. Existing graph embedding approaches are based purely on structural information and ignore any semantic information from the underlying domain. In this paper, we demonstrate that semantic information can play a useful role in computing graph embeddings. Specifically, we …
Learning node embeddings that capture a node's position within the broader graph structure is crucial for many prediction tasks on graphs. However, existing Graph Neural Network (GNN) architectures have limited power in capturing the position/location of a given node with respect to all other nodes of the graph. Here we propose Position-aware Graph Neural Networks (P-GNNs), a new class of GNNs for computing position-aware node embeddings. P-GNN first samples sets of anchor nodes, computes the distance of a given target node to each anchor-set,and then learns a non-linear distance-weighted aggr…
Graph Neural Networks (GNNs) have been widely studied for graph data representation and learning. However, existing GNNs generally conduct context-aware learning on node feature representation only which usually ignores the learning of edge (weight) representation. In this paper, we propose a novel unified GNN model, named Context-aware Adaptive Graph Attention Network (CaGAT). CaGAT aims to learn a context-aware attention representation for each graph edge by further exploiting the context relationships among different edges. In particular, CaGAT conducts context-aware learning on both node f…
Indian Institute of Technology Kanpur（印度理工学院坎普尔分校）；Indian Institute of Technology Delhi（印度理工学院德里分校）
Majority of the existing graph neural networks (GNN) learn node embeddings that encode their local neighborhoods but not their positions. Consequently, two nodes that are vastly distant but located in similar local neighborhoods map to similar embeddings in those networks. This limitation prevents accurate performance in predictive tasks that rely on position information. In this paper, we develop GraphReach, a position-aware inductive GNN that captures the global positions of nodes through reachability estimations with respect to a set of anchor nodes. The anchors are strategically selected s…
Graph Neural Networks (GNNs) are widely used in graph representation learning. However, most GNN methods are designed for either homogeneous or heterogeneous graphs. In this paper, we propose a new model, Hop-Hop Relation-aware Graph Neural Network (HHR-GNN), to unify representation learning for these two types of graphs. HHR-GNN learns a personalized receptive field for each node by leveraging knowledge graph embedding to learn relation scores between the central node's representations at different hops. In neighborhood aggregation, our model simultaneously allows for hop-aware projection and…
How can we augment a dynamic graph for improving the performance of dynamic graph neural networks? Graph augmentation has been widely utilized to boost the learning performance of GNN-based models. However, most existing approaches only enhance spatial structure within an input static graph by transforming the graph, and do not consider dynamics caused by time such as temporal locality, i.e., recent edges are more influential than earlier ones, which remains challenging for dynamic graph augmentation. In this work, we propose TiaRa (Time-aware Random Walk Diffusion), a novel diffusion-based me…
University of California, Los Angeles（加利福尼亚大学洛杉矶分校）；Snap Inc.（色拉布公司）
Explaining machine learning models is an important and increasingly popular area of research interest. The Shapley value from game theory has been proposed as a prime approach to compute feature importance towards model predictions on images, text, tabular data, and recently graph neural networks (GNNs) on graphs. In this work, we revisit the appropriateness of the Shapley value for GNN explanation, where the task is to identify the most important subgraph and constituent nodes for GNN predictions. We claim that the Shapley value is a non-ideal choice for graph data because it is by definition…
Graduate School of Science and Technology（科技研究生院）；Nara Institute of Science and Technology（奈良先端科学技术大学院大学）
Graphs are a highly expressive data structure, but it is often difficult for humans to find patterns from a complex graph. Hence, generating human-interpretable sequences from graphs have gained interest, called graph2seq learning. It is expected that the compositionality in a graph can be associated to the compositionality in the output sequence in many graph2seq tasks. Therefore, applying compositionality-aware GNN architecture would improve the model performance. In this study, we adopt the multi-level attention pooling (MLAP) architecture, that can aggregate graph representations from mult…
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…
We present a generic and trend-aware curriculum learning approach for graph neural networks. It extends existing approaches by incorporating sample-level loss trends to better discriminate easier from harder samples and schedule them for training. The model effectively integrates textual and structural information for relation extraction in text graphs. Experimental results show that the model provides robust estimations of sample difficulty and shows sizable improvement over the state-of-the-art approaches across several datasets.
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）
Heterogeneous graph neural networks (HGNNs) have been widely applied in heterogeneous information network tasks, while most HGNNs suffer from poor scalability or weak representation when they are applied to large-scale heterogeneous graphs. To address these problems, we propose a novel Relation-aware Heterogeneous Graph Neural Network with Contrastive Learning (RHCO) for large-scale heterogeneous graph representation learning. Unlike traditional heterogeneous graph neural networks, we adopt the contrastive learning mechanism to deal with the complex heterogeneity of large-scale heterogeneous g…
The problem of session-aware recommendation aims to predict users' next click based on their current session and historical sessions. Existing session-aware recommendation methods have defects in capturing complex item transition relationships. Other than that, most of them fail to explicitly distinguish the effects of different historical sessions on the current session. To this end, we propose a novel method, named Personalized Graph Neural Networks with Attention Mechanism (A-PGNN) for brevity. A-PGNN mainly consists of two components: one is Personalized Graph Neural Network (PGNN), which …
IBM Research - Almaden（IBM阿尔马登研究中心）；IBM Research - Zurich（IBM苏黎世研究中心）
Knowledge graph embedding methods learn embeddings of entities and relations in a low dimensional space which can be used for various downstream machine learning tasks such as link prediction and entity matching. Various graph convolutional network methods have been proposed which use different types of information to learn the features of entities and relations. However, these methods assign the same weight (importance) to the neighbors when aggregating the information, ignoring the role of different relations with the neighboring entities. To this end, we propose a relation-aware graph atten…
South China University of Technology（华南理工大学）；Concordia University（康考迪亚大学）
Graph-based semi-supervised learning, which can exploit the connectivity relationship between labeled and unlabeled data, has been shown to outperform the state-of-the-art in many artificial intelligence applications. One of the most challenging problems for graph-based semi-supervised node classification is how to use the implicit information among various data to improve the performance of classifying. Traditional studies on graph-based semi-supervised learning have focused on the pairwise connections among data. However, the data correlation in real applications could be beyond pairwise and…
Graphs can facilitate modeling various complex systems such as gene networks and power grids, as well as analyzing the underlying relations within them. Learning over graphs has recently attracted increasing attention, particularly graph neural network-based (GNN) solutions, among which graph attention networks (GATs) have become one of the most widely utilized neural network structures for graph-based tasks. Although it is shown that the use of graph structures in learning results in the amplification of algorithmic bias, the influence of the attention design in GATs on algorithmic bias has n…
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 …
Tsinghua University（清华大学）；Tencent AI Lab（腾讯人工智能实验室）
Graph instance contrastive learning has been proved as an effective task for Graph Neural Network (GNN) pre-training. However, one key issue may seriously impede the representative power in existing works: Positive instances created by current methods often miss crucial information of graphs or even yield illegal instances (such as non-chemically-aware graphs in molecular generation). To remedy this issue, we propose to select positive graph instances directly from existing graphs in the training set, which ultimately maintains the legality and similarity to the target graphs. Our selection is…
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…
Uber Advanced Technologies Group（优步先进技术集团）；University of Toronto（多伦多大学）
In this paper, we tackle the problem of relational behavior forecasting from sensor data. Towards this goal, we propose a novel spatially-aware graph neural network (SpAGNN) that models the interactions between agents in the scene. Specifically, we exploit a convolutional neural network to detect the actors and compute their initial states. A graph neural network then iteratively updates the actor states via a message passing process. Inspired by Gaussian belief propagation, we design the messages to be spatially-transformed parameters of the output distributions from neighboring agents. Our m…
The Tutte Institute for Mathematics and Computing（塔特数学与计算研究所）
In this paper, we propose a family of graph partition similarity measures that take the topology of the graph into account. These graph-aware measures are alternatives to using set partition similarity measures that are not specifically designed for graph partitions. The two types of measures, graph-aware and set partition measures, are shown to have opposite behaviors with respect to resolution issues and provide complementary information necessary to assess that two graph partitions are similar.
Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences（中国科学院深圳先进技术研究院）
Due to the cost of labeling nodes, classifying a node in a sparsely labeled graph while maintaining the prediction accuracy deserves attention. The key point is how the algorithm learns sufficient information from more neighbors with different hop distances. This study first proposes a hop-aware attention supervision mechanism for the node classification task. A simulated annealing learning strategy is then adopted to balance two learning tasks, node classification and the hop-aware attention coefficients, along the training timeline. Compared with state-of-the-art models, the experimental res…
As a popular approach to modeling the dynamics of training overparametrized neural networks (NNs), the neural tangent kernels (NTK) are known to fall behind real-world NNs in generalization ability. This performance gap is in part due to the \textit{label agnostic} nature of the NTK, which renders the resulting kernel not as \textit{locally elastic} as NNs~\citep{he2019local}. In this paper, we introduce a novel approach from the perspective of \emph{label-awareness} to reduce this gap for the NTK. Specifically, we propose two label-aware kernels that are each a superimposition of a label-agno…
Multi-view data analysis has gained increasing popularity because multi-view data are frequently encountered in machine learning applications. A simple but promising approach for clustering of multi-view data is multi-view clustering (MVC), which has been developed extensively to classify given subjects into some clustered groups by learning latent common features that are shared across multi-view data. Among existing approaches, graph-based multi-view clustering (GMVC) achieves state-of-the-art performance by leveraging a shared graph matrix called the unified matrix. However, existing method…
Recommendation systems and computing advertisements have gradually entered the field of academic research from the field of commercial applications. Click-through rate prediction is one of the core research issues because the prediction accuracy affects the user experience and the revenue of merchants and platforms. Feature engineering is very important to improve click-through rate prediction. Traditional feature engineering heavily relies on people's experience, and is difficult to construct a feature combination that can describe the complex patterns implied in the data. This paper combines…
Beihang University（北京航空航天大学）；Alibaba Group（阿里巴巴集团）；Jinan University（暨南大学）；CUHK（香港中文大学）；Tsinghua University（清华大学）；Nanjing University of Aeronautics and Astronautics（南京航空航天大学）；Wechat, Tencent Inc.（腾讯公司微信）
Recent advances in Graph Convolutional Networks (GCNs) have led to state-of-the-art performance on various graph-related tasks. However, most existing GCN models do not explicitly identify whether all the aggregated neighbors are valuable to the learning tasks, which may harm the learning performance. In this paper, we consider the problem of node classification and propose the Label-Aware Graph Convolutional Network (LAGCN) framework which can directly identify valuable neighbors to enhance the performance of existing GCN models. Our contribution is three-fold. First, we propose a label-aware…
The Australian National University（澳大利亚国立大学）；Monash University（莫纳什大学）；Research Center of Léonard de Vinci Pôle Universitaire（莱昂纳多·达·文西大学中心研究中心）；Data61, CSIRO（澳大利亚联邦科学与工业研究组织Data61）；University of Turku（图尔库大学）
Learning to learn (L2L) trains a meta-learner to assist the learning of a task-specific base learner. Previously, it was shown that a meta-learner could learn the direct rules to update learner parameters; and that the learnt neural optimiser updated learners more rapidly than handcrafted gradient-descent methods. However, we demonstrate that previous neural optimisers were limited to update learners on one designated dataset. In order to address input-domain heterogeneity, we introduce Multi-Task Learning to Learn (MTL2L), a context aware neural optimiser which self-modifies its optimisation …
While neural network hardware accelerators provide a substantial amount of raw compute throughput, the models deployed on them must be co-designed for the underlying hardware architecture to obtain the optimal system performance. We present a class of computer vision models designed using hardware-aware neural architecture search and customized to run on the Edge TPU, Google's neural network hardware accelerator for low-power, edge devices. For the Edge TPU in Coral devices, these models enable real-time image classification performance while achieving accuracy typically seen only with larger,…
We propose a novel visual context-aware filter generation module which incorporates contextual information present in images into Convolutional Neural Networks (CNNs). In contrast to traditional CNNs, we do not employ the same set of learned convolution filters for all input image instances. Our proposed input-conditioned convolution filters when combined with techniques inspired by Multi-instance learning and max-pooling, results in a transformation-invariant neural network. We investigated the performance of our proposed framework on three MNIST variations, which covers both rotation and sca…
Understanding relationships between feature variables is one important way humans use to make decisions. However, state-of-the-art deep learning studies either focus on task-agnostic statistical dependency learning or do not model explicit feature dependencies during prediction. We propose a deep neural network framework, dGAP, to learn neural dependency Graph and optimize structure-Aware target Prediction simultaneously. dGAP trains towards a structure self-supervision loss and a target prediction loss jointly. Our method leads to an interpretable model that can disentangle sparse feature rel…
Michigan State University（密歇根州立大学）；University of Central Florida（中佛罗里达大学）；Tencent AI Lab（腾讯人工智能实验室）
Recent works (White et al., 2020a; Yan et al., 2020) demonstrate the importance of architecture encodings in Neural Architecture Search (NAS). These encodings encode either structure or computation information of the neural architectures. Compared to structure-aware encodings, computation-aware encodings map architectures with similar accuracies to the same region, which improves the downstream architecture search performance (Zhang et al., 2019; White et al., 2020a). In this work, we introduce a Computation-Aware Transformer-based Encoding method called CATE. Different from existing computati…
Duke University（杜克大学）；Colorado State University（科罗拉多州立大学）
We propose a novel hardware-aware magnitude pruning technique for coherent photonic neural networks. The proposed technique can prune 99.45% of network parameters and reduce the static power consumption by 98.23% with a negligible accuracy loss.
Understanding the 3-dimensional structure of the world is a core challenge in computer vision and robotics. Neural rendering approaches learn an implicit 3D model by predicting what a camera would see from an arbitrary viewpoint. We extend existing neural rendering to more complex, higher dimensional scenes than previously possible. We propose Epipolar Cross Attention (ECA), an attention mechanism that leverages the geometry of the scene to perform efficient non-local operations, requiring only $O(n)$ comparisons per spatial dimension instead of $O(n^2)$. We introduce three new simulated datas…
Ghent University - imec（根特大学 - imec）；Ghent University（根特大学）
Deep neural networks require large amounts of resources which makes them hard to use on resource constrained devices such as Internet-of-things devices. Offloading the computations to the cloud can circumvent these constraints but introduces a privacy risk since the operator of the cloud is not necessarily trustworthy. We propose a technique that obfuscates the data before sending it to the remote computation node. The obfuscated data is unintelligible for a human eavesdropper but can still be classified with a high accuracy by a neural network trained on unobfuscated images.
Established recurrent neural networks are well-suited to solve a wide variety of prediction tasks involving discrete sequences. However, they do not perform as well in the task of dynamical system identification, when dealing with observations from continuous variables that are unevenly sampled in time, for example due to missing observations. We show how such neural sequence models can be adapted to deal with variable step sizes in a natural way. In particular, we introduce a time-aware and stationary extension of existing models (including the Gated Recurrent Unit) that allows them to deal w…
University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；Toyota Technological Institute at Chicago（芝加哥丰田工业大学）
In hardware-aware Differentiable Neural Architecture Search (DNAS), it is challenging to compute gradients of hardware metrics to perform architecture search. Existing works rely on linear approximations with limited support to customized hardware accelerators. In this work, we propose End-to-end Hardware-aware DNAS (EH-DNAS), a seamless integration of end-to-end hardware benchmarking, and fully automated DNAS to deliver hardware-efficient deep neural networks on various platforms, including Edge GPUs, Edge TPUs, Mobile CPUs, and customized accelerators. Given a desired hardware platform, we p…
IRIT, University of Toulouse（图卢兹大学IRIT研究所）；ISAE-SUPAERO, University of Toulouse（图卢兹大学高等航空航天学院）；University of Amsterdam（阿姆斯特丹大学）
Incorporating equivariance to symmetry groups as a constraint during neural network training can improve performance and generalization for tasks exhibiting those symmetries, but such symmetries are often not perfectly nor explicitly present. This motivates algorithmically optimizing the architectural constraints imposed by equivariance. We propose the equivariance relaxation morphism, which preserves functionality while reparameterizing a group equivariant layer to operate with equivariance constraints on a subgroup, as well as the [G]-mixed equivariant layer, which mixes layers constrained t…
Neural networks can be used as surrogates for PDE models. They can be made physics-aware by penalizing underlying equations or the conservation of physical properties in the loss function during training. Current approaches allow to additionally respect data from numerical simulations or experiments in the training process. However, this data is frequently expensive to obtain and thus only scarcely available for complex models. In this work, we investigate how physics-aware models can be enriched with computationally cheaper, but inexact, data from other surrogate models like Reduced-Order Mod…
The design of handcrafted neural networks requires a lot of time and resources. Recent techniques in Neural Architecture Search (NAS) have proven to be competitive or better than traditional handcrafted design, although they require domain knowledge and have generally used limited search spaces. In this paper, we propose a novel framework for neural architecture search, utilizing a dictionary of models of base tasks and the similarity between the target task and the atoms of the dictionary; hence, generating an adaptive search space based on the base models of the dictionary. By introducing a …
