Recently, graph neural networks (GNNs) have become an important and active research direction in deep learning. It is worth noting that most of the existing GNN-based methods learn graph representations within the Euclidean vector space. Beyond the Euclidean space, learning representation and embeddings in hyper-complex space have also shown to be a promising and effective approach. To this end, we propose Quaternion Graph Neural Networks (QGNN) to learn graph representations within the Quaternion space. As demonstrated, the Quaternion space, a hyper-complex vector space, provides highly meaningful computations and analogical calculus through Hamilton product compared to the Euclidean and complex vector spaces. Our QGNN obtains state-of-the-art results on a range of benchmark datasets for graph classification and node classification. Besides, regarding knowledge graphs, our QGNN-based embedding model achieves state-of-the-art results on three new and challenging benchmark datasets for knowledge graph completion. Our code is available at: \url{https://github.com/daiquocnguyen/QGNN}.
Nanyang Technological University（南洋理工大学）；University of New South Wales（新南威尔士大学）；University of Oxford（牛津大学）
In this work, we move beyond the traditional complex-valued representations, introducing more expressive hypercomplex representations to model entities and relations for knowledge graph embeddings. More specifically, quaternion embeddings, hypercomplex-valued embeddings with three imaginary components, are utilized to represent entities. Relations are modelled as rotations in the quaternion space. The advantages of the proposed approach are: (1) Latent inter-dependencies (between all components) are aptly captured with Hamilton product, encouraging a more compact interaction between entities a…
Distance-Adaptive Quaternion Knowledge Graph Embedding with Bidirectional Rotation
College of Computer Science, Inner Mongolia University（内蒙古大学计算机学院）；Inner Mongolia Key Laboratory of Multilingual Artificial Intelligence Technology（内蒙古多语言人工智能技术重点实验室）
We propose a simple yet effective embedding model to learn quaternion embeddings for entities and relations in knowledge graphs. Our model aims to enhance correlations between head and tail entities given a relation within the Quaternion space with Hamilton product. The model achieves this goal by further associating each relation with two relation-aware rotations, which are used to rotate quaternion embeddings of the head and tail entities, respectively. Experimental results show that our proposed model produces state-of-the-art performances on well-known benchmark datasets for knowledge grap…
The Cyprus Institute（塞浦路斯研究所）；National Institute of Science Education and Research（国家科学教育与研究研究所）；Homi Bhabha National Institute（霍米·巴巴国家研究所）；Microsoft Ltd.（微软有限公司）
Hypercomplex-valued neural networks, including quaternion-valued neural networks, can treat multi-dimensional data as a single entity. In this paper, we present the quaternion-valued recurrent projection neural networks (QRPNNs). Briefly, QRPNNs are obtained by combining the non-local projection learning with the quaternion-valued recurrent correlation neural network (QRCNNs). We show that QRPNNs overcome the cross-talk problem of QRCNNs. Thus, they are appropriate to implement associative memories. Furthermore, computational experiments reveal that QRPNNs exhibit greater storage capacity and …
Université d’Avignon（阿维尼翁大学）；Orkis（奥基斯公司）；MILA（米拉研究所）；Université de Montréal（蒙特利尔大学）；McGill University（麦吉尔大学）；Element AI（元素人工智能公司）
Recurrent neural networks (RNNs) are powerful architectures to model sequential data, due to their capability to learn short and long-term dependencies between the basic elements of a sequence. Nonetheless, popular tasks such as speech or images recognition, involve multi-dimensional input features that are characterized by strong internal dependencies between the dimensions of the input vector. We propose a novel quaternion recurrent neural network (QRNN), alongside with a quaternion long-short term memory neural network (QLSTM), that take into account both the external relations and these in…
This paper proposes a set of rules to revise various neural networks for 3D point cloud processing to rotation-equivariant quaternion neural networks (REQNNs). We find that when a neural network uses quaternion features under certain conditions, the network feature naturally has the rotation-equivariance property. Rotation equivariance means that applying a specific rotation transformation to the input point cloud is equivalent to applying the same rotation transformation to all intermediate-layer quaternion features. Besides, the REQNN also ensures that the intermediate-layer features are inv…
In recent years, hyper-complex deep networks (such as complex-valued and quaternion-valued neural networks) have received a renewed interest in the literature. They find applications in multiple fields, ranging from image reconstruction to 3D audio processing. Similar to their real-valued counterparts, quaternion neural networks (QVNNs) require custom regularization strategies to avoid overfitting. In addition, for many real-world applications and embedded implementations, there is the need of designing sufficiently compact networks, with few weights and neurons. However, the problem of regula…
We introduce Graph Neural Processes (GNP), inspired by the recent work in conditional and latent neural processes. A Graph Neural Process is defined as a Conditional Neural Process that operates on arbitrary graph data. It takes features of sparsely observed context points as input, and outputs a distribution over target points. We demonstrate graph neural processes in edge imputation and discuss benefits and drawbacks of the method for other application areas. One major benefit of GNPs is the ability to quantify uncertainty in deep learning on graph structures. An additional benefit of this m…
South Westfalia University of Applied Science（西南威斯特伐利亚应用科学大学）
We propose a novel neural network architecture based on dual quaternions which allow for a compact representation of informations with a main focus on describing rigid body movements. To cover the dynamic behavior inherent to rigid body movements, we propose recurrent architectures in the neural network. To further model the interactions between individual rigid bodies as well as external inputs efficiently, we incorporate a novel attention mechanism employing dual quaternion algebra. The introduced architecture is trainable by means of gradient based algorithms. We apply our approach to a par…
University of Pennsylvania（宾夕法尼亚大学）；Dept. of Electrical and Systems Eng.（电气与系统工程系）；Philadelphia, PA 19143（费城，PA 19143）
Graph neural networks (GNNs) rely on graph convolutions to extract local features from network data. These graph convolutions combine information from adjacent nodes using coefficients that are shared across all nodes. Since these coefficients are shared and do not depend on the graph, one can envision using the same coefficients to define a GNN on another graph. This motivates analyzing the transferability of GNNs across graphs. In this paper we introduce graphon NNs as limit objects of GNNs and prove a bound on the difference between the output of a GNN and its limit graphon-NN. This bound v…
University of Oxford（牛津大学）；Samsung AI（三星人工智能）；Avignon University（阿维尼翁大学）
Despite the significant progress in automatic speech recognition (ASR), distant ASR remains challenging due to noise and reverberation. A common approach to mitigate this issue consists of equipping the recording devices with multiple microphones that capture the acoustic scene from different perspectives. These multi-channel audio recordings contain specific internal relations between each signal. In this paper, we propose to capture these inter- and intra- structural dependencies with quaternion neural networks, which can jointly process multiple signals as whole quaternion entities. The qua…
University of Bonn（波恩大学）；Fraunhofer IAIS（弗劳恩霍夫智能分析与信息系统研究所）
Knowledge graph (KG) embedding aims at embedding entities and relations in a KG into a lowdimensional latent representation space. Existing KG embedding approaches model entities andrelations in a KG by utilizing real-valued , complex-valued, or hypercomplex-valued (Quaternionor Octonion) representations, all of which are subsumed into a geometric algebra. In this work,we introduce a novel geometric algebra-based KG embedding framework, GeomE, which uti-lizes multivector representations and the geometric product to model entities and relations. Ourframework subsumes several state-of-the-art KG…
Convolutional neural networks (CNN) have recently achieved state-of-the-art results in various applications. In the case of image recognition, an ideal model has to learn independently of the training data, both local dependencies between the three components (R,G,B) of a pixel, and the global relations describing edges or shapes, making it efficient with small or heterogeneous datasets. Quaternion-valued convolutional neural networks (QCNN) solved this problematic by introducing multidimensional algebra to CNN. This paper proposes to explore the fundamental reason of the success of QCNN over …
Université d'Avignon（阿维尼翁大学）；Université de Montréal（蒙特利尔大学）；McGill University（麦吉尔大学）；Orkis（奥基斯公司）；Element AI（Element AI公司）
Recently, the connectionist temporal classification (CTC) model coupled with recurrent (RNN) or convolutional neural networks (CNN), made it easier to train speech recognition systems in an end-to-end fashion. However in real-valued models, time frame components such as mel-filter-bank energies and the cepstral coefficients obtained from them, together with their first and second order derivatives, are processed as individual elements, while a natural alternative is to process such components as composed entities. We propose to group such elements in the form of quaternions and to process thes…
University of Maryland（马里兰大学）；Nanyang Technological University（南洋理工大学）；Amazon AI（亚马逊人工智能）；MIT CSAIL（麻省理工学院计算机科学与人工智能实验室）；Facebook AI（脸书人工智能）；UNSW（新南威尔士大学）；Singapore Management University（新加坡管理大学）；Mila；Polytechnique Montréal（蒙特利尔理工大学）
Many state-of-the-art neural models for NLP are heavily parameterized and thus memory inefficient. This paper proposes a series of lightweight and memory efficient neural architectures for a potpourri of natural language processing (NLP) tasks. To this end, our models exploit computation using Quaternion algebra and hypercomplex spaces, enabling not only expressive inter-component interactions but also significantly ($75\%$) reduced parameter size due to lesser degrees of freedom in the Hamilton product. We propose Quaternion variants of models, giving rise to new architectures such as the Qua…
We introduce a novel embedding model, named NoGE, which aims to integrate co-occurrence among entities and relations into graph neural networks to improve knowledge graph completion (i.e., link prediction). Given a knowledge graph, NoGE constructs a single graph considering entities and relations as individual nodes. NoGE then computes weights for edges among nodes based on the co-occurrence of entities and relations. Next, NoGE proposes Dual Quaternion Graph Neural Networks (DualQGNN) and utilizes DualQGNN to update vector representations for entity and relation nodes. NoGE then adopts a scor…
Escuela Superior Politécnica del Litoral（滨海理工学院）；Universidade Estadual de Campinas（坎皮纳斯州立大学）
The field of neural networks has seen significant advances in recent years with the development of deep and convolutional neural networks. Although many of the current works address real-valued models, recent studies reveal that neural networks with hypercomplex-valued parameters can better capture, generalize, and represent the complexity of multidimensional data. This paper explores the quaternion-valued convolutional neural network application for a pattern recognition task from medicine, namely, the diagnosis of acute lymphoblastic leukemia. Precisely, we compare the performance of real-va…
Shanghai Jiao Tong University（上海交通大学）；Southern University of Science and Technology（南方科技大学）；Huawei International（华为国际）；John Hopcroft Center（约翰·霍普克罗夫特中心）；AI Institute, Shanghai Jiao Tong University（上海交通大学人工智能研究院）
We propose a method to revise the neural network to construct the quaternion-valued neural network (QNN), in order to prevent intermediate-layer features from leaking input information. The QNN uses quaternion-valued features, where each element is a quaternion. The QNN hides input information into a random phase of quaternion-valued features. Even if attackers have obtained network parameters and intermediate-layer features, they cannot extract input information without knowing the target phase. In this way, the QNN can effectively protect the input privacy. Besides, the output accuracy of QN…
Learning from data in the quaternion domain enables us to exploit internal dependencies of 4D signals and treating them as a single entity. One of the models that perfectly suits with quaternion-valued data processing is represented by 3D acoustic signals in their spherical harmonics decomposition. In this paper, we address the problem of localizing and detecting sound events in the spatial sound field by using quaternion-valued data processing. In particular, we consider the spherical harmonic components of the signals captured by a first-order ambisonic microphone and process them by using a…
Despite recent advances in representation learning in hypercomplex (HC) space, this subject is still vastly unexplored in the context of graphs. Motivated by the complex and quaternion algebras, which have been found in several contexts to enable effective representation learning that inherently incorporates a weight-sharing mechanism, we develop graph neural networks that leverage the properties of hypercomplex feature transformation. In particular, in our proposed class of models, the multiplication rule specifying the algebra itself is inferred from the data during training. Given a fixed m…
Recurrent neural networks (RNN) are at the core of modern automatic speech recognition (ASR) systems. In particular, long-short term memory (LSTM) recurrent neural networks have achieved state-of-the-art results in many speech recognition tasks, due to their efficient representation of long and short term dependencies in sequences of inter-dependent features. Nonetheless, internal dependencies within the element composing multidimensional features are weakly considered by traditional real-valued representations. We propose a novel quaternion long-short term memory (QLSTM) recurrent neural netw…
South Westphalia University of Applied Science（西南法伦应用科学大学）
Quaternion valued neural networks experienced rising popularity and interest from researchers in the last years, whereby the derivatives with respect to quaternions needed for optimization are calculated as the sum of the partial derivatives with respect to the real and imaginary parts. However, we can show that product- and chain-rule does not hold with this approach. We solve this by employing the GHRCalculus and derive quaternion backpropagation based on this. Furthermore, we experimentally prove the functionality of the derived quaternion backpropagation.
Quaternion-Based Graph Convolution Network for Recommendation
Soochow University（苏州大学）；Macquarie University（麦考瑞大学）；Rutgers University（罗格斯大学）；Texas Tech University（德克萨斯理工大学）；The Hong Kong University of Science and Technology（香港科技大学）
A desireable property of accelerometric gait-based identification systems is robustness to new device orientations presented by users during testing but unseen during the training phase. However, traditional Convolutional neural networks (CNNs) used in these systems compensate poorly for such transformations. In this paper, we target this problem by introducing Quaternion CNN, a network architecture which is intrinsically layer-wise equivariant and globally invariant under 3D rotations of an array of input vectors. We show empirically that this network indeed significantly outperforms a tradit…
Mitsubishi Electric Research Laboratories (MERL)（三菱电机研究实验室（MERL））；Shanghai Jiao Tong University（上海交通大学）
We propose interpretable graph neural networks for sampling and recovery of graph signals, respectively. To take informative measurements, we propose a new graph neural sampling module, which aims to select those vertices that maximally express their corresponding neighborhoods. Such expressiveness can be quantified by the mutual information between vertices' features and neighborhoods' features, which are estimated via a graph neural network. To reconstruct an original graph signal from the sampled measurements, we propose a graph neural recovery module based on the algorithm-unrolling techni…
Bridge the Gaps: Heterogeneous Attributed Graph Clustering via Quaternion Representation Learning
School of Computer Science and Technology, Guangdong University of Technology（广东工业大学计算机科学与技术学院）；Tsinghua University（清华大学）；BH-Energy Technology Co., Ltd.（BH-Energy科技有限公司）；Shenzhen MSU-BIT University（深圳北理莫斯科大学）
University of New South Wales（新南威尔士大学）；Nanyang Technological University（南洋理工大学）；Amazon Inc.（亚马逊公司）
This paper proposes Quaternion Collaborative Filtering (QCF), a novel representation learning method for recommendation. Our proposed QCF relies on and exploits computation with Quaternion algebra, benefiting from the expressiveness and rich representation learning capability of Hamilton products. Quaternion representations, based on hypercomplex numbers, enable rich inter-latent dependencies between imaginary components. This encourages intricate relations to be captured when learning user-item interactions, serving as a strong inductive bias as compared with the real-space inner product. All…
University of Southern California（南加州大学）；Adobe Research（奥多比研究院）；Pinscreen；USC Institute for Creative Technologies（南加州大学创意技术研究所）
In neural networks, it is often desirable to work with various representations of the same space. For example, 3D rotations can be represented with quaternions or Euler angles. In this paper, we advance a definition of a continuous representation, which can be helpful for training deep neural networks. We relate this to topological concepts such as homeomorphism and embedding. We then investigate what are continuous and discontinuous representations for 2D, 3D, and n-dimensional rotations. We demonstrate that for 3D rotations, all representations are discontinuous in the real Euclidean spaces …
We introduce an algorithm for designing Neural Group Actions, collections of deep neural network architectures which model symmetric transformations satisfying the laws of a given finite group. This generalizes involutive neural networks $\mathcal{N}$, which satisfy $\mathcal{N}(\mathcal{N}(x))=x$ for any data $x$, the group law of $\mathbb{Z}_2$. We show how to optionally enforce an additional constraint that the group action be volume-preserving. We conjecture, by analogy to a universality result for involutive neural networks, that generative models built from Neural Group Actions are unive…
Temporal Knowledge Graph Completion with Time-sensitive Relations in Hypercomplex Space
School of Computer Science and Technology, East China Normal University（华东师范大学计算机科学与技术学院）；College of Computer Science and Technology, Guizhou University（贵州大学计算机科学与技术学院）；Department of Industrial Engineering, Tsinghua University（清华大学工业工程系）
Institute of Mathematics, Statistics, and Scientific Computing（数学、统计与科学计算研究所）；University of Campinas（坎皮纳斯大学）
Recurrent correlation neural networks (RCNNs), introduced by Chiueh and Goodman as an improved version of the bipolar correlation-based Hopfield neural network, can be used to implement high-capacity associative memories. In this paper, we extend the bipolar RCNNs for processing hypercomplex-valued data. Precisely, we present the mathematical background for a broad class of hypercomplex-valued RCNNs. Then, we provide the necessary conditions which ensure that a hypercomplex-valued RCNN always settles at an equilibrium using either synchronous or asynchronous update modes. Examples with bipolar…
Sapienza University of Rome（罗马大学）；Amazon Web Services AI（亚马逊云服务人工智能部门）
Hypercomplex neural networks have proven to reduce the overall number of parameters while ensuring valuable performance by leveraging the properties of Clifford algebras. Recently, hypercomplex linear layers have been further improved by involving efficient parameterized Kronecker products. In this paper, we define the parameterization of hypercomplex convolutional layers and introduce the family of parameterized hypercomplex neural networks (PHNNs) that are lightweight and efficient large-scale models. Our method grasps the convolution rules and the filter organization directly from data with…
Federal Institute of Education, Science and Technology of Espírito Santo（圣埃斯皮里图联邦教育、科学与技术学院）；University of Campinas（坎皮纳斯大学）
In this paper, we address the stability of a broad class of discrete-time hypercomplex-valued Hopfield-type neural networks. To ensure the neural networks belonging to this class always settle down at a stationary state, we introduce novel hypercomplex number systems referred to as real-part associative hypercomplex number systems. Real-part associative hypercomplex number systems generalize the well-known Cayley-Dickson algebras and real Clifford algebras and include the systems of real numbers, complex numbers, dual numbers, hyperbolic numbers, quaternions, tessarines, and octonions as parti…
University of Southern California（南加州大学）；Pinscreen, Inc.（Pinscreen公司）
In this paper, we provide some careful analysis of certain pathological behavior of Euler angles and unit quaternions encountered in previous works related to rotation representation in neural networks. In particular, we show that for certain problems, these two representations will provably produce completely wrong results for some inputs, and that this behavior is inherent in the topological property of the problem itself and is not caused by unsuitable network architectures or training procedures. We further show that previously proposed embeddings of $\mathrm{SO}(3)$ into higher dimensiona…
University of Cambridge（剑桥大学）；Google Research（谷歌研究院）
Label propagation is a powerful and flexible semi-supervised learning technique on graphs. Neural networks, on the other hand, have proven track records in many supervised learning tasks. In this work, we propose a training framework with a graph-regularised objective, namely "Neural Graph Machines", that can combine the power of neural networks and label propagation. This work generalises previous literature on graph-augmented training of neural networks, enabling it to be applied to multiple neural architectures (Feed-forward NNs, CNNs and LSTM RNNs) and a wide range of graphs. The new objec…
