We introduce a family of multilayer graph kernels and establish new links between graph convolutional neural networks and kernel methods. Our approach generalizes convolutional kernel networks to graph-structured data, by representing graphs as a sequence of kernel feature maps, where each node carries information about local graph substructures. On the one hand, the kernel point of view offers an unsupervised, expressive, and easy-to-regularize data representation, which is useful when limited samples are available. On the other hand, our model can also be trained end-to-end on large-scale data, leading to new types of graph convolutional neural networks. We show that our method achieves competitive performance on several graph classification benchmarks, while offering simple model interpretation. Our code is freely available at https://github.com/claying/GCKN.
Learning the kernel functions used in kernel methods has been a vastly explored area in machine learning. It is now widely accepted that to obtain 'good' performance, learning a kernel function is the key challenge. In this work we focus on learning kernel representations for structured regression. We propose use of polynomials expansion of kernels, referred to as Schoenberg transforms and Gegenbaur transforms, which arise from the seminal result of Schoenberg (1938). These kernels can be thought of as polynomial combination of input features in a high dimensional reproducing kernel Hilbert sp…
School of Computer Science & Informatics, Cardiff University（卡迪夫大学计算机科学与信息学院）
A novel kernel-based support vector machine (SVM) for graph classification is proposed. The SVM feature space mapping consists of a sequence of graph convolutional layers, which generates a vector space representation for each vertex, followed by a pooling layer which generates a reproducing kernel Hilbert space (RKHS) representation for the graph. The use of a RKHS offers the ability to implicitly operate in this space using a kernel function without the computational complexity of explicitly mapping into it. The proposed model is trained in a supervised end-to-end manner whereby the convolut…
The empirical success of deep convolutional networks on tasks involving high-dimensional data such as images or audio suggests that they can efficiently approximate certain functions that are well-suited for such tasks. In this paper, we study this through the lens of kernel methods, by considering simple hierarchical kernels with two or three convolution and pooling layers, inspired by convolutional kernel networks. These achieve good empirical performance on standard vision datasets, while providing a precise description of their functional space that yields new insights on their inductive b…
Institute of Information Engineering, Chinese Academy of Sciences（中国科学院信息工程研究所）；School of Cyber Security, University of Chinese Academy of Sciences（中国科学院大学网络空间安全学院）
Recently, non-stationary spectral kernels have drawn much attention, owing to its powerful feature representation ability in revealing long-range correlations and input-dependent characteristics. However, non-stationary spectral kernels are still shallow models, thus they are deficient to learn both hierarchical features and local interdependence. In this paper, to obtain hierarchical and local knowledge, we build an interpretable convolutional spectral kernel network (\texttt{CSKN}) based on the inverse Fourier transform, where we introduce deep architectures and convolutional filters into no…
Inria（法国国家信息与自动化研究所）；Laboratoire Jean Kuntzmann（让·昆茨曼实验室）；CNRS（法国国家科学研究中心）；Univ. Grenoble Alpes（格勒诺布尔阿尔卑斯大学）
In this paper, we introduce a new image representation based on a multilayer kernel machine. Unlike traditional kernel methods where data representation is decoupled from the prediction task, we learn how to shape the kernel with supervision. We proceed by first proposing improvements of the recently-introduced convolutional kernel networks (CKNs) in the context of unsupervised learning; then, we derive backpropagation rules to take advantage of labeled training data. The resulting model is a new type of convolutional neural network, where optimizing the filters at each layer is equivalent to …
Stanford University（斯坦福大学）；University of California, Berkeley（加州大学伯克利分校）
Recent empirical work has shown that hierarchical convolutional kernels inspired by convolutional neural networks (CNNs) significantly improve the performance of kernel methods in image classification tasks. A widely accepted explanation for their success is that these architectures encode hypothesis classes that are suitable for natural images. However, understanding the precise interplay between approximation and generalization in convolutional architectures remains a challenge. In this paper, we consider the stylized setting of covariates (image pixels) uniformly distributed on the hypercub…
The success of deep convolutional architectures is often attributed in part to their ability to learn multiscale and invariant representations of natural signals. However, a precise study of these properties and how they affect learning guarantees is still missing. In this paper, we consider deep convolutional representations of signals; we study their invariance to translations and to more general groups of transformations, their stability to the action of diffeomorphisms, and their ability to preserve signal information. This analysis is carried by introducing a multilayer kernel based on co…
The Neural Tangent Kernel (NTK) is an important milestone in the ongoing effort to build a theory for deep learning. Its prediction that sufficiently wide neural networks behave as kernel methods, or equivalently as random feature models, has been confirmed empirically for certain wide architectures. It remains an open question how well NTK theory models standard neural network architectures of widths common in practice, trained on complex datasets such as ImageNet. We study this question empirically for two well-known convolutional neural network architectures, namely AlexNet and LeNet, and f…
We present a data dependent generalization bound for a large class of regularized algorithms which implement structured sparsity constraints. The bound can be applied to standard squared-norm regularization, the Lasso, the group Lasso, some versions of the group Lasso with overlapping groups, multiple kernel learning and other regularization schemes. In all these cases competitive results are obtained. A novel feature of our bound is that it can be applied in an infinite dimensional setting such as the Lasso in a separable Hilbert space or multiple kernel learning with a countable number of ke…
Ecole Normale Supérieure（巴黎高等师范学院）；Université PSL（巴黎文理研究大学）；CNRS（法国国家科学研究中心）；Sorbonne Université（索邦大学）；Université de Paris（巴黎大学）；Collège de France（法兰西公学院）；LightOn（LightOn公司）；Ecole Polytechnique Fédérale de Lausanne（洛桑联邦理工学院）
Reservoir Computing is a class of simple yet efficient Recurrent Neural Networks where internal weights are fixed at random and only a linear output layer is trained. In the large size limit, such random neural networks have a deep connection with kernel methods. Our contributions are threefold: a) We rigorously establish the recurrent kernel limit of Reservoir Computing and prove its convergence. b) We test our models on chaotic time series prediction, a classic but challenging benchmark in Reservoir Computing, and show how the Recurrent Kernel is competitive and computationally efficient whe…
Despite the recent progress towards efficient multiple kernel learning (MKL), the structured output case remains an open research front. Current approaches involve repeatedly solving a batch learning problem, which makes them inadequate for large scale scenarios. We propose a new family of online proximal algorithms for MKL (as well as for group-lasso and variants thereof), which overcomes that drawback. We show regret, convergence, and generalization bounds for the proposed method. Experiments on handwriting recognition and dependency parsing testify for the successfulness of the approach.
Convolutional neural network is a very important model of deep learning. It can help avoid the exploding/vanishing gradient problem and improve the generalizability of a neural network if the singular values of the Jacobian of a layer are bounded around $1$ in the training process. We propose a new penalty function for a convolutional kernel to let the singular values of the corresponding transformation matrix are bounded around $1$. We show how to carry out the gradient type methods. The penalty is about the structured transformation matrix corresponding to a convolutional kernel. This provid…
Most methods for time series classification that attain state-of-the-art accuracy have high computational complexity, requiring significant training time even for smaller datasets, and are intractable for larger datasets. Additionally, many existing methods focus on a single type of feature such as shape or frequency. Building on the recent success of convolutional neural networks for time series classification, we show that simple linear classifiers using random convolutional kernels achieve state-of-the-art accuracy with a fraction of the computational expense of existing methods.
University of Notre Dame（圣母大学）；University of Kentucky（肯塔基大学）
We consider Convolutional Neural Networks (CNNs) with 2D structured features that are symmetric in the spatial dimensions. Such networks arise in modeling pairwise relationships for a sequential recommendation problem, as well as secondary structure inference problems of RNA and protein sequences. We develop a CNN architecture that generates and preserves the symmetry structure in the network's convolutional layers. We present parameterizations for the convolutional kernels that produce update rules to maintain symmetry throughout the training. We apply this architecture to the sequential reco…
Convolutional Neural Networks, as most artificial neural networks, are commonly viewed as methods different in essence from kernel-based methods. We provide a systematic translation of Convolutional Neural Networks (ConvNets) into their kernel-based counterparts, Convolutional Kernel Networks (CKNs), and demonstrate that this perception is unfounded both formally and empirically. We show that, given a Convolutional Neural Network, we can design a corresponding Convolutional Kernel Network, easily trainable using a new stochastic gradient algorithm based on an accurate gradient computation, tha…
This paper introduces Graph Convolutional Recurrent Network (GCRN), a deep learning model able to predict structured sequences of data. Precisely, GCRN is a generalization of classical recurrent neural networks (RNN) to data structured by an arbitrary graph. Such structured sequences can represent series of frames in videos, spatio-temporal measurements on a network of sensors, or random walks on a vocabulary graph for natural language modeling. The proposed model combines convolutional neural networks (CNN) on graphs to identify spatial structures and RNN to find dynamic patterns. We study tw…
RIKEN Center for Advanced Intelligence Project (AIP)（理化学研究所高级智能项目中心（AIP））；Guangdong University of Technology（广东工业大学）
Although the convolutional neural networks (CNNs) have become popular for various image processing and computer vision task recently, it remains a challenging problem to reduce the storage cost of the parameters for resource-limited platforms. In the previous studies, tensor decomposition (TD) has achieved promising compression performance by embedding the kernel of a convolutional layer into a low-rank subspace. However the employment of TD is naively on the kernel or its specified variants. Unlike the conventional approaches, this paper shows that the kernel can be embedded into more general…
Helsinki Institute for Information Technology, HIIT（赫尔辛基信息技术研究所（HIIT））；Aalto University（阿尔托大学）
We introduce the convolutional spectral kernel (CSK), a novel family of non-stationary, nonparametric covariance kernels for Gaussian process (GP) models, derived from the convolution between two imaginary radial basis functions. We present a principled framework to interpret CSK, as well as other deep probabilistic models, using approximated Fourier transform, yielding a concise representation of input-frequency spectrogram. Observing through the lens of the spectrogram, we provide insight on the interpretability of deep models. We then infer the functional hyperparameters using scalable vari…
Carnegie Mellon University（卡内基梅隆大学）；Philips Research Hamburg（飞利浦汉堡研究院）
We introduce a new structured kernel interpolation (SKI) framework, which generalises and unifies inducing point methods for scalable Gaussian processes (GPs). SKI methods produce kernel approximations for fast computations through kernel interpolation. The SKI framework clarifies how the quality of an inducing point approach depends on the number of inducing (aka interpolation) points, interpolation strategy, and GP covariance kernel. SKI also provides a mechanism to create new scalable kernel methods, through choosing different kernel interpolation strategies. Using SKI, with local cubic ker…
Université d’Aix-Marseille（艾克斯-马赛大学）；CNRS（法国国家科学研究中心）；INRIA Lille - Nord Europe（法国国家信息与自动化研究所里尔-北欧分所）；Université de Lille（里尔大学）；INRIA（法国国家信息与自动化研究所）
We study the problem of structured output learning from a regression perspective. We first provide a general formulation of the kernel dependency estimation (KDE) problem using operator-valued kernels. We show that some of the existing formulations of this problem are special cases of our framework. We then propose a covariance-based operator-valued kernel that allows us to take into account the structure of the kernel feature space. This kernel operates on the output space and encodes the interactions between the outputs without any reference to the input space. To address this issue, we intr…
We show that the output of a (residual) convolutional neural network (CNN) with an appropriate prior over the weights and biases is a Gaussian process (GP) in the limit of infinitely many convolutional filters, extending similar results for dense networks. For a CNN, the equivalent kernel can be computed exactly and, unlike "deep kernels", has very few parameters: only the hyperparameters of the original CNN. Further, we show that this kernel has two properties that allow it to be computed efficiently; the cost of evaluating the kernel for a pair of images is similar to a single forward pass t…
We present a practical way of introducing convolutional structure into Gaussian processes, making them more suited to high-dimensional inputs like images. The main contribution of our work is the construction of an inter-domain inducing point approximation that is well-tailored to the convolutional kernel. This allows us to gain the generalisation benefit of a convolutional kernel, together with fast but accurate posterior inference. We investigate several variations of the convolutional kernel, and apply it to MNIST and CIFAR-10, which have both been known to be challenging for Gaussian proce…
Radboud University（拉德堡德大学）；Donders Centre for Cognition（唐德斯认知中心）
3D convolutional neural networks are difficult to train because they are parameter-expensive and data-hungry. To solve these problems we propose a simple technique for learning 3D convolutional kernels efficiently requiring less training data. We achieve this by factorizing the 3D kernel along the temporal dimension, reducing the number of parameters and making training from data more efficient. Additionally we introduce a novel dataset called Video-MNIST to demonstrate the performance of our method. Our method significantly outperforms the conventional 3D convolution in the low data regime (1…
Regularization techniques are widely used to improve the generality, robustness, and efficiency of deep convolutional neural networks (DCNNs). In this paper, we propose a novel approach of regulating DCNN convolutional kernels by a structured filter bank. Comparing with the existing regularization methods, such as $\ell_1$ or $\ell_2$ minimization of DCNN kernel weights and the kernel orthogonality, which ignore sample correlations within a kernel, the use of filter bank in regularization of DCNNs can mold the DCNN kernels to common spatial structures and features (e.g., edges or textures of v…
Action recognition greatly benefits motion understanding in video analysis. Recurrent networks such as long short-term memory (LSTM) networks are a popular choice for motion-aware sequence learning tasks. Recently, a convolutional extension of LSTM was proposed, in which input-to-hidden and hidden-to-hidden transitions are modeled through convolution with a single kernel. This implies an unavoidable trade-off between effectiveness and efficiency. Herein, we propose a new enhancement to convolutional LSTM networks that supports accommodation of multiple convolutional kernels and layers. This re…
It is a usual practice to ignore any structural information underlying classes in multi-class classification. In this paper, we propose a graph convolutional network (GCN) augmented neural network classifier to exploit a known, underlying graph structure of labels. The proposed approach resembles an (approximate) inference procedure in, for instance, a conditional random field (CRF). We evaluate the proposed approach on document classification and object recognition and report both accuracies and graph-theoretic metrics that correspond to the consistency of the model's prediction. The experime…
In this paper, we propose a novel progressive parameter pruning method for Convolutional Neural Network acceleration, named Structured Probabilistic Pruning (SPP), which effectively prunes weights of convolutional layers in a probabilistic manner. Unlike existing deterministic pruning approaches, where unimportant weights are permanently eliminated, SPP introduces a pruning probability for each weight, and pruning is guided by sampling from the pruning probabilities. A mechanism is designed to increase and decrease pruning probabilities based on importance criteria in the training process. Exp…
China University of Geosciences（中国地质大学）；University of Kentucky（肯塔基大学）
Convolutional neural network is an important model in deep learning. To avoid exploding/vanishing gradient problems and to improve the generalizability of a neural network, it is desirable to have a convolution operation that nearly preserves the norm, or to have the singular values of the transformation matrix corresponding to a convolutional kernel bounded around $1$. We propose a penalty function that can be used in the optimization of a convolutional neural network to constrain the singular values of the transformation matrix around $1$. We derive an algorithm to carry out the gradient des…
Stony Brook University（石溪大学）；The State University of New York Korea（纽约州立大学韩国分校）
We applied pre-defined kernels also known as filters or masks developed for image processing to convolution neural network. Instead of letting neural networks find its own kernels, we used 41 different general-purpose kernels of blurring, edge detecting, sharpening, discrete cosine transformation, etc. for the first layer of the convolution neural networks. This architecture, thus named as general filter convolutional neural network (GFNN), can reduce training time by 30% with a better accuracy compared to the regular convolutional neural network (CNN). GFNN also can be trained to achieve 90% …
Precise in-season corn grain yield estimates enable farmers to make real-time accurate harvest and grain marketing decisions minimizing possible losses of profitability. A well developed corn ear can have up to 800 kernels, but manually counting the kernels on an ear of corn is labor-intensive, time consuming and prone to human error. From an algorithmic perspective, the detection of the kernels from a single corn ear image is challenging due to the large number of kernels at different angles and very small distance among the kernels. In this paper, we propose a kernel detection and counting m…
Indian Institute of Technology, Hyderabad（印度理工学院海得拉巴分校）；Amazon Research（亚马逊研究院）
Deep Gaussian processes (DGPs) provide a Bayesian non-parametric alternative to standard parametric deep learning models. A DGP is formed by stacking multiple GPs resulting in a well-regularized composition of functions. The Bayesian framework that equips the model with attractive properties, such as implicit capacity control and predictive uncertainty, makes it at the same time challenging to combine with a convolutional structure. This has hindered the application of DGPs in computer vision tasks, an area where deep parametric models (i.e. CNNs) have made breakthroughs. Standard kernels used…
In classification applications, we often want probabilistic predictions to reflect confidence or uncertainty. Dropout, a commonly used training technique, has recently been linked to Bayesian inference, yielding an efficient way to quantify uncertainty in neural network models. However, as previously demonstrated, confidence estimates computed with a naive implementation of dropout can be poorly calibrated, particularly when using convolutional networks. In this paper, through the lens of ensemble learning, we associate calibration error with the correlation between the models sampled with dro…
West Virginia University（西弗吉尼亚大学）；Claremont Graduate University（克莱蒙特研究生大学）；University of California—San Diego（加利福尼亚大学圣地亚哥分校）
This paper introduces kdiff, a novel kernel-based measure for estimating distances between instances of time series, random fields and other forms of structured data. This measure is based on the idea of matching distributions that only overlap over a portion of their region of support. Our proposed measure is inspired by MPdist which has been previously proposed for such datasets and is constructed using Euclidean metrics, whereas kdiff is constructed using non-linear kernel distances. Also, kdiff accounts for both self and cross similarities across the instances and is defined using a lower …
Center for Neural Science（神经科学中心）；New York University（纽约大学）；Department of Psychology and Center for Data Science（心理学系与数据科学中心）
Modern deep neural networks require a tremendous amount of data to train, often needing hundreds or thousands of labeled examples to learn an effective representation. For these networks to work with less data, more structure must be built into their architectures or learned from previous experience. The learned weights of convolutional neural networks (CNNs) trained on large datasets for object recognition contain a substantial amount of structure. These representations have parallels to simple cells in the primary visual cortex, where receptive fields are smooth and contain many regularities…
In this paper, we consider parameter recovery for non-overlapping convolutional neural networks (CNNs) with multiple kernels. We show that when the inputs follow Gaussian distribution and the sample size is sufficiently large, the squared loss of such CNNs is $\mathit{~locally~strongly~convex}$ in a basin of attraction near the global optima for most popular activation functions, like ReLU, Leaky ReLU, Squared ReLU, Sigmoid and Tanh. The required sample complexity is proportional to the dimension of the input and polynomial in the number of kernels and a condition number of the parameters. We …
An important goal in visual recognition is to devise image representations that are invariant to particular transformations. In this paper, we address this goal with a new type of convolutional neural network (CNN) whose invariance is encoded by a reproducing kernel. Unlike traditional approaches where neural networks are learned either to represent data or for solving a classification task, our network learns to approximate the kernel feature map on training data. Such an approach enjoys several benefits over classical ones. First, by teaching CNNs to be invariant, we obtain simple network ar…
Princeton University（普林斯顿大学）；Carnegie Mellon University（卡内基梅隆大学）；Institute for Advanced Study（高等研究院）
Recent research shows that for training with $\ell_2$ loss, convolutional neural networks (CNNs) whose width (number of channels in convolutional layers) goes to infinity correspond to regression with respect to the CNN Gaussian Process kernel (CNN-GP) if only the last layer is trained, and correspond to regression with respect to the Convolutional Neural Tangent Kernel (CNTK) if all layers are trained. An exact algorithm to compute CNTK (Arora et al., 2019) yielded the finding that classification accuracy of CNTK on CIFAR-10 is within 6-7% of that of that of the corresponding CNN architecture…
This paper introduces a generalization of Convolutional Neural Networks (CNNs) from low-dimensional grid data, such as images, to graph-structured data. We propose a novel spatial convolution utilizing a random walk to uncover the relations within the input, analogous to the way the standard convolution uses the spatial neighborhood of a pixel on the grid. The convolution has an intuitive interpretation, is efficient and scalable and can also be used on data with varying graph structure. Furthermore, this generalization can be applied to many standard regression or classification problems, by …
Huawei（华为）；École Polytechnique（巴黎综合理工学院）；Institute Polytechnique de Paris（巴黎理工学院）；AUEB（雅典经济与商业大学）
The robustness of the much-used Graph Convolutional Networks (GCNs) to perturbations of their input is becoming a topic of increasing importance. In this paper, the random GCN is introduced for which a random matrix theory analysis is possible. This analysis suggests that if the graph is sufficiently perturbed, or in the extreme case random, then the GCN fails to benefit from the node features. It is furthermore observed that enhancing the message passing step in GCNs by adding the node feature kernel to the adjacency matrix of the graph structure solves this problem. An empirical study of a G…
Institute of Physics（物理研究所）；École Polytechnique Fédérale de Lausanne（洛桑联邦理工学院）
Convolutional neural networks perform a local and translationally-invariant treatment of the data: quantifying which of these two aspects is central to their success remains a challenge. We study this problem within a teacher-student framework for kernel regression, using `convolutional' kernels inspired by the neural tangent kernel of simple convolutional architectures of given filter size. Using heuristic methods from physics, we find in the ridgeless case that locality is key in determining the learning curve exponent $β$ (that relates the test error $ε_t\sim P^{-β}$ to the size of the trai…
Convolutional deep sets are the architecture of a deep neural network (DNN) that can model stationary stochastic process. This architecture uses the kernel smoother and the DNN to construct the translation equivariant functional representations, and thus reflects the inductive bias of the stationarity into DNN. However, since this architecture employs the kernel smoother known as the non-parametric model, it may produce ambiguous representations when the number of data points is not given sufficiently. To remedy this issue, we introduce Bayesian convolutional deep sets that construct the rando…
University of California, Riverside（加州大学河滨分校）；University of Southern California（南加利福尼亚大学）
In this paper we study the problem of learning the weights of a deep convolutional neural network. We consider a network where convolutions are carried out over non-overlapping patches with a single kernel in each layer. We develop an algorithm for simultaneously learning all the kernels from the training data. Our approach dubbed Deep Tensor Decomposition (DeepTD) is based on a rank-1 tensor decomposition. We theoretically investigate DeepTD under a realizable model for the training data where the inputs are chosen i.i.d. from a Gaussian distribution and the labels are generated according to …
Real time application of deep learning algorithms is often hindered by high computational complexity and frequent memory accesses. Network pruning is a promising technique to solve this problem. However, pruning usually results in irregular network connections that not only demand extra representation efforts but also do not fit well on parallel computation. We introduce structured sparsity at various scales for convolutional neural networks, which are channel wise, kernel wise and intra kernel strided sparsity. This structured sparsity is very advantageous for direct computational resource sa…
Imperial College London（帝国理工学院）；Cortexica Vision Systems Limited（Cortexica视觉系统有限公司）
Image understanding using deep convolutional network has reached human-level performance, yet a closely related problem of video understanding especially, action recognition has not reached the requisite level of maturity. We combine multi-kernels based support-vector-machines (SVM) with a multi-stream deep convolutional neural network to achieve close to state-of-the-art performance on a 51-class activity recognition problem (HMDB-51 dataset); this specific dataset has proved to be particularly challenging for deep neural networks due to the heterogeneity in camera viewpoints, video quality, …
Bayesian Optimization (BO) has shown great promise for the global optimization of functions that are expensive to evaluate, but despite many successes, standard approaches can struggle in high dimensions. To improve the performance of BO, prior work suggested incorporating gradient information into a Gaussian process surrogate of the objective, giving rise to kernel matrices of size $nd \times nd$ for $n$ observations in $d$ dimensions. Naïvely multiplying with (resp. inverting) these matrices requires $\mathcal{O}(n^2d^2)$ (resp. $\mathcal{O}(n^3d^3$)) operations, which becomes infeasible for…
Institute of Neuroinformatics, University of Zürich and ETH Zürich（苏黎世大学与苏黎世联邦理工学院神经信息学研究所）
Deep Neural Networks, particularly Convolutional Neural Networks (ConvNets), have achieved incredible success in many vision tasks, but they usually require millions of parameters for good accuracy performance. With increasing applications that use ConvNets, updating hundreds of networks for multiple tasks on an embedded device can be costly in terms of memory, bandwidth, and energy. Approaches to reduce this cost include model compression and parameter-efficient models that adapt a subset of network layers for each new task. This work proposes a novel parameter-efficient kernel modulation (KM…
