We propose a simple yet effective multiple kernel clustering algorithm, termed simple multiple kernel k-means (SimpleMKKM). It extends the widely used supervised kernel alignment criterion to multi-kernel clustering. Our criterion is given by an intractable minimization-maximization problem in the kernel coefficient and clustering partition matrix. To optimize it, we re-formulate the problem as a smooth minimization one, which can be solved efficiently using a reduced gradient descent algorithm. We theoretically analyze the performance of SimpleMKKM in terms of its clustering generalization error. Comprehensive experiments on 11 benchmark datasets demonstrate that SimpleMKKM outperforms state of the art multi-kernel clustering alternatives.
Universitat de València（瓦伦西亚大学）；Leipzig University（莱比锡大学）；Max Planck Institute for Biogeochemistry（马克斯·普朗克生物地球化学研究所）
Kernel methods are powerful machine learning techniques which implement generic non-linear functions to solve complex tasks in a simple way. They Have a solid mathematical background and exhibit excellent performance in practice. However, kernel machines are still considered black-box models as the feature mapping is not directly accessible and difficult to interpret.The aim of this work is to show that it is indeed possible to interpret the functions learned by various kernel methods is intuitive despite their complexity. Specifically, we show that derivatives of these functions have a simple…
École Polytechnique Fédérale de Lausanne（洛桑联邦理工学院）
We investigate how the training curve of isotropic kernel methods depends on the symmetry of the task to be learned, in several settings. (i) We consider a regression task, where the target function is a Gaussian random field that depends only on $d_\parallel$ variables, fewer than the input dimension $d$. We compute the expected test error $ε$ that follows $ε\sim p^{-β}$ where $p$ is the size of the training set. We find that $β\sim 1/d$ independently of $d_\parallel$, supporting previous findings that the presence of invariants does not resolve the curse of dimensionality for kernel regressi…
State University of New York at Buffalo（纽约州立大学布法罗分校）
Learning with kernels is an important concept in machine learning. Standard approaches for kernel methods often use predefined kernels that require careful selection of hyperparameters. To mitigate this burden, we propose in this paper a framework to construct and learn a data-dependent kernel based on random features and implicit spectral distributions that are parameterized by deep neural networks. The constructed network (called KernelNet) can be applied to deep generative modeling in various scenarios, including two popular learning paradigms in deep generative models, MMD-GAN and implicit…
Modeling geophysical processes as low-dimensional dynamical systems and regressing their vector field from data is a promising approach for learning emulators of such systems. We show that when the kernel of these emulators is also learned from data (using kernel flows, a variant of cross-validation), then the resulting data-driven models are not only faster than equation-based models but are easier to train than neural networks such as the long short-term memory neural network. In addition, they are also more accurate and predictive than the latter. When trained on geophysical observational d…
Omnipresent Yet Overlooked: Heat Kernels in Combinatorial Bayesian Optimization
ETH Zürich（苏黎世联邦理工学院）；Secondmind；University of Cambridge（剑桥大学）；Tübingen AI Center（蒂宾根人工智能中心）；University of Edinburgh（爱丁堡大学）；Lancaster University（兰卡斯特大学）
Kernel-based tests provide a simple yet effective framework that use the theory of reproducing kernel Hilbert spaces to design non-parametric testing procedures. In this paper we propose new theoretical tools that can be used to study the asymptotic behaviour of kernel-based tests in several data scenarios, and in many different testing problems. Unlike current approaches, our methods avoid using lengthy $U$ and $V$ statistics expansions and limit theorems, that commonly appear in the literature, and works directly with random functionals on Hilbert spaces. Therefore, our framework leads to a …
We derive symmetric and antisymmetric kernels by symmetrizing and antisymmetrizing conventional kernels and analyze their properties. In particular, we compute the feature space dimensions of the resulting polynomial kernels, prove that the reproducing kernel Hilbert spaces induced by symmetric and antisymmetric Gaussian kernels are dense in the space of symmetric and antisymmetric functions, and propose a Slater determinant representation of the antisymmetric Gaussian kernel, which allows for an efficient evaluation even if the state space is high-dimensional. Furthermore, we show that by exp…
Nanjing University of Aeronautics and Astronautics（南京航空航天大学）；Imperial College London（帝国理工学院）；Zhejiang Zhelixin Credit Investigation Co., Ltd.（浙江浙里信征信有限公司）；Caltech（加州理工学院）；Johns Hopkins University（约翰斯·霍普金斯大学）
Regressing the vector field of a dynamical system from a finite number of observed states is a natural way to learn surrogate models for such systems. A simple and interpretable way to learn a dynamical system from data is to interpolate its vector-field with a data-adapted kernel which can be learned by using Kernel Flows. The method of Kernel Flows is a trainable machine learning method that learns the optimal parameters of a kernel based on the premise that a kernel is good if there is no significant loss in accuracy if half of the data is used. The objective function could be a short-term …
Neural Tangent Kernels and Fisher Information Matrices for Simple ReLU Networks with Random Hidden Weights
Faculty of Information Science and Electrical Engineering, Kyushu University（九州大学信息科学与电气工程学部）；Faculty of Science and Engineering, Waseda University（早稻田大学理工学部）；Faculty of Information Sciences, Hiroshima City University（广岛城大学信息科学学部）；Joint Graduate School of Math for Innovation, Kyushu University（九州大学创新数学研究生院）；The University of Electro-Communications（电子通信大学）
We present an algorithm for L1-norm kernel PCA and provide a convergence analysis for it. While an optimal solution of L2-norm kernel PCA can be obtained through matrix decomposition, finding that of L1-norm kernel PCA is not trivial due to its non-convexity and non-smoothness. We provide a novel reformulation through which an equivalent, geometrically interpretable problem is obtained. Based on the geometric interpretation of the reformulated problem, we present a fixed-point type algorithm that iteratively computes a binary weight for each observation. As the algorithm requires only inner pr…
Hyogo University of Health Sciences（兵库医疗大学）；Chiba University（千叶大学）
This study proposes multivariate kernel density estimation by stagewise minimization algorithm based on $U$-divergence and a simple dictionary. The dictionary consists of an appropriate scalar bandwidth matrix and a part of the original data. The resulting estimator brings us data-adaptive weighting parameters and bandwidth matrices, and realizes a sparse representation of kernel density estimation. We develop the non-asymptotic error bound of estimator obtained via the proposed stagewise minimization algorithm. It is confirmed from simulation studies that the proposed estimator performs compe…
Australian Artificial Intelligence Institute（澳大利亚人工智能研究所）；University of Technology Sydney（悉尼科技大学）；Google（谷歌）；University of Washington（华盛顿大学）；University of Maryland, College Park（马里兰大学帕克分校）
The Receptive Field (RF) size has been one of the most important factors for One Dimensional Convolutional Neural Networks (1D-CNNs) on time series classification tasks. Large efforts have been taken to choose the appropriate size because it has a huge influence on the performance and differs significantly for each dataset. In this paper, we propose an Omni-Scale block (OS-block) for 1D-CNNs, where the kernel sizes are decided by a simple and universal rule. Particularly, it is a set of kernel sizes that can efficiently cover the best RF size across different datasets via consisting of multipl…
Understanding Kernel Ridge Regression: Common behaviors from simple functions to density functionals
University of California, Irvine（加州大学欧文分校）；Technical University of Berlin（柏林工业大学）；Max Planck Institute of Microstructure Physics（马克斯·普朗克微结构物理研究所）；University of Basel（巴塞尔大学）；Korea University（高丽大学）
Swiss Finance Institute（瑞士金融学院）；EPFL（洛桑联邦理工学院）；Yale School of Management（耶鲁管理学院）；Yale University（耶鲁大学）
The recent discovery of the equivalence between infinitely wide neural networks (NNs) in the lazy training regime and Neural Tangent Kernels (NTKs) (Jacot et al., 2018) has revived interest in kernel methods. However, conventional wisdom suggests kernel methods are unsuitable for large samples due to their computational complexity and memory requirements. We introduce a novel random feature regression algorithm that allows us (when necessary) to scale to virtually infinite numbers of random features. We illustrate the performance of our method on the CIFAR-10 dataset.
Carnegie Mellon University（卡内基梅隆大学）；Bosch Center for AI（博世人工智能中心）
Neural networks with sinusoidal activations have been proposed as an alternative to networks with traditional activation functions. Despite their promise, particularly for learning implicit models, their training behavior is not yet fully understood, leading to a number of empirical design choices that are not well justified. In this work, we first propose a simplified version of such sinusoidal neural networks, which allows both for easier practical implementation and simpler theoretical analysis. We then analyze the behavior of these networks from the neural tangent kernel perspective and de…
Tsinghua University（清华大学）；Peng Cheng Laboratory（鹏城实验室）；Tencent AI LAB（腾讯人工智能实验室）
Kernels on discrete structures evaluate pairwise similarities between objects which capture semantics and inherent topology information. Existing kernels on discrete structures are only developed by topology information(such as adjacency matrix of graphs), without considering original attributes of objects. This paper proposes a two-phase paradigm to aggregate comprehensive information on discrete structures leading to a Discount Markov Diffusion Learnable Kernel (DMDLK). Specifically, based on the underlying projection of DMDLK, we design a Simple Hypergraph Kernel Convolution (SHKC) for hidd…
Characterizing compute kernel execution behavior on GPUs for efficient task scheduling is a non-trivial task. We address this with a simple model enabling portable and fast predictions among different GPUs using only hardware-independent features. This model is built based on random forests using 189 individual compute kernels from benchmarks such as Parboil, Rodinia, Polybench-GPU and SHOC. Evaluation of the model performance using cross-validation yields a median Mean Average Percentage Error (MAPE) of 8.86-52.00% and 1.84-2.94%, for time respectively power prediction across five different G…
Massachusetts Institute of Technology（麻省理工学院）；Broad Institute of MIT and Harvard（麻省理工学院-哈佛大学博德研究所）
Transfer learning refers to the process of adapting a model trained on a source task to a target task. While kernel methods are conceptually and computationally simple machine learning models that are competitive on a variety of tasks, it has been unclear how to perform transfer learning for kernel methods. In this work, we propose a transfer learning framework for kernel methods by projecting and translating the source model to the target task. We demonstrate the effectiveness of our framework in applications to image classification and virtual drug screening. In particular, we show that tran…
We demonstrate a simple connection between dictionary methods for time series classification, which involve extracting and counting symbolic patterns in time series, and methods based on transforming input time series using convolutional kernels, namely ROCKET and its variants. We show that by adjusting a single hyperparameter it is possible to move by degrees between models resembling dictionary methods and models resembling ROCKET. We present HYDRA, a simple, fast, and accurate dictionary method for time series classification using competing convolutional kernels, combining key aspects of bo…
Bosch Center for Artificial Intelligence（博世人工智能中心）；Robert Bosch Japan（日本罗伯特·博世公司）
Deep neural network is the widely applied technology in this decade. In spite of the fruitful applications, the mechanism behind that is still to be elucidated. We study the learning process with a very simple supervised learning encoding problem. As a result, we found a simple law, in the training response, which describes neural tangent kernel. The response consists of a power law like decay multiplied by a simple response kernel. We can construct a simple mean-field dynamical model with the law, which explains how the network learns. In the learning, the input space is split into sub-spaces…
Regressing the vector field of a dynamical system from a finite number of observed states is a natural way to learn surrogate models for such systems. We present variants of cross-validation (Kernel Flows \cite{Owhadi19} and its variants based on Maximum Mean Discrepancy and Lyapunov exponents) as simple approaches for learning the kernel used in these emulators.
