In many fields of social and industrial sciences, simulation is crucial in comprehending a target system. A major task in simulation is the estimation of optimal parameters to express the observed data need to directly elucidate the properties of the target system as a modeling based on the expert's domain knowledge. However, skilled human experts struggle to obtain the desired parameters. Data assimilation therefore becomes an unavoidable task to reduce the cost of simulator optimization. Another necessary task is extrapolation; in many practical cases, predictions based on simulation results will be often outside of the dominant range of a given data area, and this is referred to as the covariate shift. This paper focuses on a regression problem with covariate shift. While the parameter estimation for the covariate shift has been studied thoroughly in parametric and nonparametric settings, conventional statistical methods of parameter searching are not applicable in the data assimilation of the simulation owing to the properties of the likelihood function: intractable or nondifferentiable. Hence, we propose a novel framework of Bayesian inference based on kernel mean embedding. This framework allows for predictions in covariate shift situations, and its effectiveness is evaluated in both synthetic numerical experiments and a widely used production simulator reproducing real-world manufacturing factories.
Kernel mean embedding is a framework to map distributions into a reproducing kernel Hilbert space (RKHS) @math as a feature space @cite_7 . Figure shows a schematic illustration of the kernel mean embedding. In this section, we briefly review three applications of kernel mean embedding: kernel ABC, kernel sum rule, and kernel herding. The detailed formulations of these methods are described in with the proposed method.
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A Hilbert space embedding of a distribution---in short, a kernel mean embedding---has recently emerged as a powerful tool for machine learning and inference. The basic idea behind this framework is to map distributions into a reproducing kernel Hilbert space (RKHS) in which the whole arsenal of kernel methods can be extended to probability measures. It can be viewed as a generalization of the original "feature map" common to support vector machines (SVMs) and other kernel methods. While initially closely associated with the latter, it has meanwhile found application in fields ranging from kernel machines and probabilistic modeling to statistical inference, causal discovery, and deep learning. The goal of this survey is to give a comprehensive review of existing work and recent advances in this research area, and to discuss the most challenging issues and open problems that could lead to new research directions. The survey begins with a brief introduction to the RKHS and positive definite kernels which forms the backbone of this survey, followed by a thorough discussion of the Hilbert space embedding of marginal distributions, theoretical guarantees, and a review of its applications. The embedding of distributions enables us to apply RKHS methods to probability measures which prompts a wide range of applications such as kernel two-sample testing, independent testing, and learning on distributional data. Next, we discuss the Hilbert space embedding for conditional distributions, give theoretical insights, and review some applications. The conditional mean embedding enables us to perform sum, product, and Bayes' rules---which are ubiquitous in graphical model, probabilistic inference, and reinforcement learning---in a non-parametric way. We then discuss relationships between this framework and other related areas. Lastly, we give some suggestions on future research directions. A Hilbert space embedding for probability measures has recently been proposed, with applications including dimensionality reduction, homogeneity testing, and independence testing. This embedding represents any probability measure as a mean element in a reproducing kernel Hilbert space (RKHS). A pseudometric on the space of probability measures can be defined as the distance between distribution embeddings: we denote this as γk, indexed by the kernel function k that defines the inner product in the RKHS. We present three theoretical properties of γk. First, we consider the question of determining the conditions on the kernel k for which γk is a metric: such k are denoted characteristic kernels. Unlike pseudometrics, a metric is zero only when two distributions coincide, thus ensuring the RKHS embedding maps all distributions uniquely (i.e., the embedding is injective). While previously published conditions may apply only in restricted circumstances (e.g., on compact domains), and are difficult to check, our conditions are straightforward and intuitive: integrally strictly positive definite kernels are characteristic. Alternatively, if a bounded continuous kernel is translation-invariant on ℜd, then it is characteristic if and only if the support of its Fourier transform is the entire ℜd. Second, we show that the distance between distributions under γk results from an interplay between the properties of the kernel and the distributions, by demonstrating that distributions are close in the embedding space when their differences occur at higher frequencies. Third, to understand the nature of the topology induced by γk, we relate γk to other popular metrics on probability measures, and present conditions on the kernel k under which γk metrizes the weak topology. A nonparametric kernel-based method for realizing Bayes' rule is proposed, based on representations of probabilities in reproducing kernel Hilbert spaces. Probabilities are uniquely characterized by the mean of the canonical map to the RKHS. The prior and conditional probabilities are expressed in terms of RKHS functions of an empirical sample: no explicit parametric model is needed for these quantities. The posterior is likewise an RKHS mean of a weighted sample. The estimator for the expectation of a function of the posterior is derived, and rates of consistency are shown. Some representative applications of the kernel Bayes' rule are presented, including Baysian computation without likelihood and filtering with a nonparametric state-space model. The original mean shift algorithm [1] on Euclidean spaces (MS) was extended in [2] to operate on general Riemannian manifolds. This extension is extrinsic (Ext-MS) since the mode seeking is performed on the tangent spaces [3], where the underlying curvature is not fully considered (tangent spaces are only valid in a small neighborhood). In [3] was proposed an intrinsic mean shift designed to operate on two particular Riemannian manifolds (IntGS-MS), i.e. Grassmann and Stiefel manifolds (using manifold-dedicated density kernels). It is then natural to ask whether mean shift could be intrinsically extended to work on a large class of manifolds. We propose a novel paradigm to intrinsically reformulate the mean shift on general Riemannian manifolds. This is accomplished by embedding the Riemannian manifold into a Reproducing Kernel Hilbert Space (RKHS) by using a general and mathematically well-founded Riemannian kernel function, i.e. heat kernel [5]. The key issue is that when the data is implicitly mapped to the Hilbert space, the curvature of the manifold is taken into account (i.e. exploits the underlying information of the data). The inherent optimization is then performed on the embedded space. Theoretic analysis and experimental results demonstrate the promise and effectiveness of this novel paradigm. This paper presents a kernel-based discriminative learning framework on probability measures. Rather than relying on large collections of vectorial training examples, our framework learns using a collection of probability distributions that have been constructed to meaningfully represent training data. By representing these probability distributions as mean embeddings in the reproducing kernel Hilbert space (RKHS), we are able to apply many standard kernel-based learning techniques in straightforward fashion. To accomplish this, we construct a generalization of the support vector machine (SVM) called a support measure machine (SMM). Our analyses of SMMs provides several insights into their relationship to traditional SVMs. Based on such insights, we propose a flexible SVM (Flex-SVM) that places different kernel functions on each training example. Experimental results on both synthetic and real-world data demonstrate the effectiveness of our proposed framework. Given samples from distributions p and q, a two-sample test determines whether to reject the null hypothesis that p = q, based on the value of a test statistic measuring the distance between the samples. One choice of test statistic is the maximum mean discrepancy (MMD), which is a distance between embeddings of the probability distributions in a reproducing kernel Hilbert space. The kernel used in obtaining these embeddings is critical in ensuring the test has high power, and correctly distinguishes unlike distributions with high probability. A means of parameter selection for the two-sample test based on the MMD is proposed. For a given test level (an upper bound on the probability of making a Type I error), the kernel is chosen so as to maximize the test power, and minimize the probability of making a Type II error. The test statistic, test threshold, and optimization over the kernel parameters are obtained with cost linear in the sample size. These properties make the kernel selection and test procedures suited to data streams, where the observations cannot all be stored in memory. In experiments, the new kernel selection approach yields a more powerful test than earlier kernel selection heuristics. Recent studies reveal that a deep neural network can learn transferable features which generalize well to novel tasks for domain adaptation. However, as deep features eventually transition from general to specific along the network, the feature transferability drops significantly in higher layers with increasing domain discrepancy. Hence, it is important to formally reduce the dataset bias and enhance the transferability in task-specific layers. In this paper, we propose a new Deep Adaptation Network (DAN) architecture, which generalizes deep convolutional neural network to the domain adaptation scenario. In DAN, hidden representations of all task-specific layers are embedded in a reproducing kernel Hilbert space where the mean embeddings of different domain distributions can be explicitly matched. The domain discrepancy is further reduced using an optimal multi-kernel selection method for mean embedding matching. DAN can learn transferable features with statistical guarantees, and can scale linearly by unbiased estimate of kernel embedding. Extensive empirical evidence shows that the proposed architecture yields state-of-the-art image classification error rates on standard domain adaptation benchmarks. Nonparametric detection of existence of an anomalous disk over a lattice network is investigated. If an anomalous disk exists, then all nodes belonging to the disk observe samples generated by a distribution q, whereas all other nodes observe samples generated by a distribution p that is distinct from q. If there does not exist an anomalous disk, then all nodes receive samples generated by p. The distributions p and q are arbitrary and unknown. The goal is to design statistically consistent test as the network size becomes asymptotically large. A kernel-based test is proposed based on maximum mean discrepancy (MMD) which measures the distance between mean embeddings of distributions into a reproducing kernel Hilbert space (RKHS). A sufficient condition on the minimum size of candidate anomalous disks is characterized in order to guarantee the consistency of the proposed test. A necessary condition that any universally consistent test must satisfy is further derived. Comparison of sufficient and necessary conditions yields that the proposed test is order-level optimal. Predictive State Representations (PSRs) are an expressive class of models for controlled stochastic processes. PSRs represent state as a set of predictions of future observable events. Because PSRs are defined entirely in terms of observable data, statistically consistent estimates of PSR parameters can be learned efficiently by manipulating moments of observed training data. Most learning algorithms for PSRs have assumed that actions and observations are finite with low cardinality. In this paper, we generalize PSRs to infinite sets of observations and actions, using the recent concept of Hilbert space embeddings of distributions. The essence is to represent the state as a nonparametric conditional embedding operator in a Reproducing Kernel Hilbert Space (RKHS) and leverage recent work in kernel methods to estimate, predict, and update the representation. We show that these Hilbert space embeddings of PSRs are able to gracefully handle continuous actions and observations, and that our learned models outperform competing system identification algorithms on several prediction benchmarks. Domain transfer learning generalizes a learning model across training data and testing data with different distributions. A general principle to tackle this problem is reducing the distribution difference between training data and testing data such that the generalization error can be bounded. Current methods typically model the sample distributions in input feature space, which depends on nonlinear feature mapping to embody the distribution discrepancy. However, this nonlinear feature space may not be optimal for the kernel-based learning machines. To this end, we propose a transfer kernel learning (TKL) approach to learn a domain-invariant kernel by directly matching source and target distributions in the reproducing kernel Hilbert space (RKHS). Specifically, we design a family of spectral kernels by extrapolating target eigensystem on source samples with Mercer’s theorem. The spectral kernel minimizing the approximation error to the ground truth kernel is selected to construct domain-invariant kernel machines. Comprehensive experimental evidence on a large number of text categorization, image classification, and video event recognition datasets verifies the effectiveness and efficiency of the proposed TKL approach over several state-of-the-art methods. Recent studies reveal that a deep neural network can learn transferable features which generalize well to novel tasks for domain adaptation. However, as deep features eventually transition from general to specific along the network, the feature transferability drops significantly in higher layers with increasing domain discrepancy. Hence, it is important to formally reduce the dataset bias and enhance the transferability in task-specific layers. In this paper, we propose a new Deep Adaptation Network (DAN) architecture, which generalizes deep convolutional neural network to the domain adaptation scenario. In DAN, hidden representations of all task-specific layers are embedded in a reproducing kernel Hilbert space where the mean embeddings of different domain distributions can be explicitly matched. The domain discrepancy is further reduced using an optimal multikernel selection method for mean embedding matching. DAN can learn transferable features with statistical guarantees, and can scale linearly by unbiased estimate of kernel embedding. Extensive empirical evidence shows that the proposed architecture yields state-of-the-art image classification error rates on standard domain adaptation benchmarks. The covering number of a ball of a reproducing kernel Hilbert space as a subset of the continuous function space plays an important role in Learning Theory. We give estimates for this covering number by means of the regularity of the Mercer kernel K. For convolution type kernels K(x, t) = k(x - t) on [0, 1]n, we provide estimates depending on the decay of k, the Fourier transform of k. In particular, when k decays exponentially, our estimate for this covering number is better than all the previous results and covers many important Mercer kernels. A counter example is presented to show that the eigenfunctions of the Hilbert-Schmidt operator LK associated with a Mercer kernel K may not be uniformly bounded. Hence some previous methods used for estimating the covering number in Learning Theory are not valid. We also provide an example of a Mercer kernel to show that LK½ may not be generated by a Mercer kernel. 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 learning a linear subspace in a reproducing kernel Hilbert space (RKHS). We show that our method achieves reasonably competitive performance for image classification on some standard " deep learning " datasets such as CIFAR-10 and SVHN, and also for image super-resolution, demonstrating the applicability of our approach to a large variety of image-related tasks. This paper deals with functional regression, in which the input attributes as well as the response are functions. To deal with this problem, we develop a functional reproducing kernel Hilbert space approach; here, a kernel is an operator acting on a function and yielding a function. We demonstrate basic properties of these functional RKHS, as well as a representer theorem for this setting; we investigate the construction of kernels; we provide some experimental insight. This paper is an attempt to bridge the conceptual gaps between researchers working on the two widely used approaches based on positive definite kernels: Bayesian learning or inference using Gaussian processes on the one side, and frequentist kernel methods based on reproducing kernel Hilbert spaces on the other. It is widely known in machine learning that these two formalisms are closely related; for instance, the estimator of kernel ridge regression is identical to the posterior mean of Gaussian process regression. However, they have been studied and developed almost independently by two essentially separate communities, and this makes it difficult to seamlessly transfer results between them. Our aim is to overcome this potential difficulty. To this end, we review several old and new results and concepts from either side, and juxtapose algorithmic quantities from each framework to highlight close similarities. We also provide discussions on subtle philosophical and theoretical differences between the two approaches. Kernel classifiers and regressors designed for structured data, such as sequences, trees and graphs, have significantly advanced a number of interdisciplinary areas such as computational biology and drug design. Typically, kernels are designed beforehand for a data type which either exploit statistics of the structures or make use of probabilistic generative models, and then a discriminative classifier is learned based on the kernels via convex optimization. However, such an elegant two-stage approach also limited kernel methods from scaling up to millions of data points, and exploiting discriminative information to learn feature representations. We propose, structure2vec, an effective and scalable approach for structured data representation based on the idea of embedding latent variable models into feature spaces, and learning such feature spaces using discriminative information. Interestingly, structure2vec extracts features by performing a sequence of function mappings in a way similar to graphical model inference procedures, such as mean field and belief propagation. In applications involving millions of data points, we showed that structure2vec runs 2 times faster, produces models which are @math times smaller, while at the same time achieving the state-of-the-art predictive performance. Sketching is a powerful dimensionality reduction tool for accelerating statistical learning algorithms. However, its applicability has been limited to a certain extent since the crucial ingredient, the so-called oblivious subspace embedding, can only be applied to data spaces with an explicit representation as the column span or row span of a matrix, while in many settings learning is done in a high-dimensional space implicitly defined by the data matrix via a kernel transformation. We propose the first fast oblivious subspace embeddings that are able to embed a space induced by a non-linear kernel without explicitly mapping the data to the high-dimensional space. In particular, we propose an embedding for mappings induced by the polynomial kernel. Using the subspace embeddings, we obtain the fastest known algorithms for computing an implicit low rank approximation of the higher-dimension mapping of the data matrix, and for computing an approximate kernel PCA of the data, as well as doing approximate kernel principal component regression. Recently, the Frank-Wolfe optimization algorithm was suggested as a procedure to obtain adaptive quadrature rules for integrals of functions in a reproducing kernel Hilbert space (RKHS) with a potentially faster rate of convergence than Monte Carlo integration (and "kernel herding" was shown to be a special case of this procedure). In this paper, we propose to replace the random sampling step in a particle filter by Frank-Wolfe optimization. By optimizing the position of the particles, we can obtain better accuracy than random or quasi-Monte Carlo sampling. In applications where the evaluation of the emission probabilities is expensive (such as in robot localization), the additional computational cost to generate the particles through optimization can be justified. Experiments on standard synthetic examples as well as on a robot localization task indicate indeed an improvement of accuracy over random and quasi-Monte Carlo sampling. We propose two statistical tests to determine if two samples are from different distributions. Our test statistic is in both cases the distance between the means of the two samples mapped into a reproducing kernel Hilbert space (RKHS). The first test is based on a large deviation bound for the test statistic, while the second is based on the asymptotic distribution of this statistic. The test statistic can be computed in O(m2) time. We apply our approach to a variety of problems, including attribute matching for databases using the Hungarian marriage method, where our test performs strongly. We also demonstrate excellent performance when comparing distributions over graphs, for which no alternative tests currently exist. We introduce kernel nonparametric tests for Lancaster three-variable interaction and for total independence, using embeddings of signed measures into a reproducing kernel Hilbert space. The resulting test statistics are straightforward to compute, and are used in powerful interaction tests, which are consistent against all alternatives for a large family of reproducing kernels. We show the Lancaster test to be sensitive to cases where two independent causes individually have weak influence on a third dependent variable, but their combined effect has a strong influence. This makes the Lancaster test especially suited to finding structure in directed graphical models, where it outperforms competing nonparametric tests in detecting such V-structures.