Estimating mutual information from i.i.d. samples drawn from an unknown joint density function is a basic statistical problem of broad interest with multitudinous applications. The most popular estimator is one proposed by Kraskov and St "ogbauer and Grassberger (KSG) in 2004, and is nonparametric and based on the distances of each sample to its @math nearest neighboring sample, where @math is a fixed small integer. Despite its widespread use (part of scientific software packages), theoretical properties of this estimator have been largely unexplored. In this paper we demonstrate that the estimator is consistent and also identify an upper bound on the rate of convergence of the bias as a function of number of samples. We argue that the superior performance benefits of the KSG estimator stems from a curious "correlation boosting" effect and build on this intuition to modify the KSG estimator in novel ways to construct a superior estimator. As a byproduct of our investigations, we obtain nearly tight rates of convergence of the @math error of the well known fixed @math nearest neighbor estimator of differential entropy by Kozachenko and Leonenko.
In some cases, the parametric rate of convergence of @math of @math error is achieved: of particular interest is the result of @cite_60 where the parametric rate is achieved for differential entropy estimation via KDE of density followed by the resubstitution estimator when the dimension is no more than 6. Numerical evidence suggests the hypothesis that the lower bounds derived in Theorem below could perhaps be improved when the dimension is more than 4 and estimators constrained to only use fixed @math -NN distances. Under certain very strong conditions on the density class (that are relevant in certain applications on graphical model selection @cite_55 ), exponential rate of convergence can be demonstrated @cite_66 @cite_33 . Recent works @cite_63 @cite_0 have studied the performance of the leave-one-out (LOO) approach where all but the sample of resubstitution are used for KDE, involving techniques such as von Mises expansion methods.
@cite_33 @cite_60 @cite_55 @cite_0 @cite_63 @cite_66
2000931246 2951744766 2097996627 2562674776 2117146852 2034171981 2592062427 1549918636 2962794482 2074208271 2116661435 2034177275 2291950750 2807660787 2101780216 2343345052 2950132609 2295465721 1716904016 2059725015
Let f be a random Boolean formula that is an instance of 3-SAT. We consider the problem of computing the least real number k such that if the ratio of the number of clauses over the number of variables of f strictly exceeds k , then f is almost certainly unsatisfiable. By a well-known and more or less straightforward argument, it can be shown that kF5.191. This upper bound was improved by to 4.758 by first providing new improved bounds for the occupancy problem. There is strong experimental evidence that the value of k is around 4.2. In this work, we define, in terms of the random formula f, a decreasing sequence of random variables such that, if the expected value of any one of them converges to zero, then f is almost certainly unsatisfiable. By letting the expected value of the first term of the sequence converge to zero, we obtain, by simple and elementary computations, an upper bound for k equal to 4.667. From the expected value of the second term of the sequence, we get the value 4.601q . In general, by letting the U This work was performed while the first author was visiting the School of Computer Science, Carleton Ž University, and was partially supported by NSERC Natural Sciences and Engineering Research Council . of Canada , and by a grant from the University of Patras for sabbatical leaves. The second and third Ž authors were supported in part by grants from NSERC Natural Sciences and Engineering Research . Council of Canada . During the last stages of this research, the first and last authors were also partially Ž . supported by EU ESPRIT Long-Term Research Project ALCOM-IT Project No. 20244 . †An extended abstract of this paper was published in the Proceedings of the Fourth Annual European Ž Symposium on Algorithms, ESA’96, September 25]27, 1996, Barcelona, Spain Springer-Verlag, LNCS, . pp. 27]38 . That extended abstract was coauthored by the first three authors of the present paper. Correspondence to: L. M. Kirousis Q 1998 John Wiley & Sons, Inc. CCC 1042-9832r98r030253-17 253 We derive the mean squared error convergence rates of kernel density-based plug-in estimators of mutual information measures between two multidimensional random variables @math and @math for two cases: 1) @math and @math are both continuous; 2) @math is continuous and @math is discrete. Using the derived rates, we propose an ensemble estimator of these information measures for the second case by taking a weighted sum of the plug-in estimators with varied bandwidths. The resulting ensemble estimator achieves the @math parametric convergence rate when the conditional densities of the continuous variables are sufficiently smooth. To the best of our knowledge, this is the first nonparametric mutual information estimator known to achieve the parametric convergence rate for this case, which frequently arises in applications (e.g. variable selection in classification). The estimator is simple to implement as it uses the solution to an offline convex optimization problem and simple plug-in estimators. A central limit theorem is also derived for the ensemble estimator. Ensemble estimators that achieve the parametric rate are also derived for the first case ( @math and @math are both continuous) and another case 3) @math and @math may have any mixture of discrete and continuous components. Many nonparametric regressors were recently shown to converge at rates that depend only on the intrinsic dimension of data. These regressors thus escape the curse of dimension when high-dimensional data has low intrinsic dimension (e.g. a manifold). We show that k-NN regression is also adaptive to intrinsic dimension. In particular our rates are local to a query x and depend only on the way masses of balls centered at x vary with radius. Furthermore, we show a simple way to choose k = k(x) locally at any x so as to nearly achieve the minimax rate at x in terms of the unknown intrinsic dimension in the vicinity of x. We also establish that the minimax rate does not depend on a particular choice of metric space or distribution, but rather that this minimax rate holds for any metric space and doubling measure. We consider in this paper the problem of sampling a high-dimensional probability distribution @math having a density with respect to the Lebesgue measure on @math , known up to a normalization constant @math . Such problem naturally occurs for example in Bayesian inference and machine learning. Under the assumption that @math is continuously differentiable, @math is globally Lipschitz and @math is strongly convex, we obtain non-asymptotic bounds for the convergence to stationarity in Wasserstein distance of order @math and total variation distance of the sampling method based on the Euler discretization of the Langevin stochastic differential equation, for both constant and decreasing step sizes. The dependence on the dimension of the state space of these bounds is explicit. The convergence of an appropriately weighted empirical measure is also investigated and bounds for the mean square error and exponential deviation inequality are reported for functions which are measurable and bounded. An illustration to Bayesian inference for binary regression is presented to support our claims. We analyze mixture density approximation and estimation. We form a convex set of density functions by taking the convex hull of a parametric family, e.g. mixtures of the Gaussian location family. A sequence of finite mixture densities is formulated to provide a parsimonious approximation for the target density. If the target density itself is in the convex hull, we show that the approximation error goes to zero with a rate of 1 k, where k is the number of components in the approximation. If the target density is outside of the convex hull, the approximation error is equal to the best achievable error plus a term that goes to zero with a rate of 1 k. A greedy algorithm that introduces one component at each step is shown to achieve such an error rate. Similarly, a greedy estimation algorithm is provided to find such approximation for data from an arbitrary density. This algorithm estimates one mixture component at one time. We prove that such an algorithm achieves a likelihood nearly as good as the MLE (maximum likelihood estimate) over the whole convex hull. And we identify the difference as being bounded by order O(1 k), where k is the number of components in the estimate. Risks of such estimators are shown to be bounded by a sum of approximation error and estimation error. The error terms are identified. An optimal choice of k can be derived by minimizing the risk bound. Acting as a similar role as the bandwidth in non-parainetric density estimation, k controls two error terms in opposite directions. A large k reduces approximation error and increases estimation error. A MDL (minimum description length) principle is derived to provide an estimation method for k. And the estimated k is shown to achieve the risk bound as if we know the best k in advance. A new information projection theory is derived to expand the approximating class to include its information closure. We prove the existence and uniqueness of a f* in the closure of the convex hull C (in a sense we identify), such that D ( fpf* ) = infg∈CD fpg , where Dfpg is the Kullback-Leibler divergence. And log(fk) → log(f*) in L1 (f) for any sequence fk in C with Dfpfk→ infg∈CD fpg. Other characterizing properties of f* are also given. This paper considers local convergence and rate of convergence results for algorithms for minimizing the composite functionF(x)=f(x)+h(c(x)) wheref andc are smooth buth(c) may be nonsmooth. Local convergence at a second order rate is established for the generalized Gauss—Newton method whenh is convex and globally Lipschitz and the minimizer is strongly unique. Local convergence at a second order rate is established for a generalized Newton method when the minimizer satisfies nondegeneracy, strict complementarity and second order sufficiency conditions. Assuming the minimizer satisfies these conditions, necessary and sufficient conditions for a superlinear rate of convergence for curvature approximating methods are established. Necessary and sufficient conditions for a two-step superlinear rate of convergence are also established when only reduced curvature information is available. All these local convergence and rate of convergence results are directly applicable to nonlinearing programming problems. In this paper we employ a parallel version of a randomized (block) coordinate descent method for minimizing the sum of a partially separable smooth convex function and a fully separable nonsmooth convex function. Under the assumption of Lipschitz continuity of the gradient of the smooth function, this method has a sublinear convergence rate. Linear convergence rate of the method is obtained for the newly introduced class of generalized error bound functions. We prove that the new class of generalized error bound functions encompasses both global local error bound functions and smooth strongly convex functions. We also show that the theoretical estimates on the convergence rate depend on the number of blocks chosen randomly and a natural measure of separability of the smooth component of the objective function. The formulation @math minx,yf(x)+g(y),subjecttoAx+By=b,where f and g are extended-value convex functions, arises in many application areas such as signal processing, imaging and image processing, statistics, and machine learning either naturally or after variable splitting. In many common problems, one of the two objective functions is strictly convex and has Lipschitz continuous gradient. On this kind of problem, a very effective approach is the alternating direction method of multipliers (ADM or ADMM), which solves a sequence of f g-decoupled subproblems. However, its effectiveness has not been matched by a provably fast rate of convergence; only sublinear rates such as O(1 k) and @math O(1 k2) were recently established in the literature, though the O(1 k) rates do not require strong convexity. This paper shows that global linear convergence can be guaranteed under the assumptions of strong convexity and Lipschitz gradient on one of the two functions, along with certain rank assumptions on A and B. The result applies to various generalizations of ADM that allow the subproblems to be solved faster and less exactly in certain manners. The derived rate of convergence also provides some theoretical guidance for optimizing the ADM parameters. In addition, this paper makes meaningful extensions to the existing global convergence theory of ADM generalizations. Sampling distribution over high-dimensional state-space is a problem which has recently attracted a lot of research efforts; applications include Bayesian non-parametrics, Bayesian inverse problems and aggregation of estimators. All these problems boil down to sample a target distribution @math having a density the Lebesgue measure on @math , known up to a normalisation factor @math where @math is continuously differentiable and smooth. In this paper, we study a sampling technique based on the Euler discretization of the Langevin stochastic differential equation. Contrary to the Metropolis Adjusted Langevin Algorithm (MALA), we do not apply a Metropolis-Hastings correction. We obtain for both constant and decreasing step sizes in the Euler discretization, non-asymptotic bounds for the convergence to stationarity in both total variation and Wasserstein distances. A particular attention is paid on the dependence on the dimension of the state space, to demonstrate the applicability of this method in the high dimensional setting, at least when @math is convex. These bounds are based on recently obtained estimates of the convergence of the Langevin diffusion to stationarity using Poincar 'e and log-Sobolev inequalities. These bounds improve and extend the results of (Dalalyan, 2014). We also investigate the convergence of an appropriately weighted empirical measure and we report sharp bounds for the mean square error and exponential deviation inequality for Lipschitz functions. A limited Monte Carlo experiment is carried out to support our findings. We present a framework for robustly estimating registration between a 3D volume image and a 2D projection image and evaluate its precision and robustness in spine interventions for vertebral localization in the presence of anatomical deformation. The framework employs a normalized gradient information similarity metric and multi-start covariance matrix adaptation evolution strategy optimization with local-restarts, which provided improved robustness against deformation and content mismatch. The parallelized implementation allowed orders-of-magnitude acceleration in computation time and improved the robustness of registration via multi-start global optimization. Experiments involved a cadaver specimen and two CT datasets (supine and prone) and 36 C-arm fluoroscopy images acquired with the specimen in four positions (supine, prone, supine with lordosis, prone with kyphosis), three regions (thoracic, abdominal, and lumbar), and three levels of geometric magnification (1.7, 2.0, 2.4). Registration accuracy was evaluated in terms of projection distance error (PDE) between the estimated and true target points in the projection image, including 14 400 random trials (200 trials on the 72 registration scenarios) with initialization error up to ±200 mm and ±10°. The resulting median PDE was better than 0.1 mm in all cases, depending somewhat on the resolution of input CT and fluoroscopy images. The cadaver experiments illustrated the tradeoff between robustness and computation time, yielding a success rate of 99.993 in vertebral labeling (with 'success' defined as PDE <5 mm) using 1,718 664 ± 96 582 function evaluations computed in 54.0 ± 3.5 s on a mid-range GPU (nVidia, GeForce GTX690). Parameters yielding a faster search (e.g., fewer multi-starts) reduced robustness under conditions of large deformation and poor initialization (99.535 success for the same data registered in 13.1 s), but given good initialization (e.g., ±5 mm, assuming a robust initial run) the same registration could be solved with 99.993 success in 6.3 s. The ability to register CT to fluoroscopy in a manner robust to patient deformation could be valuable in applications such as radiation therapy, interventional radiology, and an assistant to target localization (e.g., vertebral labeling) in image-guided spine surgery. A new coding problem is introduced for a correlated source (X sup n ,Y sup n ) sub n=1 sup spl infin . The observer of X sup n can transmit data depending on X sup n at a prescribed rate R. Based on these data the observer of Y sup n tries to identify whether for some distortion measure spl rho (like the Hamming distance) n sup -1 spl rho (X sup n ,Y sup n ) spl les d, a prescribed fidelity criterion. We investigate as functions of R and d the exponents of two error probabilities, the probabilities for misacceptance, and the probabilities for misrejection. In the case where X sup n and Y sup n are independent, we completely characterize the achievable region for the rate R and the exponents of two error probabilities; in the case where X sup n and Y sup n are correlated, we get some interesting partial results for the achievable region. During the process, we develop a new method for proving converses, which is called "the inherently typical subset lemma". This new method goes considerably beyond the "entropy characterization" the "image size characterization," and its extensions. It is conceivable that this new method has a strong impact on multiuser information theory. Let φ be a smooth function of k + 2 variables. We shall investigate in this paper the rates of convergence of estimators of T(f)= fφ(f(x), f'(x),..., f (k) (x), x) dx when f belongs to some class of densities of smoothness s. We prove that, when δ ≥ 2k + 1 4, one can define an estimator T n of T(f), based on n i.i.d. observations of density f on the real line, which converges at the semiparametric rate 1 √n. On the other hand, when s < 2k + 1 4, T(f) cannot be estimated at a rate faster than n -γ with γ = 4(s-k) [4s + 1]. We shall also provide some extensions to the multidimensional case. Those results extend previous works of Levit, of Bickel and Ritov and of Donoho and Nussbaum on estimation of quadratic functionals. In this paper we propose a distributed version of a randomized block-coordinate descent method for minimizing the sum of a partially separable smooth convex function and a fully separable non-smooth convex function. Under the assumption of block Lipschitz continuity of the gradient of the smooth function, this method is shown to have a sublinear convergence rate. Linear convergence rate of the method is obtained for the newly introduced class of generalized error bound functions. We prove that the new class of generalized error bound functions encompasses both global local error bound functions and smooth strongly convex functions. We also show that the theoretical estimates on the convergence rate depend on the number of blocks chosen randomly and a natural measure of separability of the objective function. Suppose an n x d design matrix in a linear regression problem is given, but the response for each point is hidden unless explicitly requested. The goal is to sample only a small number k << n of the responses, and then produce a weight vector whose sum of squares loss over all points is at most 1+epsilon times the minimum. When k is very small (e.g., k=d), jointly sampling diverse subsets of points is crucial. One such method called "volume sampling" has a unique and desirable property that the weight vector it produces is an unbiased estimate of the optimum. It is therefore natural to ask if this method offers the optimal unbiased estimate in terms of the number of responses k needed to achieve a 1+epsilon loss approximation. Surprisingly we show that volume sampling can have poor behavior when we require a very accurate approximation -- indeed worse than some i.i.d. sampling techniques whose estimates are biased, such as leverage score sampling. We then develop a new rescaled variant of volume sampling that produces an unbiased estimate which avoids this bad behavior and has at least as good a tail bound as leverage score sampling: sample size k=O(d log d + d epsilon) suffices to guarantee total loss at most 1+epsilon times the minimum with high probability. Thus, we improve on the best previously known sample size for an unbiased estimator, k=O(d^2 epsilon). Our rescaling procedure leads to a new efficient algorithm for volume sampling which is based on a "determinantal rejection sampling" technique with potentially broader applications to determinantal point processes. Other contributions include introducing the combinatorics needed for rescaled volume sampling and developing tail bounds for sums of dependent random matrices which arise in the process. In this paper, we study the estimation of the k-dimensional sparse principal sub-space of covariance matrix Σ in the high-dimensional setting. We aim to recover the oracle principal subspace solution, i.e., the principal subspace estimator obtained assuming the true support is known a priori. To this end, we propose a family of estimators based on the semidefinite relaxation of sparse PCA with novel regularizations. In particular, under a weak assumption on the magnitude of the population projection matrix, one estimator within this family exactly recovers the true support with high probability, has exact rank-k, and attains a √s n statistical rate of convergence with s being the subspace sparsity level and n the sample size. Compared to existing support recovery results for sparse PCA, our approach does not hinge on the spiked covariance model or the limited correlation condition. As a complement to the first estimator that enjoys the oracle property, we prove that, another estimator within the family achieves a sharper statistical rate of convergence than the standard semidefinite relaxation of sparse PCA, even when the previous assumption on the magnitude of the projection matrix is violated. We validate the theoretical results by numerical experiments on synthetic datasets. This paper concerns the worst-case complexity of Gauss-Seidel method for solving a positive semi-definite linear system; or equivalently, that of cyclic coordinate descent (C-CD) for minimizing a convex quadratic function. The known provable complexity of C-CD can be @math times slower than gradient descent (GD) and @math times slower than randomized coordinate descent (R-CD). However, these gaps seem rather puzzling since so far they have not been observed in practice; in fact, C-CD usually converges much faster than GD and sometimes comparable to R-CD. Thus some researchers believe the gaps are due to the weakness of the proof, but not that of the C-CD algorithm itself. In this paper we show that the gaps indeed exist. We prove that there exists an example for which C-CD takes at least @math or @math operations, where @math is the condition number, @math is a well-studied quantity that determines the convergence rate of R-CD, and @math hides the dependency on @math . This implies that C-CD can indeed be @math times slower than GD, and @math times slower than R-CD in the worst case. Our result establishes one of the few examples in continuous optimization that demonstrates a large gap between a deterministic algorithm and its randomized counterpart. Based on the example, we establish several almost tight complexity bounds of C-CD for quadratic problems. One difficulty with the analysis of the constructed example is that the spectral radius of a non-symmetric iteration matrix does not necessarily constitutes a lower bound for the convergence rate. We obtain an improved finite-sample guarantee on the linear convergence of stochastic gradient descent for smooth and strongly convex objectives, improving from a quadratic dependence on the conditioning @math (where @math is a bound on the smoothness and @math on the strong convexity) to a linear dependence on @math . Furthermore, we show how reweighting the sampling distribution (i.e. importance sampling) is necessary in order to further improve convergence, and obtain a linear dependence in the average smoothness, dominating previous results. We also discuss importance sampling for SGD more broadly and show how it can improve convergence also in other scenarios. Our results are based on a connection we make between SGD and the randomized Kaczmarz algorithm, which allows us to transfer ideas between the separate bodies of literature studying each of the two methods. In particular, we recast the randomized Kaczmarz algorithm as an instance of SGD, and apply our results to prove its exponential convergence, but to the solution of a weighted least squares problem rather than the original least squares problem. We then present a modified Kaczmarz algorithm with partially biased sampling which does converge to the original least squares solution with the same exponential convergence rate. Many data-fitting applications require the solution of an optimization problem involving a sum of large number of functions of high dimensional parameter. Here, we consider the problem of minimizing a sum of @math functions over a convex constraint set @math where both @math and @math are large. In such problems, sub-sampling as a way to reduce @math can offer great amount of computational efficiency. Within the context of second order methods, we first give quantitative local convergence results for variants of Newton's method where the Hessian is uniformly sub-sampled. Using random matrix concentration inequalities, one can sub-sample in a way that the curvature information is preserved. Using such sub-sampling strategy, we establish locally Q-linear and Q-superlinear convergence rates. We also give additional convergence results for when the sub-sampled Hessian is regularized by modifying its spectrum or Levenberg-type regularization. Finally, in addition to Hessian sub-sampling, we consider sub-sampling the gradient as way to further reduce the computational complexity per iteration. We use approximate matrix multiplication results from randomized numerical linear algebra (RandNLA) to obtain the proper sampling strategy and we establish locally R-linear convergence rates. In such a setting, we also show that a very aggressive sample size increase results in a R-superlinearly convergent algorithm. While the sample size depends on the condition number of the problem, our convergence rates are problem-independent, i.e., they do not depend on the quantities related to the problem. Hence, our analysis here can be used to complement the results of our basic framework from the companion paper, [38], by exploring algorithmic trade-offs that are important in practice. The Gaussian graphical model, a popular paradigm for studying relationship among variables in a wide range of applications, has attracted great attention in recent years. This paper considers a fundamental question: When is it possible to estimate low-dimensional parameters at parametric square-root rate in a large Gaussian graphical model? A novel regression approach is proposed to obtain asymptotically efficient estimation of each entry of a precision matrix under a sparseness condition relative to the sample size. When the precision matrix is not sufficiently sparse, or equivalently the sample size is not sufficiently large, a lower bound is established to show that it is no longer possible to achieve the parametric rate in the estimation of each entry. This lower bound result, which provides an answer to the delicate sample size question, is established with a novel construction of a subset of sparse precision matrices in an application of Le Cam's lemma. Moreover, the proposed estimator is proven to have optimal convergence rate when the parametric rate cannot be achieved, under a minimal sample requirement. The proposed estimator is applied to test the presence of an edge in the Gaussian graphical model or to recover the support of the entire model, to obtain adaptive rate-optimal estimation of the entire precision matrix as measured by the matrix @math operator norm and to make inference in latent variables in the graphical model. All of this is achieved under a sparsity condition on the precision matrix and a side condition on the range of its spectrum. This significantly relaxes the commonly imposed uniform signal strength condition on the precision matrix, irrepresentability condition on the Hessian tensor operator of the covariance matrix or the @math constraint on the precision matrix. Numerical results confirm our theoretical findings. The ROC curve of the proposed algorithm, Asymptotic Normal Thresholding (ANT), for support recovery significantly outperforms that of the popular GLasso algorithm. also with probability 1. This result is proved in ?5. The difficulty in proving lower bounds like (1.2) is that one has to consider all possible coverings of the path by small convex sets in the definition of 4-measure. In the past the only successful method has been to use the connection between Hausdorff measures and generalized capacities. The first result of this kind appears in [16] where it is proved that for k >2, the Hausdorff measure with respect to ta is infinite for all a 3 we obtain a "law of the iterated logarithm" for the total time Tk(a, co) spent by the path X in a sphere of radius a as a-* 0+. We also determine the local behavior of the first passage time Pk(a, co) out of a sphere of radius a for k > 1. In order to obtain the required asymptotic results we required good estimates of the distribution functions for the random variables Tk(a, co), Pk(a, c). We use the method developed by Mark Kac to compute these dis-