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Consider the sequential optimization of a continuous, possibly non-convex, and expensive to evaluate objective function $f$. The problem can be cast as a Gaussian Process (GP) bandit where $f$ lives in a reproducing kernel Hilbert space (RKHS). The state of the art analysis of several learning algorithms shows a significant gap between the lower and upper bounds on the simple regret performance. When $N$ is the number of exploration trials and $\gamma_N$ is the maximal information gain, we prove an $\tilde{\mathcal{O}}(\sqrt{\gamma_N/N})$ bound on the simple regret performance of a pure exploration algorithm that is significantly tighter than the existing bounds. We show that this bound is order optimal up to logarithmic factors for the cases where a lower bound on regret is known. To establish these results, we prove novel and sharp confidence intervals for GP models applicable to RKHS elements which may be of broader interest.

Non-negative matrix factorization (NMF) is a fundamental matrix decomposition technique that is used primarily for dimensionality reduction and is increasing in popularity in the biological domain. Although finding a unique NMF is generally not possible, there are various iterative algorithms for NMF optimization that converge to locally optimal solutions. Such techniques can also serve as a starting point for deep learning methods that unroll the algorithmic iterations into layers of a deep network. Here we develop unfolded deep networks for NMF and several regularized variants in both a supervised and an unsupervised setting. We apply our method to various mutation data sets to reconstruct their underlying mutational signatures and their exposures. We demonstrate the increased accuracy of our approach over standard formulations in analyzing simulated and real mutation data.

When approximating elliptic problems by using specialized approximation techniques, we obtain large structured matrices whose analysis provides information on the stability of the method. Here we provide spectral and norm estimates for matrix sequences arising from the approximation of the Laplacian via ad hoc finite differences. The analysis involves several tools from matrix theory and in particular from the setting of Toeplitz operators and Generalized Locally Toeplitz matrix sequences. Several numerical experiments are conducted, which confirm the correctness of the theoretical findings.

We consider the problem of communication efficient secure distributed matrix multiplication. The previous literature has focused on reducing the number of servers as a proxy for minimizing communication costs. The intuition being, that the more servers used, the higher the communication cost. We show that this is not the case. Our central technique relies on adapting results from the literature on repairing Reed-Solomon codes where instead of downloading the whole of the computing task, a user downloads field traces of these computations. We present field trace polynomial codes, a family of codes, that explore this technique and characterize regimes for which our codes outperform the existing codes in the literature.

Many numerical methods for evaluating matrix functions can be naturally viewed as computational graphs. Rephrasing these methods as directed acyclic graphs (DAGs) is a particularly effective approach to study existing techniques, improve them, and eventually derive new ones. The accuracy of these matrix techniques can be characterized by the accuracy of their scalar counterparts, thus designing algorithms for matrix functions can be regarded as a scalar-valued optimization problem. The derivatives needed during the optimization can be calculated automatically by exploiting the structure of the DAG, in a fashion analogous to backpropagation. This paper describes GraphMatFun.jl, a Julia package that offers the means to generate and manipulate computational graphs, optimize their coefficients, and generate Julia, MATLAB, and C code to evaluate them efficiently at a matrix argument. The software also provides tools to estimate the accuracy of a graph-based algorithm and thus obtain numerically reliable methods. For the exponential, for example, using a particular form (degree-optimal) of polynomials produces implementations that in many cases are cheaper, in terms of computational cost, than the Pad\'e-based techniques typically used in mathematical software. The optimized graphs and the corresponding generated code are available online.

We consider the problem of estimating high-dimensional covariance matrices of $K$-populations or classes in the setting where the samples sizes are comparable to the data dimension. We propose estimating each class covariance matrix as a distinct linear combination of all class sample covariance matrices. This approach is shown to reduce the estimation error when the sample sizes are limited, and the true class covariance matrices share a somewhat similar structure. We develop an effective method for estimating the coefficients in the linear combination that minimize the mean squared error under the general assumption that the samples are drawn from (unspecified) elliptically symmetric distributions possessing finite fourth-order moments. To this end, we utilize the spatial sign covariance matrix, which we show (under rather general conditions) to be an unbiased estimator of the normalized covariance matrix as the dimension grows to infinity. We also show how the proposed method can be used in choosing the regularization parameters for multiple target matrices in a single class covariance matrix estimation problem. We assess the proposed method via numerical simulation studies including an application in global minimum variance portfolio optimization using real stock data.

Deep learning-based image matching methods are improved significantly during the recent years. Although these methods are reported to outperform the classical techniques, the performance of the classical methods is not examined in detail. In this study, we compare classical and learning-based methods by employing mutual nearest neighbor search with ratio test and optimizing the ratio test threshold to achieve the best performance on two different performance metrics. After a fair comparison, the experimental results on HPatches dataset reveal that the performance gap between classical and learning-based methods is not that significant. Throughout the experiments, we demonstrated that SuperGlue is the state-of-the-art technique for the image matching problem on HPatches dataset. However, if a single parameter, namely ratio test threshold, is carefully optimized, a well-known traditional method SIFT performs quite close to SuperGlue and even outperforms in terms of mean matching accuracy (MMA) under 1 and 2 pixel thresholds. Moreover, a recent approach, DFM, which only uses pre-trained VGG features as descriptors and ratio test, is shown to outperform most of the well-trained learning-based methods. Therefore, we conclude that the parameters of any classical method should be analyzed carefully before comparing against a learning-based technique.

Similarity/Distance measures play a key role in many machine learning, pattern recognition, and data mining algorithms, which leads to the emergence of metric learning field. Many metric learning algorithms learn a global distance function from data that satisfy the constraints of the problem. However, in many real-world datasets that the discrimination power of features varies in the different regions of input space, a global metric is often unable to capture the complexity of the task. To address this challenge, local metric learning methods are proposed that learn multiple metrics across the different regions of input space. Some advantages of these methods are high flexibility and the ability to learn a nonlinear mapping but typically achieves at the expense of higher time requirement and overfitting problem. To overcome these challenges, this research presents an online multiple metric learning framework. Each metric in the proposed framework is composed of a global and a local component learned simultaneously. Adding a global component to a local metric efficiently reduce the problem of overfitting. The proposed framework is also scalable with both sample size and the dimension of input data. To the best of our knowledge, this is the first local online similarity/distance learning framework based on PA (Passive/Aggressive). In addition, for scalability with the dimension of input data, DRP (Dual Random Projection) is extended for local online learning in the present work. It enables our methods to be run efficiently on high-dimensional datasets, while maintains their predictive performance. The proposed framework provides a straightforward local extension to any global online similarity/distance learning algorithm based on PA.

This paper describes a suite of algorithms for constructing low-rank approximations of an input matrix from a random linear image of the matrix, called a sketch. These methods can preserve structural properties of the input matrix, such as positive-semidefiniteness, and they can produce approximations with a user-specified rank. The algorithms are simple, accurate, numerically stable, and provably correct. Moreover, each method is accompanied by an informative error bound that allows users to select parameters a priori to achieve a given approximation quality. These claims are supported by numerical experiments with real and synthetic data.

Robust estimation is much more challenging in high dimensions than it is in one dimension: Most techniques either lead to intractable optimization problems or estimators that can tolerate only a tiny fraction of errors. Recent work in theoretical computer science has shown that, in appropriate distributional models, it is possible to robustly estimate the mean and covariance with polynomial time algorithms that can tolerate a constant fraction of corruptions, independent of the dimension. However, the sample and time complexity of these algorithms is prohibitively large for high-dimensional applications. In this work, we address both of these issues by establishing sample complexity bounds that are optimal, up to logarithmic factors, as well as giving various refinements that allow the algorithms to tolerate a much larger fraction of corruptions. Finally, we show on both synthetic and real data that our algorithms have state-of-the-art performance and suddenly make high-dimensional robust estimation a realistic possibility.