Bayesian optimization has shown to be a fundamental global optimization algorithm in many applications: ranging from automatic machine learning, robotics, reinforcement learning, experimental design, simulations, etc. The most popular and effective Bayesian optimization relies on a surrogate model in the form of a Gaussian process due to its flexibility to represent a prior over function. However, many algorithms and setups relies on the stationarity assumption of the Gaussian process. In this paper, we present a novel nonstationary strategy for Bayesian optimization that is able to outperform the state of the art in Bayesian optimization both in stationary and nonstationary problems.

Joint peak detection is a central problem when comparing samples in genomic data analysis, but current algorithms for this task are unsupervised and limited to at most 2 sample types. We propose PeakSegJoint, a new constrained maximum likelihood segmentation model for any number of sample types. To select the number of peaks in the segmentation, we propose a supervised penalty learning model. To infer the parameters of these two models, we propose to use a discrete optimization heuristic for the segmentation, and convex optimization for the penalty learning. In comparisons with state-of-the-art peak detection algorithms, PeakSegJoint achieves similar accuracy, faster speeds, and a more interpretable model with overlapping peaks that occur in exactly the same positions across all samples.

We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during materials design and discovery to find good material designs in as few experiments as possible. We focus on the case when materials designs are parameterized by a low-dimensional vector. Bayesian optimization is built on a statistical technique called Gaussian process regression, which allows predicting the performance of a new design based on previously tested designs. After providing a detailed introduction to Gaussian process regression, we introduce two Bayesian optimization methods: expected improvement, for design problems with noise-free evaluations; and the knowledge-gradient method, which generalizes expected improvement and may be used in design problems with noisy evaluations. Both methods are derived using a value-of-information analysis, and enjoy one-step Bayes-optimality.

Modern classification problems frequently present mild to severe label imbalance as well as specific requirements on classification characteristics, and require optimizing performance measures that are non-decomposable over the dataset, such as F-measure. Such measures have spurred much interest and pose specific challenges to learning algorithms since their non-additive nature precludes a direct application of well-studied large scale optimization methods such as stochastic gradient descent. In this paper we reveal that for two large families of performance measures that can be expressed as functions of true positive/negative rates, it is indeed possible to implement point stochastic updates. The families we consider are concave and pseudo-linear functions of TPR, TNR which cover several popularly used performance measures such as F-measure, G-mean and H-mean. Our core contribution is an adaptive linearization scheme for these families, using which we develop optimization techniques that enable truly point-based stochastic updates. For concave performance measures we propose SPADE, a stochastic primal dual solver; for pseudo-linear measures we propose STAMP, a stochastic alternate maximization procedure. Both methods have crisp convergence guarantees, demonstrate significant speedups over existing methods - often by an order of magnitude or more, and give similar or more accurate predictions on test data.

Spectral Clustering as a relaxation of the normalized/ratio cut has become one of the standard graph-based clustering methods. Existing methods for the computation of multiple clusters, corresponding to a balanced $k$-cut of the graph, are either based on greedy techniques or heuristics which have weak connection to the original motivation of minimizing the normalized cut. In this paper we propose a new tight continuous relaxation for any balanced $k$-cut problem and show that a related recently proposed relaxation is in most cases loose leading to poor performance in practice. For the optimization of our tight continuous relaxation we propose a new algorithm for the difficult sum-of-ratios minimization problem which achieves monotonic descent. Extensive comparisons show that our method outperforms all existing approaches for ratio cut and other balanced $k$-cut criteria.

In this paper, we address the problem of reconstructing coverage maps from path-loss measurements in cellular networks. We propose and evaluate two kernel-based adaptive online algorithms as an alternative to typical offline methods. The proposed algorithms are application-tailored extensions of powerful iterative methods such as the adaptive projected subgradient method and a state-of-the-art adaptive multikernel method. Assuming that the moving trajectories of users are available, it is shown how side information can be incorporated in the algorithms to improve their convergence performance and the quality of the estimation. The complexity is significantly reduced by imposing sparsity-awareness in the sense that the algorithms exploit the compressibility of the measurement data to reduce the amount of data which is saved and processed. Finally, we present extensive simulations based on realistic data to show that our algorithms provide fast, robust estimates of coverage maps in real-world scenarios. Envisioned applications include path-loss prediction along trajectories of mobile users as a building block for anticipatory buffering or traffic offloading.

This short study investigates the convergence of the policy iteration (PI) as one of the schemes in implementation of adaptive/approximate dynamic programming (ADP), sometimes referred to by reinforcement learning (RL) or neuro-dynamic programming (NDP), [1]- [11]. Compared to its alternative, i.e., value iteration (VI), the PI calls for a higher computational load per iteration, due to a'full backup' as opposed to a'partial backup' in VI, [12]. However, the PI has the advantage that the control under evolution remains stabilizing [10], hence, it is more suitable for online implementation, i.e., adapting the control'on the fly'. The convergence analyses for PI with continuous state and control spaces and an undiscounted cost function are given in [10]. The results presented in this study however, are from a different viewpoint with different assumptions and lines of proofs. Moreover, interested readers are referred to the results from a simultaneous research (at least in terms of the availability of the results to the public) presented in [13], which are the closest to the first two theorems of this study.

We present Vector-Space Markov Random Fields (VS-MRFs), a novel class of undirected graphical models where each variable can belong to an arbitrary vector space. VS-MRFs generalize a recent line of work on scalar-valued, uni-parameter exponential family and mixed graphical models, thereby greatly broadening the class of exponential families available (e.g., allowing multinomial and Dirichlet distributions). Specifically, VS-MRFs are the joint graphical model distributions where the node-conditional distributions belong to generic exponential families with general vector space domains. We also present a sparsistent $M$-estimator for learning our class of MRFs that recovers the correct set of edges with high probability. We validate our approach via a set of synthetic data experiments as well as a real-world case study of over four million foods from the popular diet tracking app MyFitnessPal. Our results demonstrate that our algorithm performs well empirically and that VS-MRFs are capable of capturing and highlighting interesting structure in complex, real-world data. All code for our algorithm is open source and publicly available.

When can reliable inference be drawn in the "Big Data" context? This paper presents a framework for answering this fundamental question in the context of correlation mining, with implications for general large scale inference. In large scale data applications like genomics, connectomics, and eco-informatics the dataset is often variable-rich but sample-starved: a regime where the number $n$ of acquired samples (statistical replicates) is far fewer than the number $p$ of observed variables (genes, neurons, voxels, or chemical constituents). Much of recent work has focused on understanding the computational complexity of proposed methods for "Big Data." Sample complexity however has received relatively less attention, especially in the setting when the sample size $n$ is fixed, and the dimension $p$ grows without bound. To address this gap, we develop a unified statistical framework that explicitly quantifies the sample complexity of various inferential tasks. Sampling regimes can be divided into several categories: 1) the classical asymptotic regime where the variable dimension is fixed and the sample size goes to infinity; 2) the mixed asymptotic regime where both variable dimension and sample size go to infinity at comparable rates; 3) the purely high dimensional asymptotic regime where the variable dimension goes to infinity and the sample size is fixed. Each regime has its niche but only the latter regime applies to exa-scale data dimension. We illustrate this high dimensional framework for the problem of correlation mining, where it is the matrix of pairwise and partial correlations among the variables that are of interest. We demonstrate various regimes of correlation mining based on the unifying perspective of high dimensional learning rates and sample complexity for different structured covariance models and different inference tasks.

Mini-batch optimization has proven to be a powerful paradigm for large-scale learning. However, the state of the art parallel mini-batch algorithms assume synchronous operation or cyclic update orders. When worker nodes are heterogeneous (due to different computational capabilities or different communication delays), synchronous and cyclic operations are inefficient since they will leave workers idle waiting for the slower nodes to complete their computations. In this paper, we propose an asynchronous mini-batch algorithm for regularized stochastic optimization problems with smooth loss functions that eliminates idle waiting and allows workers to run at their maximal update rates. We show that by suitably choosing the step-size values, the algorithm achieves a rate of the order $O(1/\sqrt{T})$ for general convex regularization functions, and the rate $O(1/T)$ for strongly convex regularization functions, where $T$ is the number of iterations. In both cases, the impact of asynchrony on the convergence rate of our algorithm is asymptotically negligible, and a near-linear speedup in the number of workers can be expected. Theoretical results are confirmed in real implementations on a distributed computing infrastructure.