This paper investigates tradeoffs among optimization errors, statistical rates of convergence and the effect of heavy-tailed random errors for high-dimensional adaptive Huber regression with nonconvex regularization. When the additive errors in linear models have only bounded second moment, our results suggest that adaptive Huber regression with nonconvex regularization yields statistically optimal estimators that satisfy oracle properties as if the true underlying support set were known beforehand. Computationally, we need as many as O(log s + log log d) convex relaxations to reach such oracle estimators, where s and d denote the sparsity and ambient dimension, respectively. Numerical studies lend strong support to our methodology and theory.

When predictive models are used to support complex and important decisions, the ability to explain a model's reasoning can increase trust, expose hidden biases, and reduce vulnerability to adversarial attacks. However, attempts at interpreting models are often ad hoc and application-specific, and the concept of interpretability itself is not well-defined. We propose a general optimization framework to create explanations for linear models. Our methodology decomposes a linear model into a sequence of models of increasing complexity using coordinate updates on the coefficients. Computing this decomposition optimally is a difficult optimization problem for which we propose exact algorithms and scalable heuristics. By solving this problem, we can derive a parametrized family of interpretability metrics for linear models that generalizes typical proxies, and study the tradeoff between interpretability and predictive accuracy.

In this paper, we introduce a new approach to develop stochastic optimization algorithms for solving stochastic composite and possibly nonconvex optimization problems. The main idea is to combine two stochastic estimators to form a new hybrid one. We first introduce our hybrid estimator and then investigate its fundamental properties to form a foundation theory for algorithmic development. Next, we apply our theory to develop several variants of stochastic gradient methods to solve both expectation and finite-sum composite optimization problems. Our first algorithm can be viewed as a variant of proximal stochastic gradient methods with a single-loop, but can achieve $\mathcal{O}(\sigma^3\varepsilon^{-1} + \sigma\varepsilon^{-3})$ complexity bound that is significantly better than the $\mathcal{O}(\sigma^2\varepsilon^{-4})$-complexity in state-of-the-art stochastic gradient methods, where $\sigma$ is the variance and $\varepsilon$ is a desired accuracy. Then, we consider two different variants of our method: adaptive step-size and double-loop schemes that have the same theoretical guarantees as in our first algorithm. We also study two mini-batch variants and develop two hybrid SARAH-SVRG algorithms to solve the finite-sum problems. In all cases, we achieve the best-known complexity bounds under standard assumptions. We test our methods on several numerical examples with real datasets and compare them with state-of-the-arts. Our numerical experiments show that the new methods are comparable and, in many cases, outperform their competitors.

In this work, we propose a (linearized) Alternating Direction Method-of-Multipliers (ADMM) algorithm for minimizing a convex function subject to a nonconvex constraint. We focus on the special case where such constraint arises from the specification that a variable should lie in the range of a neural network. This is motivated by recent successful applications of Generative Adversarial Networks (GANs) in tasks like compressive sensing, denoising and robustness against adversarial examples. The derived rates for our algorithm are characterized in terms of certain geometric properties of the generator network, which we show hold for feedforward architectures, under mild assumptions. Unlike gradient descent (GD), it can efficiently handle non-smooth objectives as well as exploit efficient partial minimization procedures, thus being faster in many practical scenarios.

We propose two optimization techniques to minimize memory usage and computation while meeting system timing constraints for real-time classification in wearable systems. Our method derives a hierarchical classifier structure for Support Vector Machine (SVM) in order to reduce the amount of computations, based on the probability distribution of output classes occurrences. Also, we propose a memory optimization technique based on SVM parameters, which results in storing fewer support vectors and as a result requiring less memory. To demonstrate the efficiency of our proposed techniques, we performed an activity recognition experiment and were able to save up to 35% and 56% in memory storage when classifying 14 and 6 different activities, respectively. In addition, we demonstrated that there is a trade-off between accuracy of classification and memory savings, which can be controlled based on application requirements.

Materials design can be cast as an optimization problem with the goal of achieving desired properties, by varying material composition, microstructure morphology, and processing conditions. Existence of both qualitative and quantitative material design variables leads to disjointed regions in property space, making the search for optimal design challenging. Limited availability of experimental data and the high cost of simulations magnify the challenge. This situation calls for design methodologies that can extract useful information from existing data and guide the search for optimal designs efficiently. To this end, we present a data-centric, mixed-variable Bayesian Optimization framework that integrates data from literature, experiments, and simulations for knowledge discovery and computational materials design. Our framework pivots around the Latent Variable Gaussian Process (LVGP), a novel Gaussian Process technique which projects qualitative variables on a continuous latent space for covariance formulation, as the surrogate model to quantify "lack of data" uncertainty. Expected improvement, an acquisition criterion that balances exploration and exploitation, helps navigate a complex, nonlinear design space to locate the optimum design. The proposed framework is tested through a case study which seeks to concurrently identify the optimal composition and morphology for insulating polymer nanocomposites. We also present an extension of mixed-variable Bayesian Optimization for multiple objectives to identify the Pareto Frontier within tens of iterations. These findings project Bayesian Optimization as a powerful tool for design of engineered material systems.

We propose a unified framework to address a family of classical mixed-integer optimization problems, including network design, facility location, unit commitment, sparse portfolio selection, binary quadratic optimization and sparse learning problems. These problems exhibit logical relationships between continuous and discrete variables, which are usually reformulated linearly using a big-M formulation. In this work, we challenge this longstanding modeling practice and express the logical constraints in a non-linear way. By imposing a regularization condition, we reformulate these problems as convex binary optimization problems, which are solvable using an outer-approximation procedure. In numerical experiments, we establish that a general-purpose numerical strategy, which combines cutting-plane, first-order and local search methods, solves these problems faster and at a larger scale than state-of-the-art mixed-integer linear or second-order cone methods. Our approach successfully solves network design problems with 100s of nodes and provides solutions up to 40\% better than the state-of-the-art; sparse portfolio selection problems with up to 3,200 securities compared with 400 securities for previous attempts; and sparse regression problems with up to 100,000 covariates.

The Alternating Direction Method of Multipliers (ADMM) has now days gained tremendous attentions for solving large-scale machine learning and signal processing problems due to the relative simplicity. However, the two-block structure of the classical ADMM still limits the size of the real problems being solved. When one forces a more-than-two-block structure by variable-splitting, the convergence speed slows down greatly as observed in practice. Recently, a randomly assembled cyclic multi-block ADMM (RAC-MBADMM) was developed by the authors for solving general convex and nonconvex quadratic optimization problems where the number of blocks can go greater than two so that each sub-problem has a smaller size and can be solved much more efficiently. In this paper, we apply this method to solving few selected machine learning problems related to convex quadratic optimization, such as Linear Regression, LASSO, Elastic-Net, and SVM. We prove that the algorithm would converge in expectation linearly under the standard statistical data assumptions. We use our general-purpose solver to conduct multiple numerical tests, solving both synthetic and large-scale bench-mark problems. Our results show that RAC-MBADMM could significantly outperform, in both solution time and quality, other optimization algorithms/codes for solving these machine learning problems, and match up the performance of the best tailored methods such as Glmnet or LIBSVM. In certain problem regions RAC-MBADMM even achieves a superior performance than that of the tailored methods.

We present an alternate formulation of the partial assignment problem as matching random clique complexes, that are higher-order analogues of random graphs, designed to provide a set of invariants that better detect higher-order structure. The proposed method creates random clique adjacency matrices for each k-skeleton of the random clique complexes and matches them, taking into account each point as the affine combination of its geometric neighbourhood. We justify our solution theoretically, by analyzing the runtime and storage complexity of our algorithm along with the asymptotic behaviour of the quadratic assignment problem (QAP) that is associated with the underlying random clique adjacency matrices. Experiments on both synthetic and real-world datasets, containing severe occlusions and distortions, provide insight into the accuracy, efficiency, and robustness of our approach. We outperform diverse matching algorithms by a significant margin.

Kriging is an efficient machine-learning tool, which allows to obtain an approximate response of an investigated phenomenon on the whole parametric space. Adaptive schemes provide a the ability to guide the experiment yielding new sample point positions to enrich the metamodel. Herein a novel adaptive scheme called Monte Carlo-intersite Voronoi (MiVor) is proposed to efficiently identify binary decision regions on the basis of a regression surrogate model. The performance of the innovative approach is tested for analytical functions as well as some mechanical problems and is furthermore compared to two regression-based adaptive schemes. For smooth problems, all three methods have comparable performances. For highly fluctuating response surface as encountered e.g. for dynamics or damage problems, the innovative MiVor algorithm performs very well and provides accurate binary classification with only a few observation points.