Quantum annealing has been actively researched since D-Wave Systems produced the first commercial machine in 2011. Controlling a large fleet of automated guided vehicles is one of the real-world applications utilizing quantum annealing. In this study, we propose a formulation to control the traveling routes to minimize the travel time. We validate our formulation through simulation in a virtual plant and authenticate the effectiveness for faster distribution compared to a greedy algorithm that does not consider the overall detour distance. Furthermore, we utilize reverse annealing to maximize the advantage of the D-Wave's quantum annealer. Starting from relatively good solutions obtained by a fast greedy algorithm, reverse annealing searches for better solutions around them. Our reverse annealing method improves the performance compared to standard quantum annealing alone and performs up to 10 times faster than the strong classical solver, Gurobi. This study extends a use of optimization with general problem solvers in the application of multi-AGV systems and reveals the potential of reverse annealing as an optimizer.

Bayesian optimization (BO) has become an established framework and popular tool for hyperparameter optimization (HPO) of machine learning (ML) algorithms. While known for its sample-efficiency, vanilla BO can not utilize readily available prior beliefs the practitioner has on the potential location of the optimum. To address this issue, we propose πBO, an acquisition function generalization which incorporates prior beliefs about the location of the optimum in the form of a probability distribution, provided by the user. In contrast to previous approaches, πBO is conceptually simple and can easily be integrated with existing libraries and many acquisition functions. We provide regret bounds when πBO is applied to the common Expected Improvement acquisition function and prove convergence at regular rates independently of the prior. Further, our experiments show that πBO outperforms competing approaches across a wide suite of benchmarks and prior characteristics. We also demonstrate that πBO improves on the state-of-theart performance for a popular deep learning task, with a 12.5 time-to-accuracy speedup over prominent BO approaches. The optimization of expensive black-box functions is a prominent task, arising across a wide range of applications. Despite the demonstrated effectiveness of BO for HPO (Bergstra et al., 2011; Turner et al., 2021), its adoption among practitioners remains limited. In a survey covering NeurIPS 2019 and ICLR 2020 (Bouthillier & Varoquaux, 2020), manual search was shown to be the most prevalent tuning method, with BO accounting for less than 7% of all tuning efforts. As the understanding of hyperparameter settings in deep learning (DL) models increase (Smith, 2018), so too does the tuning proficiency of practitioners (Anand et al., 2020). As previously displayed (Smith, 2018; Anand et al., 2020; Souza et al., 2021; Wang et al., 2019), this knowledge manifests in choosing single configurations or regions of hyperparameters that presumably yield good results, demonstrating a belief over the location of the optimum. BO's deficit to properly incorporate said beliefs is a reason why practitioners prefer manual search to BO (Wang et al., 2019), despite its documented shortcomings (Bergstra & Bengio, 2012). To improve the usefulness of automated HPO approaches for ML practictioners, the ability to incorporate such knowledge is pivotal. Well-established BO frameworks (Snoek et al., 2012; Hutter et al., 2011; The GPyOpt authors, 2016; Kandasamy et al., 2020; Balandat et al., 2020) support user input to a limited extent, such as by biasing the initial design, or by narrowing the search space; however, this type of hard prior can lead to poor performance by missing important regions.

With mathematical optimization, companies can capture the key features of their business problems in an optimization model and can generate optimal solutions (which are used as the basis to make optimal decisions). Data scientists with some basic mathematical programming skills can easily learn how to build, implement, and maintain mathematical optimization applications. The Gurobi Python API borrows ideas from modeling languages, enabling users to deploy and solve mathematical optimization models with scripts that are easy to write, read, and maintain. Such modules can even be embedded in decision support systems for production-ready applications.

We propose a novel framework for learning a low-dimensional representation of data based on nonlinear dynamical systems, which we call dynamical dimension reduction (DDR). In the DDR model, each point is evolved via a nonlinear flow towards a lower-dimensional subspace; the projection onto the subspace gives the low-dimensional embedding. Training the model involves identifying the nonlinear flow and the subspace. Following the equation discovery method, we represent the vector field that defines the flow using a linear combination of dictionary elements, where each element is a pre-specified linear/nonlinear candidate function. A regularization term for the average total kinetic energy is also introduced and motivated by optimal transport theory. We prove that the resulting optimization problem is well-posed and establish several properties of the DDR method. We also show how the DDR method can be trained using a gradient-based optimization method, where the gradients are computed using the adjoint method from optimal control theory. The DDR method is implemented and compared on synthetic and example datasets to other dimension reductions methods, including PCA, t-SNE, and Umap.

Developing controllers for obstacle avoidance between polytopes is a challenging and necessary problem for navigation in tight spaces. Traditional approaches can only formulate the obstacle avoidance problem as an offline optimization problem. To address these challenges, we propose a duality-based safety-critical optimal control using nonsmooth control barrier functions for obstacle avoidance between polytopes, which can be solved in real-time with a QP-based optimization problem. A dual optimization problem is introduced to represent the minimum distance between polytopes and the Lagrangian function for the dual form is applied to construct a control barrier function. We validate the obstacle avoidance with the proposed dual formulation for L-shaped (sofa-shaped) controlled robot in a corridor environment. We demonstrate real-time tight obstacle avoidance with non-conservative maneuvers on a moving sofa (piano) problem with nonlinear dynamics.

We propose the AdaPtive Noise Augmentation (PANDA) procedure to regularize the estimation and inference of generalized linear models (GLMs). PANDA iteratively optimizes the objective function given noise augmented data until convergence to obtain the regularized model estimates. The augmented noises are designed to achieve various regularization effects, including $l_0$, bridge (lasso and ridge included), elastic net, adaptive lasso, and SCAD, as well as group lasso and fused ridge. We examine the tail bound of the noise-augmented loss function and establish the almost sure convergence of the noise-augmented loss function and its minimizer to the expected penalized loss function and its minimizer, respectively. We derive the asymptotic distributions for the regularized parameters, based on which, inferences can be obtained simultaneously with variable selection. PANDA exhibits ensemble learning behaviors that help further decrease the generalization error. Computationally, PANDA is easy to code, leveraging existing software for implementing GLMs, without resorting to complicated optimization techniques. We demonstrate the superior or similar performance of PANDA against the existing approaches of the same type of regularizers in simulated and real-life data. We show that the inferences through PANDA achieve nominal or near-nominal coverage and are far more efficient compared to a popular existing post-selection procedure.

One of the most important problems in system identification and statistics is how to estimate the unknown parameters of a given model. Optimization methods and specialized procedures, such as Empirical Minimization (EM) can be used in case the likelihood function can be computed. For situations where one can only simulate from a parametric model, but the likelihood is difficult or impossible to evaluate, a technique known as the Two-Stage (TS) Approach can be applied to obtain reliable parametric estimates. Unfortunately, there is currently a lack of theoretical justification for TS. In this paper, we propose a statistical decision-theoretical derivation of TS, which leads to Bayesian and Minimax estimators. We also show how to apply the TS approach on models for independent and identically distributed samples, by computing quantiles of the data as a first step, and using a linear function as the second stage. The proposed method is illustrated via numerical simulations.

Decentralized learning provides an effective framework to train machine learning models with data distributed over arbitrary communication graphs. However, most existing approaches toward decentralized learning disregard the interaction between data heterogeneity and graph topology. In this paper, we characterize the dependence of convergence on the relationship between the mixing weights of the graph and the data heterogeneity across nodes. We propose a metric that quantifies the ability of a graph to mix the current gradients. We further prove that the metric controls the convergence rate, particularly in settings where the heterogeneity across nodes dominates the stochasticity between updates for a given node. Motivated by our analysis, we propose an approach that periodically and efficiently optimizes the metric using standard convex constrained optimization and sketching techniques. Through comprehensive experiments on standard computer vision and NLP benchmarks, we show that our approach leads to improvement in test performance for a wide range of tasks.

Bridging logical and algorithmic reasoning with modern machine learning techniques is a fundamental challenge with potentially transformative impact. On the algorithmic side, many NP-hard problems can be expressed as integer programs, in which the constraints play the role of their "combinatorial specification." In this work, we aim to integrate integer programming solvers into neural network architectures as layers capable of learning both the cost terms and the constraints. The resulting end-to-end trainable architectures jointly extract features from raw data and solve a suitable (learned) combinatorial problem with state-of-the-art integer programming solvers. We demonstrate the potential of such layers with an extensive performance analysis on synthetic data and with a demonstration on a competitive computer vision keypoint matching benchmark.

We propose a simple modification to the iterative hard thresholding (IHT) algorithm, which recovers asymptotically sparser solutions as a function of the condition number. When aiming to minimize a convex function $f(x)$ with condition number $\kappa$ subject to $x$ being an $s$-sparse vector, the standard IHT guarantee is a solution with relaxed sparsity $O(s\kappa^2)$, while our proposed algorithm, regularized IHT, returns a solution with sparsity $O(s\kappa)$. Our algorithm significantly improves over ARHT which also finds a solution of sparsity $O(s\kappa)$, as it does not require re-optimization in each iteration (and so is much faster), is deterministic, and does not require knowledge of the optimal solution value $f(x^*)$ or the optimal sparsity level $s$. Our main technical tool is an adaptive regularization framework, in which the algorithm progressively learns the weights of an $\ell_2$ regularization term that will allow convergence to sparser solutions. We also apply this framework to low rank optimization, where we achieve a similar improvement of the best known condition number dependence from $\kappa^2$ to $\kappa$.