Model-based control for robots has increasingly been dependent on optimization-based methods like Differential Dynamic Programming and iterative LQR (iLQR). These methods can form the basis of Model-Predictive Control (MPC), which is commonly used for controlling legged robots. Computing the partial derivatives of the dynamics is often the most expensive part of these algorithms, regardless of whether analytical methods, Finite Difference, Automatic Differentiation (AD), or Chain-Rule accumulation is used. Since the second-order derivatives of dynamics result in tensor computations, they are often ignored, leading to the use of iLQR, instead of the full second-order DDP method. In this paper, we present analytical methods to compute the second-order derivatives of inverse and forward dynamics for open-chain rigid-body systems with multi-DoF joints and fixed/floating bases. An extensive comparison of accuracy and run-time performance with AD and other methods is provided, including the consideration of code-generation techniques in C/C++ to speed up the computations. For the 36 DoF ATLAS humanoid, the second-order Inverse, and the Forward dynamics derivatives take approx 200 mu s, and approx 2.1 ms respectively, resulting in a 3x speedup over the AD approach.

A wide spectrum of design and decision problems, including parameter tuning, A/B testing and drug design, intrinsically are instances of black-box optimization. Bayesian optimization (BO) is a powerful tool that models and optimizes such expensive "black-box" functions. However, at the beginning of optimization, vanilla Bayesian optimization methods often suffer from slow convergence issue due to inaccurate modeling based on few trials. To address this issue, researchers in the BO community propose to incorporate the spirit of transfer learning to accelerate optimization process, which could borrow strength from the past tasks (source tasks) to accelerate the current optimization problem (target task). This survey paper first summarizes transfer learning methods for Bayesian optimization from four perspectives: initial points design, search space design, surrogate model, and acquisition function. Then it highlights its methodological aspects and technical details for each approach. Finally, it showcases a wide range of applications and proposes promising future directions.

With the continuous increment of maritime applications, the development of marine networks for data offloading becomes necessary. However, the limited maritime network resources are very difficult to satisfy real-time demands. Besides, how to effectively handle multiple compute-intensive tasks becomes another intractable issue. Hence, in this paper, we focus on the decision of maritime task offloading by the cooperation of unmanned aerial vehicles (UAVs) and vessels. Specifically, we first propose a cooperative offloading framework, including the demands from marine Internet of Things (MIoTs) devices and resource providers from UAVs and vessels. Due to the limited energy and computation ability of UAVs, it is necessary to help better apply the vessels to computation offloading. Then, we formulate the studied problem into a Markov decision process, aiming to minimize the total execution time and energy cost. Then, we leverage Lyapunov optimization to convert the long-term constraints of the total execution time and energy cost into their short-term constraints, further yielding a set of per-time-slot optimization problems. Furthermore, we propose a Q-learning based approach to solve the short-term problem efficiently. Finally, simulation results are conducted to verify the correctness and effectiveness of the proposed algorithm.

Despite all the benefits of automated hyperparameter optimization (HPO), most modern HPO algorithms are black-boxes themselves. This makes it difficult to understand the decision process which leads to the selected configuration, reduces trust in HPO, and thus hinders its broad adoption. Here, we study the combination of HPO with interpretable machine learning (IML) methods such as partial dependence plots. These techniques are more and more used to explain the marginal effect of hyperparameters on the black-box cost function or to quantify the importance of hyperparameters. However, if such methods are naively applied to the experimental data of the HPO process in a post-hoc manner, the underlying sampling bias of the optimizer can distort interpretations. We propose a modified HPO method which efficiently balances the search for the global optimum w.r.t. predictive performance \emph{and} the reliable estimation of IML explanations of an underlying black-box function by coupling Bayesian optimization and Bayesian Algorithm Execution. On benchmark cases of both synthetic objectives and HPO of a neural network, we demonstrate that our method returns more reliable explanations of the underlying black-box without a loss of optimization performance.

Cyber-physical systems (CPSs) are usually complex and safety-critical; hence, it is difficult and important to guarantee that the system's requirements, i.e., specifications, are fulfilled. Simulation-based falsification of CPSs is a practical testing method that can be used to raise confidence in the correctness of the system by only requiring that the system under test can be simulated. As each simulation is typically computationally intensive, an important step is to reduce the number of simulations needed to falsify a specification. We study Bayesian optimization (BO), a sample-efficient method that learns a surrogate model that describes the relationship between the parametrization of possible input signals and the evaluation of the specification. In this paper, we improve the falsification using BO by; first adopting two prominent BO methods, one fits local surrogate models, and the other exploits the user's prior knowledge. Secondly, the formulation of acquisition functions for falsification is addressed in this paper. Benchmark evaluation shows significant improvements in using local surrogate models of BO for falsifying benchmark examples that were previously hard to falsify. Using prior knowledge in the falsification process is shown to be particularly important when the simulation budget is limited. For some of the benchmark problems, the choice of acquisition function clearly affects the number of simulations needed for successful falsification.

Stochastic bilevel optimization, which captures the inherent nested structure of machine learning problems, is gaining popularity in many recent applications. Existing works on bilevel optimization mostly consider either unconstrained problems or constrained upper-level problems. This paper considers the stochastic bilevel optimization problems with equality constraints both in the upper and lower levels. By leveraging the special structure of the equality constraints problem, the paper first presents an alternating implicit projected SGD approach and establishes the $\tilde{\cal O}(\epsilon^{-2})$ sample complexity that matches the state-of-the-art complexity of ALSET \citep{chen2021closing} for unconstrained bilevel problems. To further save the cost of projection, the paper presents two alternating implicit projection-efficient SGD approaches, where one algorithm enjoys the $\tilde{\cal O}(\epsilon^{-2}/T)$ upper-level and $\tilde{\cal O}(\epsilon^{-1.5}/T^{\frac{3}{4}})$ lower-level projection complexity with ${\cal O}(T)$ lower-level batch size, and the other one enjoys $\tilde{\cal O}(\epsilon^{-1.5})$ upper-level and lower-level projection complexity with ${\cal O}(1)$ batch size. Application to federated bilevel optimization has been presented to showcase the empirical performance of our algorithms. Our results demonstrate that equality-constrained bilevel optimization with strongly-convex lower-level problems can be solved as efficiently as stochastic single-level optimization problems.

We propose a new \textit{quadratic programming-based} method of approximating a nonstandard density using a multivariate Gaussian density. Such nonstandard densities usually arise while developing posterior samplers for unobserved components models involving inequality constraints on the parameters. For instance, Chan et al. (2016) provided a new model of trend inflation with linear inequality constraints on the stochastic trend. We implemented the proposed quadratic programming-based method for this model and compared it to the existing approximation. We observed that the proposed method works as well as the existing approximation in terms of the final trend estimates while achieving gains in terms of sample efficiency.

Modern NLP systems exhibit a range of biases, which a growing literature on model debiasing attempts to correct. However current progress is hampered by a plurality of definitions of bias, means of quantification, and oftentimes vague relation between debiasing algorithms and theoretical measures of bias. This paper seeks to clarify the current situation and plot a course for meaningful progress in fair learning, with two key contributions: (1) making clear inter-relations among the current gamut of methods, and their relation to fairness theory; and (2) addressing the practical problem of model selection, which involves a trade-off between fairness and accuracy and has led to systemic issues in fairness research. Putting them together, we make several recommendations to help shape future work.

Human-in-the-loop optimization utilizes human expertise to guide machine optimizers iteratively and search for an optimal solution in a solution space. While prior empirical studies mainly investigated novices, we analyzed the impact of the levels of expertise on the outcome quality and corresponding subjective satisfaction. We conducted a study (N=60) in text, photo, and 3D mesh optimization contexts. We found that novices can achieve an expert level of quality performance, but participants with higher expertise led to more optimization iteration with more explicit preference while keeping satisfaction low. In contrast, novices were more easily satisfied and terminated faster. Therefore, we identified that experts seek more diverse outcomes while the machine reaches optimal results, and the observed behavior can be used as a performance indicator for human-in-the-loop system designers to improve underlying models. We inform future research to be cautious about the impact of user expertise when designing human-in-the-loop systems.

Financial experts and analysts seek to predict the variability of financial markets. In particular, the correct prediction of this variability ensures investors successful investments. However, there has been a big trend in finance in the last years, which are the ESG criteria. Concretely, ESG (Economic, Social and Governance) criteria have become more significant in finance due to the growing importance of investments being socially responsible, and because of the financial impact companies suffer when not complying with them. Consequently, creating a stock portfolio should not only take into account its performance but compliance with ESG criteria. Hence, this paper combines mathematical modelling, with ESG and finance. In more detail, we use Bayesian optimization (BO), a sequential state-of-the-art design strategy to optimize black-boxes with unknown analytical and costly-to compute expressions, to maximize the performance of a stock portfolio under the presence of ESG criteria soft constraints incorporated to the objective function. In an illustrative experiment, we use the Sharpe ratio, that takes into consideration the portfolio returns and its variance, in other words, it balances the trade-off between maximizing returns and minimizing risks. In the present work, ESG criteria have been divided into fourteen independent categories used in a linear combination to estimate a firm total ESG score. Most importantly, our presented approach would scale to alternative black-box methods of estimating the performance and ESG compliance of the stock portfolio. In particular, this research has opened the door to many new research lines, as it has proved that a portfolio can be optimized using a BO that takes into consideration financial performance and the accomplishment of ESG criteria.