In this article, we propose an algorithm for aligning three-dimensional objects when represented as density maps, motivated by applications in cryogenic electron microscopy. The algorithm is based on minimizing the 1-Wasserstein distance between the density maps after a rigid transformation. The induced loss function enjoys a more benign landscape than its Euclidean counterpart and Bayesian optimization is employed for computation. Numerical experiments show improved accuracy and efficiency over existing algorithms on the alignment of real protein molecules. In the context of aligning heterogeneous pairs, we illustrate a potential need for new distance functions.

The assist-as-needed (AAN) controller is effective in robot-assisted rehabilitation. However, variations of the engagement of subjects with fixed controller often lead to unsatisfying results. Therefore, adaptive AAN that adjusts control parameters based on individualized engagement is essential to enhance the training effect further. Nevertheless, current approaches mainly focus on the within-trial real-time engagement estimation, and the presence of measurement noise may cause improper evaluation of engagement. In addition, most studies on human-in-loop optimization strategies modulate the controller by greedy strategies, which are prone to fall into local optima. These shortcomings in previous studies could significantly limit the efficacy of AAN. This paper proposes an adaptive AAN to promote engagement by providing subjects with a subject-adaptive assistance level based on trial-wise engagement estimation and performance. Firstly, the engagement is estimated from energy information, which assesses the work done by the subject during a full trial to reduce the influence of measurement outliers. Secondly, the AAN controller is adapted by Bayesian optimization (BO) to maximize the subject’s performance according to historical trial-wise performance. The BO algorithm is good at dealing with noisy signals within limited steps. Experiments with ten healthy subjects resulted in a decrease of 34.59$\%$ in their average trajectory error, accompanied by a reduction of 9.71$\%$ in their energy consumption, thus verifying the superiority of the proposed method to prior work. These results suggest that the proposed method could potentially improve the effect of upper limb rehabilitation.

We study a fully funded, collective defined contribution (DC) pension system with multiple overlapping generations. We investigate whether the welfare of participants can be improved by intergenerational risk sharing (IRS) implemented with a realistic investment strategy (e.g., no borrowing) and without an outside entity (e.g., shareholders) that helps finance the pension fund. To implement IRS, the pension system uses an automatic adjustment rule for the indexation of individual accounts, which adapts to the notional funding ratio of the pension system. The pension system has two parameters that determine the investment strategy and the strength of the adjustment rule, which are optimized by expected utility maximization using Bayesian optimization. The volatility of the retirement benefits and that of the funding ratio are analyzed, and it is shown that the trade-off between them can be controlled by the optimal adjustment parameter to attain IRS. Compared with the optimal individual DC benchmark using the life cycle strategy, the studied pension system with IRS is shown to improve the welfare of risk-averse participants, when the financial market is volatile.

The interaction of relativistically intense lasers with opaque targets represents a highly non-linear, multi-dimensional parameter space. This limits the utility of sequential 1D scanning of experimental parameters for the optimization of secondary radiation, although to-date this has been the accepted methodology due to low data acquisition rates. High repetition-rate (HRR) lasers augmented by machine learning present a valuable opportunity for efficient source optimization. Here, an automated, HRR-compatible system produced high-fidelity parameter scans, revealing the influence of laser intensity on target pre-heating and proton generation. A closed-loop Bayesian optimization of maximum proton energy, through control of the laser wavefront and target position, produced proton beams with equivalent maximum energy to manually optimized laser pulses but using only 60% of the laser energy. This demonstration of automated optimization of laser-driven proton beams is a crucial step towards deeper physical insight and the construction of future radiation sources.

The optimum parameters for the generation of synchrotron radiation in ultraintense laser pulse interactions with planar foils are investigated with the application of Bayesian optimization, via Gaussian process regression, to 2D particle-in-cell simulations. Individual properties of the synchrotron emission, such as the yield, are maximized, and simultaneous mitigation of bremsstrahlung emission is achieved with multi-variate objective functions. The angle-of-incidence of the laser pulse onto the target is shown to strongly influence the synchrotron yield and angular profile, with oblique incidence producing the optimal results. This is further explored in 3D simulations, in which additional control of the spatial profile of synchrotron emission is demonstrated by varying the polarization of the laser light. The results demonstrate the utility of applying a machine learning-based optimization approach and provide new insights into the physics of radiation generation in laser–foil interactions, which will inform the design of experiments in the quantum electrodynamics (QED)-plasma regime.

Bayesian optimization (BO) has been a successful approach to optimize expensive functions whose prior knowledge can be specified by means of a probabilistic model. Due to their expressiveness and tractable closed-form predictive distributions, Gaussian process (GP) surrogate models have been the default go-to choice when deriving BO frameworks. However, as nonparametric models, GPs offer very little in terms of interpretability and informative power when applied to model complex physical phenomena in scientific applications. In addition, the Gaussian assumption also limits the applicability of GPs to problems where the variables of interest may highly deviate from Gaussianity. In this article, we investigate an alternative modeling framework for BO which makes use of sequential Monte Carlo (SMC) to perform Bayesian inference with parametric models. We propose a BO algorithm to take advantage of SMC’s flexible posterior representations and provide methods to compensate for bias in the approximations and reduce particle degeneracy. Experimental results on simulated engineering applications in detecting water leaks and contaminant source localization are presented showing performance improvements over GP-based BO approaches.