Bayesian optimization (BO) protocol based on Active Learning (AL) principles has garnered significant attention due to its ability to optimize black-box objective functions efficiently. This capability is a prerequisite for guiding autonomous and high-throughput materials design and discovery processes. However, its application in materials science, particularly for novel alloy designs with multiple targeted properties, remains limited. This limitation is due to the computational complexity and the lack of reliable and robust acquisition functions for multiobjective optimization. In recent years, expected hypervolume-based geometrical acquisition functions have demonstrated superior performance and speed compared to other multiobjective optimization algorithms, such as Thompson Sampling Efficient Multiobjective Optimization (TSEMO), Pareto Efficient Global Optimization (parEGO), etc. This work compares several state-of-the-art multiobjective BO acquisition functions, i.e., parallel expected hypervolume improvement (qEHVI), noisy parallel expected hypervolume improvement (qNEHVI), parallel Pareto efficient global optimization (parEGO), and parallel noisy Pareto efficient global optimization (qNparEGO) for the multiobjective optimization of physical properties in multi-component alloys. We demonstrate the impressive performance of the qEHVI acquisition function in finding the optimum Pareto front in 1-, 2-, and 3-objective Aluminium alloy optimization problems within a limited evaluation budget and reasonable computational cost. In addition, we discuss the role of different surrogate model optimization methods from a computational cost and efficiency perspective.

Fiber metal laminates (FML) are of high interest for lightweight structures as they combine the advantageous material properties of metals and fiber-reinforced polymers. However, low-velocity impacts can lead to complex internal damage. Therefore, structural health monitoring with guided ultrasonic waves (GUW) is a methodology to identify such damage. Numerical simulations form the basis for corresponding investigations, but experimental validation of dispersion diagrams over a wide frequency range is hardly found in the literature. In this work the dispersive relation of GUWs is experimentally determined for an FML made of carbon fiber-reinforced polymer and steel. For this purpose, multi-frequency excitation signals are used to generate GUWs and the resulting wave field is measured via laser scanning vibrometry. The data are processed by means of a non-uniform discrete 2d Fourier transform and analyzed in the frequency-wavenumber domain. The experimental data are in excellent agreement with data from a numerical solution of the analytical framework. In conclusion, this work presents a highly automatable method to experimentally determine dispersion diagrams of GUWs in FML over large frequency ranges with high accuracy.

In this work, we present a novel approach for solving stochastic shape optimization problems. Our method is the extension of the classical stochastic gradient method to infinite-dimensional shape manifolds. We prove convergence of the method on Riemannian manifolds and then make the connection to shape spaces. The method is demonstrated on a model shape optimization problem from interface identification. Uncertainty arises in the form of a random partial differential equation, where underlying probability distributions of the random coefficients and inputs are assumed to be known. We verify some conditions for convergence for the model problem and demonstrate the method numerically.

Shape optimization is commonly applied in engineering to optimize shapes with respect to an objective functional relying on PDE solutions. In this paper, we view shape optimization as optimization on Riemannian shape manifolds. We consider so-called outer metrics on the diffeomorphism group to solve PDE-constrained shape optimization problems efficiently. Commonly, the numerical solution of such problems relies on the Riemannian version of the steepest descent method. One key difference between this version and the standard method is that iterates are updated via geodesics or retractions. Due to the lack of explicit expressions for geodesics, for most of the previously proposed metrics, very limited progress has been made in this direction. Leveraging the existence of explicit expressions for the geodesic equations associated to the outer metrics on the diffeomorphism group, we aim to study the viability of using such equations in the context of PDE-constrained shape optimization. However, solving geodesic equations is computationally challenging and often restrictive. Therefore, this paper discusses potential numerical approaches to simplify the numerical burden of using geodesics, making the proposed method computationally competitive with previously established methods.

To achieve a highly agile and flexible production, it is envisioned that industrial production systems gradually become more decentralized, interconnected, and intelligent. Within this vision, production assets collaborate with each other, exhibiting a high degree of autonomy. Furthermore, knowledge about individual production assets is readily available throughout their entire life-cycles. To realize this vision, adequate use of information technology is required. Two commonly applied software paradigms in this context are Software Agents (referred to as Agents) and Digital Twins (DTs). This work presents a systematic comparison of Agents and DTs in industrial applications. The goal of the study is to determine the differences, similarities, and potential synergies between the two paradigms. The comparison is based on the purposes for which Agents and DTs are applied, the properties and capabilities exhibited by these software paradigms, and how they can be allocated within the Reference Architecture Model Industry 4.0. The comparison reveals that Agents are commonly employed in the collaborative planning and execution of production processes, while DTs typically play a more passive role in monitoring production resources and processing information. Although these observations imply characteristic sets of capabilities and properties for both Agents and DTs, a clear and definitive distinction between the two paradigms cannot be made. Instead, the analysis indicates that production assets utilizing a combination of Agents and DTs would demonstrate high degrees of intelligence, autonomy, sociability, and fidelity. To achieve this, further standardization is required, particularly in the field of DTs.

In this paper, we study the use of outer metrics, in particular Sobolev-type metrics on the diffeomorphism group in the context of PDE-constrained shape optimization. Leveraging the structure of the diffeomorphism group we analyze the connection between the push-forward of a smooth function defined on the diffeomorphism group and the classical shape derivative as an Eulerian semi-derivative. We consider in particular, two predominant examples on PDE-constrained shape optimization. An electric impedance tomography inspired problem, and the optimization of a two-dimensional bridge. These problems are numerically solved using the Riemannian steepest descent method where the descent directions are taken to be the Riemannian gradients associated to various outer metrics. For comparison reasons, we also solve the problem using other previously proposed Riemannian metrics in particular the Steklov-Poincar\'e metric.

Diffeological spaces firstly introduced by J.M. Souriau in the 1980s are a natural generalization of smooth manifolds. However, optimization techniques are only known on manifolds so far. Generalizing these techniques to diffeological spaces is very challenging because of several reasons. One of the main reasons is that there are various definitions of tangent spaces which do not coincide. Additionally, one needs to deal with a generalization of a Riemannian space in order to define gradients which are indispensable for optimization methods. This paper is devoted to an optimization technique on diffeological spaces. Thus, one main aim of this paper is a suitable definition of a tangent space in view to optimization methods. Based on this definition, we present a diffeological Riemannian space and a diffeological gradient, which we need to formulate an optimization algorithm on diffeological spaces. Moreover, in order to be able to update the iterates in an optimization algorithm on diffeological spaces, we present a diffeological retraction and the Levi-Civita connection on diffeological spaces. We give examples for the novel objects and apply the presented diffeological algorithm to an optimization problem.

In response to the global shift towards renewable energy resources, the production of green hydrogen through electrolysis is emerging as a promising solution. Modular electrolysis plants, designed for flexibility and scalability, offer a dynamic response to the increasing demand for hydrogen while accommodating the fluctuations inherent in renewable energy sources. However, optimizing their operation is challenging, especially when a large number of electrolysis modules needs to be coordinated, each with potentially different characteristics. To address these challenges, this paper presents a decentralized scheduling model to optimize the operation of modular electrolysis plants using the Alternating Direction Method of Multipliers. The model aims to balance hydrogen production with fluctuating demand, to minimize the marginal Levelized Cost of Hydrogen (mLCOH), and to ensure adaptability to operational disturbances. A case study validates the accuracy of the model in calculating mLCOH values under nominal load conditions and demonstrates its responsiveness to dynamic changes, such as electrolyzer module malfunctions and scale-up scenarios.