GAMM Mitteilungen最新文献

Selective laser sintering (SLS) of polymers represents a widely used additive manufacturing process, where the part quality depends highly on the present thermal conditions. One distinct feature of SLS is the existence of separate temperature regions for melting and crystallization (solidification) and that the process optimally operates within said regions. Typically a crystallization model, such as the Nakamura model, is used to predict the degree of crystallization as a function of temperature and time. One limitation of this model is the inability to compute negative rates of the crystallization degree during remelting. As we will show in this work, such an extension is necessary, considering the varying temperature fields appearing in SLS. To this end, an extension is proposed and analyzed in detail. Furthermore, a dependency of the temperature and crystallization fields on the size of geometrical features is presented.

Understanding structure–property (SP) relationships is essential for accelerating materials innovation. Still being in the state of ongoing research and development, this is especially true for additive manufacturing (AM) in which process-induced imperfections like pores and microstructural variations significantly influence the material's properties. That is why, the present work aims at proposing an approach for accessing pore SP relationships for AM materials. For this purpose, crystal plasticity (CP) simulations on reconstructed domains based on experimental measurements are employed to allow for a microstructure-sensitive investigation. For the considered Ti–6Al–4V specimen manufactured by laser powder bed fusion, the microstructure and pore characteristics are obtained by utilizing light microscopy and X-ray computed tomography at the microscale. Employing suitable statistical analysis and reconstruction, statistical volume elements with reconstructed pore distributions are created. Using them, microscale CP simulations are performed to obtain fatigue indicating parameters. Employing a further statistical analysis, fatigue ranking parameters are derived for a comparison of different microstructures. Additionally, a comparison with the empirical Murakami's square root area concept is made. Results from first numerical studies underline the potential of the approach for understanding and improving AM materials.

Accurate models of mechanical system dynamics are often critical for model-based control and reinforcement learning. Fully data-driven dynamics models promise to ease the process of modeling and analysis, but require considerable amounts of data for training and often do not generalize well to unseen parts of the state space. Combining data-driven modeling with prior analytical knowledge is an attractive alternative as the inclusion of structural knowledge into a regression model improves the model's data efficiency and physical integrity. In this article, we survey supervised regression models that combine rigid-body mechanics with data-driven modeling techniques. We analyze the different latent functions (such as kinetic energy or dissipative forces) and operators (such as differential operators and projection matrices) underlying common descriptions of rigid-body mechanics. Based on this analysis, we provide a unified view on the combination of data-driven regression models, such as neural networks and Gaussian processes, with analytical model priors. Furthermore, we review and discuss key techniques for designing structured models such as automatic differentiation.

Neural networks are increasingly used to construct numerical solution methods for partial differential equations. In this expository review, we introduce and contrast three important recent approaches attractive in their simplicity and their suitability for high-dimensional problems: physics-informed neural networks, methods based on the Feynman–Kac formula and methods based on the solution of backward stochastic differential equations. The article is accompanied by a suite of expository software in the form of Jupyter notebooks in which each basic methodology is explained step by step, allowing for a quick assimilation and experimentation. An extensive bibliography summarizes the state of the art.

Most modeling approaches lie in either of the two categories: physics-based or data-driven. Recently, a third approach which is a combination of these deterministic and statistical models is emerging for scientific applications. To leverage these developments, our aim in this perspective paper is centered around exploring numerous principle concepts to address the challenges of (i) trustworthiness and generalizability in developing data-driven models to shed light on understanding the fundamental trade-offs in their accuracy and efficiency and (ii) seamless integration of interface learning and multifidelity coupling approaches that transfer and represent information between different entities, particularly when different scales are governed by different physics, each operating on a different level of abstraction. Addressing these challenges could enable the revolution of digital twin technologies for scientific and engineering applications.

Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using samples. When trained successfully, we can use the DGM to estimate the likelihood of each observation and to create new samples from the underlying distribution. Developing DGMs has become one of the most hotly researched fields in artificial intelligence in recent years. The literature on DGMs has become vast and is growing rapidly. Some advances have even reached the public sphere, for example, the recent successes in generating realistic-looking images, voices, or movies; so-called deep fakes. Despite these successes, several mathematical and practical issues limit the broader use of DGMs: given a specific dataset, it remains challenging to design and train a DGM and even more challenging to find out why a particular model is or is not effective. To help advance the theoretical understanding of DGMs, we introduce DGMs and provide a concise mathematical framework for modeling the three most popular approaches: normalizing flows, variational autoencoders, and generative adversarial networks. We illustrate the advantages and disadvantages of these basic approaches using numerical experiments. Our goal is to enable and motivate the reader to contribute to this proliferating research area. Our presentation also emphasizes relations between generative modeling and optimal transport.

This paper introduces a semi-discrete implicit Euler (SDIE) scheme for the Allen-Cahn equation (ACE) with fidelity forcing on graphs. The continuous-in-time version of this differential equation was pioneered by Bertozzi and Flenner in 2012 as a method for graph classification problems, such as semi-supervised learning and image segmentation. In 2013, Merkurjev et. al. used a Merriman-Bence-Osher (MBO) scheme with fidelity forcing instead, as heuristically it was expected to give similar results to the ACE. The current paper rigorously establishes the graph MBO scheme with fidelity forcing as a special case of an SDIE scheme for the graph ACE with fidelity forcing. This connection requires the use of the double-obstacle potential in the ACE, as was already demonstrated by Budd and Van Gennip in 2020 in the context of ACE without a fidelity forcing term. We also prove that solutions of the SDIE scheme converge to solutions of the graph ACE with fidelity forcing as the discrete time step converges to zero. In the second part of the paper we develop the SDIE scheme as a classification algorithm. We also introduce some innovations into the algorithms for the SDIE and MBO schemes. For large graphs, we use a QR decomposition method to compute an eigendecomposition from a Nyström extension, which outperforms the method used by, for example, Bertozzi and Flenner in 2012, in accuracy, stability, and speed. Moreover, we replace the Euler discretization for the scheme's diffusion step by a computation based on the Strang formula for matrix exponentials. We apply this algorithm to a number of image segmentation problems, and compare the performance with that of the graph MBO scheme with fidelity forcing. We find that while the general SDIE scheme does not perform better than the MBO special case at this task, our other innovations lead to a significantly better segmentation than that from previous literature. We also empirically quantify the uncertainty that this segmentation inherits from the randomness in the Nyström extension.

Scientific machine learning (SciML), an area of research where techniques from machine learning and scientific computing are combined, has become of increasing importance and receives growing attention. Here, our focus is on a very specific area within SciML given by the combination of domain decomposition methods (DDMs) with machine learning techniques for the solution of partial differential equations. The aim of the present work is to make an attempt of providing a review of existing and also new approaches within this field as well as to present some known results in a unified framework; no claim of completeness is made. As a concrete example of machine learning enhanced DDMs, an approach is presented which uses neural networks to reduce the computational effort in adaptive DDMs while retaining their robustness. More precisely, deep neural networks are used to predict the geometric location of constraints which are needed to define a robust coarse space. Additionally, two recently published deep domain decomposition approaches are presented in a unified framework. Both approaches use physics-constrained neural networks to replace the discretization and solution of the subdomain problems of a given decomposition of the computational domain. Finally, a brief overview is given of several further approaches which combine machine learning with ideas from DDMs to either increase the performance of already existing algorithms or to create completely new methods.