Pseudo-Hamiltonian neural networks with state-dependent external forces

Hybrid machine learning based on Hamiltonian formulations has recently been successfully demonstrated for simple mechanical systems, both energy conserving and not energy conserving. We introduce a pseudo-Hamiltonian formulation that is a generalization of the Hamiltonian formulation via the port-Hamiltonian formulation, and show that pseudo-Hamiltonian neural network models can be used to learn external forces acting on a system. We argue that this property is particularly useful when the external forces are state dependent, in which case it is the pseudo-Hamiltonian structure that facilitates the separation of internal and external forces. Numerical results are provided for a forced and damped mass–spring system and a tank system of higher complexity, and a symmetric fourth-order integration scheme is introduced for improved training on sparse and noisy data.publishedVersio

System- and Data-Driven Methods and Algorithms

An increasing complexity of models used to predict real-world systems leads to the need for algorithms to replace complex models with far simpler ones, while preserving the accuracy of the predictions. This two-volume handbook covers methods as well as applications. This first volume focuses on real-time control theory, data assimilation, real-time visualization, high-dimensional state spaces and interaction of different reduction techniques

Modeling, Simulation and Data Processing for Additive Manufacturing

Additive manufacturing (AM) or, more commonly, 3D printing is one of the fundamental elements of Industry 4.0. and the fourth industrial revolution. It has shown its potential example in the medical, automotive, aerospace, and spare part sectors. Personal manufacturing, complex and optimized parts, short series manufacturing and local on-demand manufacturing are some of the current benefits. Businesses based on AM have experienced double-digit growth in recent years. Accordingly, we have witnessed considerable efforts in developing processes and materials in terms of speed, costs, and availability. These open up new applications and business case possibilities all the time, which were not previously in existence. Most research has focused on material and AM process development or effort to utilize existing materials and processes for industrial applications. However, improving the understanding and simulation of materials and AM process and understanding the effect of different steps in the AM workflow can increase the performance even more. The best way of benefit of AM is to understand all the steps related to that—from the design and simulation to additive manufacturing and post-processing ending the actual application.The objective of this Special Issue was to provide a forum for researchers and practitioners to exchange their latest achievements and identify critical issues and challenges for future investigations on “Modeling, Simulation and Data Processing for Additive Manufacturing”. The Special Issue consists of 10 original full-length articles on the topic

Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science

Modelling and diagnosis of solid oxide fuel cell (SOFC)

The development of mathematical models and numerical simulations is crucial to design improvement, optimization, and control of solid oxide fuel cells (SOFCs). The current study introduces a novel and computationally efficient pseudo-two-dimensional (pseudo-2D) model for simulating a single cell of a high-temperature hydrogen-fueled SOFC. The simplified pseudo-2D model can evaluate the cell polarization curve, species concentrations along the channel, cell temperature, and the current density distribution. The model takes the cell voltage as an input and computes the total current as an output. A full-physics three-dimensional model is then developed in ANSYS Fluent, with a complete step-by-step modeling approach being explained, to study the same cell with the identical operating conditions. The 3D model is validated against the other numerical and experimental studies available in the literature. It is shown that although the pseudo-2D solution converges significantly faster in comparison with the 3D case, the results of both models thoroughly match especially for the case of species distributions. The simplified model was then used to conduct sensitivity analysis of the effects of multi-physiochemical properties of porous electrodes on the polarization curve of the cell. A systematic inverse approach was then used to estimate the mentioned properties by applying the pattern search optimization algorithm to the polarization curve found by the pseudo-2D model. Finally, nine different input parameters of the model were changed to find the hydrogen distribution for each case, and a huge dataset of nearly half a million operating points was generated. The data was successfully employed to design a novel classifier-regressor pair as a virtual hydrogen sensor for online tracking of hydrogen concentration along the cell to avoid fuel starvation

Proceedings of the Fifth NASA/NSF/DOD Workshop on Aerospace Computational Control

The Fifth Annual Workshop on Aerospace Computational Control was one in a series of workshops sponsored by NASA, NSF, and the DOD. The purpose of these workshops is to address computational issues in the analysis, design, and testing of flexible multibody control systems for aerospace applications. The intention in holding these workshops is to bring together users, researchers, and developers of computational tools in aerospace systems (spacecraft, space robotics, aerospace transportation vehicles, etc.) for the purpose of exchanging ideas on the state of the art in computational tools and techniques