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High-speed flight vehicles, which travel much faster than the speed of sound, are crucial for national defense and space exploration. However, accurately predicting their behavior under numerous, varied flight conditions is a challenge and often prohibitively expensive. The proposed approach involves creating smarter, more efficient machine learning models (also known as surrogate models or meta models) that can fuse data generated from a variety of fidelity levels -- to include engineering methods, simulation, wind tunnel, and flight test data -- to make more accurate predictions. These models are able to move the bulk of the computation from high performance computing (HPC) to single user machines (laptop, desktop, etc.). The project builds upon previous work but introduces code improvements and an informed perspective on the direction of the field. The new surrogate modeling framework is now modular and, by design, broadly applicable to many modeling problems. The new framework also has a more robust automatic hyperparameter tuning capability and abstracts away most of the pre- and post-processing tasks. The Gaussian process regression and deep neural network-based models included in the presented framework were able to model two datasets with high accuracy (R^2>0.99). The primary conclusion is that the framework is effective and has been delivered to the Air Force for integration into real-world projects. For future work, significant and immediate investment in continued research is crucial. The author recommends further testing and refining modeling methods that explicitly incorporate physical laws and are robust enough to handle simulation and test data from varying resolutions and sources, including coarse meshes, fine meshes, unstructured meshes, and limited experimental test points.

Preferential diffusion plays a critical role in the evolution of lean premixed hydrogen flames, influencing flame surface corrugation and overall flame behavior. Simulating such flames with tabulated chemistry (TC) methods remains challenging due to the complexity of flame dynamics. A detailed assessment of flamelet-based manifolds for capturing these dynamics is still needed. This work incorporates preferential diffusion via mixture-averaged molecular diffusion within TC to study the propagation and structure of freely propagating hydrogen flames influenced by intrinsic instabilities. Model performance is evaluated against detailed chemistry (DC) calculations, focusing on linear and non-linear regimes and sensitivity to pressure and temperature variations. The impact of mesh resolution on flame response is also examined to assess the method's capabilities without subgrid models. The linear regime is analyzed through the dispersion relation, revealing that higher temperature or pressure extends the range of wave numbers accurately predicted by the model, although some overprediction of flame wrinkling in stable regions is observed. The nonlinear regime is assessed by comparing global flame parameters and flame structure to reference solutions, showing that the model captures key flame descriptors with relative errors under 20%. Overall, the model effectively reproduces key effects governing flames with thermodiffusive instabilities, offering a viable alternative to DC at a significantly reduced computational cost., Comment: 28 pages, 8 figures, preprint, submitted to international journal of hydrogen energy

The Open Radio Access Network (O-RAN) Alliance proposes an open architecture that disaggregates the RAN and supports executing custom control logic in near-real time from third-party applications, the xApps. Despite O-RAN's efforts, the creation of xApps remains a complex and time-consuming endeavor, aggravated by the sometimes fragmented, outdated, or deprecated documentation from the O-RAN Software Community (OSC). These challenges hinder academia and industry from developing and validating solutions and algorithms on O-RAN networks. This tutorial addresses this gap by providing the first comprehensive guide for developing xApps to manage the O-RAN ecosystem from theory to practice. We provide a thorough theoretical foundation of the O-RAN architecture and detail the functionality offered by Near Real-Time RAN Intelligent Controller (Near-RT RIC) components. We examine the xApp design and configuration. We explore the xApp lifecycle and demonstrate how to deploy and manage xApps on a Near-RT RIC. We address the xApps' interfaces and capabilities, accompanied by practical examples. We provide comprehensive details on how xApps can control the RAN. We discuss debugging strategies and good practices to aid the xApp developers in testing their xApps. Finally, we review the current landscape and open challenges for creating xApps.

We report on the trapping of single rubidium atoms in large arrays of optical tweezers comprising up to 2088 sites in a cryogenic environment at 6 K. Our approach relies on the use of microscope objectives that are in-vacuum but at room temperature, in combination with windowless thermal shields into which the objectives are protruding to ensure a cryogenic environment for the trapped atoms. To achieve enough optical power for efficient trapping, we combine two lasers at slightly different wavelengths. We discuss the performance and limitations of our design. Finally, we demonstrate atom-by-atom rearrangement of an 828-atom target array using moving optical tweezers controlled by a field-programmable gate array., Comment: 6 pages, 4 figures

Objective: Federated Learning (FL) enables collaborative model training while keeping data locally. Currently, most FL studies in radiology are conducted in simulated environments due to numerous hurdles impeding its translation into practice. The few existing real-world FL initiatives rarely communicate specific measures taken to overcome these hurdles, leaving behind a significant knowledge gap. Minding efforts to implement real-world FL, there is a notable lack of comprehensive assessment comparing FL to less complex alternatives. Materials & Methods: We extensively reviewed FL literature, categorizing insights along with our findings according to their nature and phase while establishing a FL initiative, summarized to a comprehensive guide. We developed our own FL infrastructure within the German Radiological Cooperative Network (RACOON) and demonstrated its functionality by training FL models on lung pathology segmentation tasks across six university hospitals. We extensively evaluated FL against less complex alternatives in three distinct evaluation scenarios. Results: The proposed guide outlines essential steps, identified hurdles, and proposed solutions for establishing successful FL initiatives conducting real-world experiments. Our experimental results show that FL outperforms less complex alternatives in all evaluation scenarios, justifying the effort required to translate FL into real-world applications. Discussion & Conclusion: Our proposed guide aims to aid future FL researchers in circumventing pitfalls and accelerating translation of FL into radiological applications. Our results underscore the value of efforts needed to translate FL into real-world applications by demonstrating advantageous performance over alternatives, and emphasize the importance of strategic organization, robust management of distributed data and infrastructure in real-world settings.

Kohn-Sham Density Functional Theory (KS-DFT) provides the exact ground state energy and electron density of a molecule, contingent on the as-yet-unknown universal exchange-correlation (XC) functional. Recent research has demonstrated that neural networks can efficiently learn to represent approximations to that functional, offering accurate generalizations to molecules not present during the training process. With the latest advancements in quantum-enhanced machine learning (ML), evidence is growing that Quantum Neural Network (QNN) models may offer advantages in ML applications. In this work, we explore the use of QNNs for representing XC functionals, enhancing and comparing them to classical ML techniques. We present QNNs based on differentiable quantum circuits (DQCs) as quantum (hybrid) models for XC in KS-DFT, implemented across various architectures. We assess their performance on 1D and 3D systems. To that end, we expand existing differentiable KS-DFT frameworks and propose strategies for efficient training of such functionals, highlighting the importance of fractional orbital occupation for accurate results. Our best QNN-based XC functional yields energy profiles of the H$_2$ and planar H$_4$ molecules that deviate by no more than 1 mHa from the reference DMRG and FCI/6-31G results, respectively. Moreover, they reach chemical precision on a system, H$_2$H$_2$, not present in the training dataset, using only a few variational parameters. This work lays the foundation for the integration of quantum models in KS-DFT, thereby opening new avenues for expressing XC functionals in a differentiable way and facilitating computations of various properties.

This paper presents a study of solution strategies for the Cahn-Hilliard-Biot equations, a complex mathematical model for understanding flow in deformable porous media with changing solid phases. Solving the Cahn-Hilliard-Biot system poses significant challenges due to its coupled, nonlinear and non-convex nature. We explore various solution algorithms, comparing monolithic and splitting strategies, focusing on both their computational efficiency and robustness.

Mixed-dimensional mathematical models for flow in fractured media have been prevalent in the modeling community for almost two decades, utilizing the explicit representation of fractures by lower-dimensional manifolds embedded in the surrounding porous media. In this work, for the first time, direct qualitative and quantitative comparisons of mixed-dimensional models are drawn against laboratory experiments. Dedicated displacement experiments of steady-state laminar flow in fractured media are investigated using both high-resolution PET images as well as state-of-the-art numerical simulations.

Multiphase poromechanics describes the evolution of multiphase flow in deformable porous media. Mathematical models for such multiphysics system are inheritely nonlinear, potentially degenerate and fully coupled systems of partial differential equations. In this work, we present a thermodynamically consistent multiphase poromechanics model falling into the category of Biot equations and obeying to a generalized gradient flow structure. It involves capillarity effects, degenerate relative permeabilities, and gravity effects. In addition to established models it introduces a Lagrange multiplier associated to a bound constraint on the effective porosity in particular ensuring its positivity. We establish existence of global weak solutions under the assumption of a weak coupling strength, implicitly utilizing the gradient flow structure, as well as regularization, a Faedo-Galerkin approach and compactness arguments. This comprises the first global existence result for multiphase poromechanics accounting for degeneracies that are consistent with the multiphase nature of the flow.

We investigate the well-posedness of the recently proposed Cahn-Hilliard-Biot model. The model is a three-way coupled PDE of elliptic-parabolic nature, with several nonlinearities and the fourth order term known to the Cahn-Hilliard system. We show existence of weak solutions to the variational form of the equations and uniqueness under certain conditions of the material parameters and secondary consolidation, adding regularizing effects. Existence is shown by discretizing in space and applying ODE-theory (the Peano-Cauchy theorem) to prove existence of the discrete system, followed by compactness arguments to retain solutions of the continuous system. In addition, the continuous dependence of solutions on the data is established, in particular implying uniqueness. Both results build strongly on the inherent gradient flow structure of the model.

Network Slicing (NS) is an essential technique extensively used in 5G networks computing strategies, mobile edge computing, mobile cloud computing, and verticals like the Internet of Vehicles and industrial IoT, among others. NS is foreseen as one of the leading enablers for 6G futuristic and highly demanding applications since it allows the optimization and customization of scarce and disputed resources among dynamic, demanding clients with highly distinct application requirements. Various standardization organizations, like 3GPP's proposal for new generation networks and state-of-the-art 5G/6G research projects, are proposing new NS architectures. However, new NS architectures have to deal with an extensive range of requirements that inherently result in having NS architecture proposals typically fulfilling the needs of specific sets of domains with commonalities. The Slicing Future Internet Infrastructures (SFI2) architecture proposal explores the gap resulting from the diversity of NS architectures target domains by proposing a new NS reference architecture with a defined focus on integrating experimental networks and enhancing the NS architecture with Machine Learning (ML) native optimizations, energy-efficient slicing, and slicing-tailored security functionalities. The SFI2 architectural main contribution includes the utilization of the slice-as-a-service paradigm for end-to-end orchestration of resources across multi-domains and multi-technology experimental networks. In addition, the SFI2 reference architecture instantiations will enhance the multi-domain and multi-technology integrated experimental network deployment with native ML optimization, energy-efficient aware slicing, and slicing-tailored security functionalities for the practical domain., Comment: 10 pages, 11 figures

In this article, we propose a novel formulation for the resource allocation problem of a sliced and disaggregated Radio Access Network (RAN) and its transport network. Our proposal assures an end-to-end delay bound for the Ultra-Reliable and Low-Latency Communication (URLLC) use case while jointly considering the number of admitted users, the transmission rate allocation per slice, the functional split of RAN nodes and the routing paths in the transport network. We use deterministic network calculus theory to calculate delay along the transport network connecting disaggregated RANs deploying network functions at the Radio Unit (RU), Distributed Unit (DU), and Central Unit (CU) nodes. The maximum end-to-end delay is a constraint in the optimization-based formulation that aims to maximize Mobile Network Operator (MNO) profit, considering a cash flow analysis to model revenue and operational costs using data from one of the world's leading MNOs. The optimization model leverages a Flexible Functional Split (FFS) approach to provide a new degree of freedom to the resource allocation strategy. Simulation results reveal that, due to its non-linear nature, there is no trivial solution to the proposed optimization problem formulation. Our proposal guarantees a maximum delay for URLLC services while satisfying minimal bandwidth requirements for enhanced Mobile BroadBand (eMBB) services and maximizing the MNO's profit., Comment: 21 pages, 10 figures. For the associated GitHub repository, see https://github.com/LABORA-INF-UFG/paper-FGKCJ-2023

Purpose: Medical imaging has become increasingly important in diagnosing and treating oncological patients, particularly in radiotherapy. Recent advances in synthetic computed tomography (sCT) generation have increased interest in public challenges to provide data and evaluation metrics for comparing different approaches openly. This paper describes a dataset of brain and pelvis computed tomography (CT) images with rigidly registered CBCT and MRI images to facilitate the development and evaluation of sCT generation for radiotherapy planning. Acquisition and validation methods: The dataset consists of CT, CBCT, and MRI of 540 brains and 540 pelvic radiotherapy patients from three Dutch university medical centers. Subjects' ages ranged from 3 to 93 years, with a mean age of 60. Various scanner models and acquisition settings were used across patients from the three data-providing centers. Details are available in CSV files provided with the datasets. Data format and usage notes: The data is available on Zenodo (https://doi.org/10.5281/zenodo.7260705) under the SynthRAD2023 collection. The images for each subject are available in nifti format. Potential applications: This dataset will enable the evaluation and development of image synthesis algorithms for radiotherapy purposes on a realistic multi-center dataset with varying acquisition protocols. Synthetic CT generation has numerous applications in radiation therapy, including diagnosis, treatment planning, treatment monitoring, and surgical planning., Comment: 15 pages, 4 figures, 9 tables, pre-print submitted to Medical Physics - dataset. The training dataset is available on Zenodo at https://doi.org/10.5281/zenodo.7260705 from April, 1st 2023

Carbon, capture, and storage (CCS) is an important bridging technology to combat climate change in the transition towards net-zero. The FluidFlower concept has been developed to visualize and study CO$_2$ flow and storage mechanisms in sedimentary systems in a laboratory setting. Meter-scale multiphase flow in two geological geometries, including normal faults with and without smearing, is studied. The experimental protocols developed to provide key input parameters for numerical simulations are detailed, including an evaluation of operational parameters for the FluidFlower benchmark study. Variability in CO$_2$ migration patterns for two different geometries is quantified, both between 16 repeated laboratory runs and between history-matched models and a CO$_2$ injection experiment. The predicative capability of a history-matched model is then evaluated in a different geological setting., Comment: manuscript + supplementary material

We perform a series of repeated CO2 injections in a room-scale physical model of a faulted geological cross-section. Relevant parameters for subsurface carbon sequestration, including multiphase flows, capillary CO2 trapping, dissolution, and convective mixing, are studied and quantified. As part of a forecasting benchmark study, we address and quantify six predefined metrics for storage capacity and security in typical CO2 storage operations. Using the same geometry, we investigate the degree of reproducibility of five repeated experimental runs. Our analysis focuses on physical variations of the spatial distribution of mobile and dissolved CO2, multiphase flow patterns, development in mass of the aqueous and gaseous phases, gravitational fingers, and leakage dynamics. We observe very good reproducibility in homogenous regions with up to 97 % overlap between repeated runs, and that fault-related heterogeneity tends to decrease reproducibility. Notably, we observe an oscillating anticline CO2 leakage behavior from an open anticline with a spill point in the immediate footwall of a normal fault, and discuss the underlying causes for the observed phenomenon within the constraints of the studied system., Comment: Supplementary materials included

Understanding porous media flow is inherently a multi-scale challenge, where at the core lies the aggregation of pore-level processes to a continuum, or Darcy-scale, description. This challenge is directly mirrored in image processing, where grains and interfaces may be clearly visible, yet continuous parameters are desirable to measure. Classical image processing is poorly adapted to this setting, as most techniques do not explicitly utilize the fact that the image contains explicit physical processes. Here, we adapt classical image processing concepts to what we define as physical images of porous materials and processes within them. This is realized through the development of a new open-source image analysis toolbox specifically adapted to time-series of images of porous materials.

The Radio Access Network (RAN) is the segment of cellular networks that provides wireless connectivity to end-users. O-RAN Alliance has been transforming the RAN industry by proposing open RAN specifications and the programmable Non-Real-Time and Near-Real-Time RAN Intelligent Controllers (Non-RT RIC and Near-RT RIC). Both RICs provide platforms for running applications called rApps and xApps, respectively, to optimize the behavior of the RAN. We investigate a disaggregation strategy of the Near-RT RIC so that its components meet stringent latency requirements while presenting a cost-effective solution. We propose the novel RIC Orchestrator (RIC-O) that optimizes the deployment of the Near-RT RIC components across the cloud-edge continuum. Edge computing nodes often present limited resources and are expensive compared to cloud computing. For example, in the O-RAN Signalling Storm Protection, Near-RT RIC is expected to support end-to-end control loop latencies as low as 10ms. Therefore, performance-critical components of Near-RT RIC and certain xApps should run at the edge while other components can run on the cloud. Furthermore, RIC-O employs an efficient strategy to react to sudden changes and re-deploy components dynamically. We evaluate our proposal through analytical modeling and real-world experiments in an extended Kubernetes deployment implementing RIC-O and disaggregated Near-RT RIC., Comment: 30 pages, 10 figures

Flow in variably saturated porous media is typically modelled by the Richards equation, a nonlinear elliptic-parabolic equation which is notoriously challenging to solve numerically. In this paper, we propose a robust and fast iterative solver for Richards' equation. The solver relies on an adaptive switching algorithm, based on rigorously derived a posteriori indicators, between two linearization methods: L-scheme and Newton. Although a combined L-scheme/Newton strategy was introduced previously in [List & Radu (2016)], here, for the first time we propose a reliable and robust criteria for switching between these schemes. The performance of the solver, which can be in principle applied to any spatial discretization and linearization methods, is illustrated through several numerical examples., Comment: 26 pages, 10 figures, journal submission

We present a framework for integrated experiments and simulations of tracer transport in heterogeneous porous media using digital twin technology. The physical asset in our setup is a meter-scale FluidFlower rig. The digital twin consists of a traditional physics-based forward simulation tool and a correction technique which compensates for mismatches between simulation results and observations. The latter augments the range of the physics-based simulation and allows us to bridge the gap between simulation and experiments in a quantitative sense. We describe the setup of the physical and digital twin, including data transfer protocols using cloud technology. The accuracy of the digital twin is demonstrated on a case with artificially high diffusion that must be compensated by the correction approach, as well as by simulations in geologically complex media. The digital twin is then applied to control tracer transport by manipulating fluid injection and production in the experimental rig, thereby enabling two-way coupling between the physical and digital twins.