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In this paper, a recently developed snapshot hyperspectral imaging (HSI) system based on Computed Tomography Imaging Spectroscopy (CTIS) is utilized to determine Brix and pH values in Sheegene 20 table grapes through Partial Least Squares Regression (PLSR) modeling. The performance of the CTIS system is compared with that of a state-of-the-art line scan HSI system by imaging 100 grapes across both platforms. Reference measurements of Brix and pH values are obtained directly using a refractometer and a pH meter, as these parameters are essential for assessing the quality of table and wine grapes. The findings indicate that the spectra captured by the CTIS camera correlate well with the reference measurements, despite the system's narrower spectral range. The CTIS camera's advantages, including its lower cost, portability, and reduced susceptibility to motion errors, highlight its potential for promising in-field applications in grape quality assessment., Comment: 15 pages, 10 figures

Context. To date, more than 5000 exoplanets have been discovered. The large majority of these planets have a mass between 1 and 17 {M_\oplus}, making them so-called super-Earths and mini-Neptunes. The exact formation process for this abundant planet population has not yet been fully constrained. Aims. Recent studies on the formation of these planets make various assumptions with regard to the disk. The primary mass budget, held in pebbles, is either assumed to have a constant size or is parametrized as a flux. Simplifications of the temperature structure, in the form of a static power law, do not consider the temperature evolution and high magnitudes of heating in the inner part of the disk. In this study, we aim to investigate the effect these simplifications of temperature and pebble sizes have on the pebble densities and resulting planet populations. Methods. To constrain the timescales needed to form super-Earths, we developed a model for exploring a large parameter space. We included the effect of two different temperature prescriptions on a viscously accreting and spreading disk. We formed a pebble reservoir utilizing a simplified conversion timescale with a time- and radially dependent Stokes number for the dust. We then tracked the temporal evolution of the surface densities of gas, dust, and pebbles. Pebbles were allowed to drift and be accreted onto a growing protoplanet. As a planet grows, it exerts a torque on the disk, carving out a gap and affecting the pebble drift, before halting the growth of the planet., Comment: Accepted by A&A. Comments welcome

Warm Saturn type exoplanets orbiting M-dwarfs are particularly suitable for in-depth cloud characterisation through transmission spectroscopy due to their favourable stellar to planetary radius contrast. However, modelling cloud formation consistently within the 3D atmosphere remains computationally challenging. The aim is to explore the combined atmospheric and micro-physical cloud structure, and the kinetic gas-phase chemistry for the warm Saturn HATS0-6b orbiting an M-dwarf. A combined 3D cloudy atmosphere model is constructed by iteratively executing the 3D General Circulation Model (GCM) expeRT/MITgcm and a kinetic cloud formation model, each in its full complexity. Resulting cloud particle number densities, sizes, and compositions are used to derive the local cloud opacity which is then utilised in the next GCM iteration. The disequilibrium H/C/O/N gas-phase chemistry is calculated for each iteration to assess the resulting transmission spectrum in post-processing. The cloud opacity feedback causes a temperature inversion at the sub-stellar point and at the evening terminator at gas pressures higher than 0.01 bar. Furthermore, clouds cool the atmosphere between 0.01 bar and 10 bar, and narrow the equatorial wind jet. The transmission spectrum shows muted gas-phase absorption and a cloud particle silicate feature at approximately 10 micron. The combined atmosphere-cloud model retains the full physical complexity of each component and therefore enables a detailed physical interpretation with JWST NIRSpec and MIRI LRS observational accuracy. The model shows that warm Saturn type exoplanets around M-dwarfs are ideal candidates to search for limb asymmetries in clouds and chemistry, identify cloud particle composition by observing their spectral features, and identify the cloud-induced strong thermal inversion that arises on these planets specifically., Comment: 21 pages, 15 figures, Accepted by A&A

This paper studies a non-commutative generalisation of Coxeter friezes due to Berenstein and Retakh. It generalises several earlier results to this situation: A formula for frieze determinants, a $T$-path formula expressing the Laurent phenomenon, and results on gluing friezes together. One of our tools is a non-commutative version of the weak friezes introduced by Canakci and Jorgensen., Comment: Updated references. 26 pages and 16 figures

Signals with varying periodicity frequently appear in real-world phenomena, necessitating the development of efficient modelling techniques to map the measured nonlinear timeline to linear time. Here we propose a regression model that allows for a representation of periodic and dynamic patterns observed in time series data. The model incorporates a hidden strictly increasing stochastic process that represents the instantaneous frequency, allowing the model to adapt and accurately capture varying time scales. A case study focusing on age estimation of narwhal tusks is presented, where cyclic element signals associated with annual growth layer groups are analyzed. We apply the methodology to data from one such tusk collected in West Greenland and use the fitted model to estimate the age of the narwhal. The proposed method is validated using simulated signals with known cycle counts and practical considerations and modelling challenges are discussed in detail. This research contributes to the field of time series analysis, providing a tool and valuable insights for understanding and modeling complex cyclic patterns in diverse domains.

The purpose of the present paper is to address multiple aspects of the Fuglede question dealing (Fourier spectra vs geometry) with a variety of $L^2$ contexts where we make precise the interplay between the three sides of the question: (i) existence of orthogonal families of Fourier basis functions (and associated spectra) on the one hand, (ii) extensions of partial derivative operators, and (iii) geometry of the corresponding domains, stressing systems of translation-tiles. We emphasize an account of old and new developments since the original 1974-paper by Bent Fuglede where the co-authors and Steen Pedersen have contributed.

Efficiently evaluating the performance of text-to-image models is difficult as it inherently requires subjective judgment and human preference, making it hard to compare different models and quantify the state of the art. Leveraging Rapidata's technology, we present an efficient annotation framework that sources human feedback from a diverse, global pool of annotators. Our study collected over 2 million annotations across 4,512 images, evaluating four prominent models (DALL-E 3, Flux.1, MidJourney, and Stable Diffusion) on style preference, coherence, and text-to-image alignment. We demonstrate that our approach makes it feasible to comprehensively rank image generation models based on a vast pool of annotators and show that the diverse annotator demographics reflect the world population, significantly decreasing the risk of biases.

We provide a cyclone model for dynamical simulations in the pyro-process of cement production. The model is given as an index-1 differential-algebraic equation (DAE) model based on first engineering principle. Using a systematic approach, the model integrates cyclone geometry, thermo-physical aspects, stoichiometry and kinetics, mass and energy balances, and algebraic equations for volume and internal energy. The paper provides simulation results that fit expected dynamics. The cyclone model is part of an overall model for dynamical simulations of the pyro-process in a cement plant. This model can be used in the design of control and optimization systems to improve energy efficiency and reduce CO2 emission., Comment: 7 pages, 6 figures, 8 Tables

Extended Berkeley Packet Filter (eBPF) is a runtime that enables users to load programs into the operating system (OS) kernel, like Linux or Windows, and execute them safely and efficiently at designated kernel hooks. Each program passes through a verifier that reasons about the safety guarantees for execution. Hosting a safe virtual machine runtime within the kernel makes it dynamically programmable. Unlike the popular approach of bypassing or completely replacing the kernel, eBPF gives users the flexibility to modify the kernel on the fly, rapidly experiment and iterate, and deploy solutions to achieve their workload-specific needs, while working in concert with the kernel. In this paper, we present the first comprehensive description of the design and implementation of the eBPF runtime in the Linux kernel. We argue that eBPF today provides a mature and safe programming environment for the kernel. It has seen wide adoption since its inception and is increasingly being used not just to extend, but program entire components of the kernel, while preserving its runtime integrity. We outline the compelling advantages it offers for real-world production usage, and illustrate current use cases. Finally, we identify its key challenges, and discuss possible future directions., Comment: 22 pages, 6 figures

Bratteli diagrams with countably infinite levels exhibit a new phenomenon: they can be horizontally stationary. The incidence matrices of these horizontally stationary Bratteli diagrams are infinite banded Toeplitz matrices. In this paper, we study the fundamental properties of horizontally stationary Bratteli diagrams. In these diagrams, we provide an explicit description of ergodic tail invariant probability measures. For a certain class of horizontally stationary Bratteli diagrams, we prove that all ergodic tail invariant probability measures are extensions of measures from odometers. Additionally, we establish conditions for the existence of a continuous Vershik map on the path space of a horizontally stationary Bratteli diagram., Comment: 25 pages, 2 figures

We present a 2D model for a grate belt cooler in the pyro-section of a cement plant. The model is formulated as an index-1 differential-algebraic equation (DAE) model based on first engineering principles. The model systematically integrates thermo-physical aspects, transport phenomena, reaction kinetics, mass and energy balances, and algebraic volume and energy relations. The model is used for dynamic simulation of the cooler and the paper provides dynamic and steady-state simulation results matching the expected behavior. The cooler model is one part of a full pyro-section model for dynamical simulations. The model can serve as a basis for the design of optimization and control systems towards improving energy efficiency and CO2 emission., Comment: 7 pages, 6 figures, 4 tables

We present the theory and implementation of a novel, fully variational wave function - density functional theory (DFT) hybrid model, which is applicable to many cases of strong correlation. We denote this model the multiconfigurational self-consistent on-top pair-density functional theory model (MC-srPDFT). We have previously shown how the multi-configurational short-range DFT hybrid model (MC-srDFT) can describe many multiconfigurational cases of any spin symmetry, and also state-specific calculations on excited states. However, the srDFT part of the MC-srDFT has some deficiencies that it shares with Kohn-Sham DFT, namely that different MS states have different energies and wrong bond dissociation description of singlet and non-singlet equilibrium states to open-shell fragments. The model we present in this paper corrects these deficiencies by introducing the on-top pair density. Unlike other models in the literature, our model is fully variational and employs a long-range version of the on-top pair density. The implementation is a second-order optimization algorithm ensuring robust convergence to both ground- and excited states. We show how MC-srPDFT solves the mentioned challenges by sample calculations on the ground state singlet curve of H$_2$, N$_2$, and Cr$_2$ and the lowest triplet curves for N$_2$ and Cr$_2$. The calculations show correct degeneracy between the singlet and triplet curves at dissociation and the results are invariant to the choice of MS value for the triplet curves.

While some research fields have a long history of collaborating with domain experts outside academia, many quantitative researchers do not have natural avenues to meet experts in areas where the research is later deployed. We explain how conversations -- interviews without a specific research objective -- can bridge research and practice. Using collaborative autoethnography, we reflect on our experience of conducting conversations with practitioners from a range of different backgrounds, including refugee rights, conservation, addiction counseling, and municipal data science. Despite these varied backgrounds, common lessons emerged, including the importance of valuing the knowledge of experts, recognizing that academic research and practice have differing objectives and timelines, understanding the limits of quantification, and avoiding data extractivism. We consider the impact of these conversations on our work, the potential roles we can serve as researchers, and the challenges we anticipate as we move forward in these collaborations., Comment: Accepted for publication at the fourth ACM Conference on Equity and Access in Algorithms, Mechanisms, and Optimization (EAAMO'24)

The SPARC tokamak is a compact high-field device that will operate at high plasma density with the aim to demonstrate net fusion energy. The experimentally unexplored plasma conditions in SPARC will require a carefully selected set of diagnostics for plasma monitoring and control. Here we explore conceptual design options and potential measurement capabilities of a collective Thomson scattering diagnostic at SPARC. We show that a 140 GHz X-mode CTS system is the most attractive option in terms of optimizing the signal-to-noise ratio and limiting sensitivity to refraction, as well as from a technological readiness perspective. Such a setup can provide core-localized measurements of the fusion -born alpha distribution function, main-ion temperature and toroidal rotation, fuel-ion ratio, and 3He content with relevant spatio-temporal resolution. Our proposed diagnostic layout can in principle be integrated into SPARC and could provide a valuable addition to its diagnostic suite at limited development costs and time., Comment: 26 pages, 10 figures, submitted to Nuclear Fusion

In recent years, the building sector has experienced an increasing legislative pressure to reduce the energy consumption. This has created a global need for affordable building management systems (BMS) in areas such as lighting-, temperature-, air quality monitoring and control. BMS uses 2D and 3D building representations to visualize various aspects of building operations. Today the creation of these visual building representations relies on labor-intensive and costly computer-aided design (CAD) processes. Hence, to create affordable BMS there is an urgent need to develop methods for cost-effective automatic creation of visual building representations. This paper introduces an automatic, metadata-driven method for constructing building visualizations using metadata from existing smart building infrastructure. The method presented in this study utilizes a Velocity Verlet integration-based physics particle simulation that uses metadata to define the force dynamics within the simulation. This process generates an abstract point cloud representing the organization of BMS components into building zones. The developed system was tested in two buildings of respectively 2,560 m2 and 18,000 m2. The method successfully produced visual building representations based on the available metadata, demonstrating its feasibility and cost-effectiveness., Comment: 15 pages, 11 figures

The retrofitting of existing buildings with building management systems presents significant challenges, primarily due to the need for labor and cost efficiency. Wireless technology offers a promising solution to these challenges by minimizing the need for extensive wiring and structural alterations. However, achieving retrofitting in a cost-effective manner necessitates the use of low-cost wireless technologies. This paper introduces a framework for constructing a Zigbee gateway using open-source tools combined with low-cost hardware. The proposed architecture addresses large-scale IoT deployments within the Zigbee ecosystem. By leveraging edge computing with the robustness and scalability offered by Zigbee technology, this architecture significantly reduces the economic barriers to retrofit buildings with building management systems. The results underscore the potential of open-source Zigbee technology in aligning with sustainability goals, providing a cost-effective pathway for retrofitting buildings into smart, energy-efficient living environments.

The growing shift towards a Smart Grid involves integrating numerous new digital energy solutions into the energy ecosystems to address problems arising from the transition to carbon neutrality, particularly in linking the electricity and transportation sectors. Yet, this shift brings challenges due to mass electric vehicle adoption and the lack of methods to adequately assess various EV charging algorithms and their ecosystem impacts. This paper introduces a multi-agent based simulation model, validated through a case study of a Danish radial distribution network serving 126 households. The study reveals that traditional charging leads to grid overload by 2031 at 67% EV penetration, while decentralized strategies like Real-Time Pricing could cause overloads as early as 2028. The developed multi-agent based simulation demonstrates its ability to offer detailed, hourly analysis of future load profiles in distribution grids, and therefore, can be applied to other prospective scenarios in similar energy systems.

Power-to-Hydrogen is crucial for the renewable energy transition, yet existing literature lacks business models for the significant excess heat it generates. This study addresses this by evaluating three models for selling electrolyzer-generated heat to district heating grids: constant, flexible, and renewable-source hydrogen production, with and without heat sales. Using agent-based modeling and multi-criteria decision-making methods (VIKOR, TOPSIS, PROMETHEE), it finds that selling excess heat can cut hydrogen production costs by 5.6%. The optimal model operates flexibly with electricity spot prices, includes heat sales, and maintains a hydrogen price of 3.3 EUR/kg. Environmentally, hydrogen production from grid electricity could emit up to 13,783.8 tons of CO2 over four years from 2023. The best economic and environmental model uses renewable sources and sells heat at 3.5 EUR/kg

This paper addresses the critical integration of electric vehicles (EVs) into the electricity grid, which is essential for achieving carbon neutrality by 2050. The rapid increase in EV adoption poses significant challenges to the existing grid infrastructure, particularly in managing the increasing electricity demand and mitigating the risk of grid overloads. Centralized EV charging strategies are investigated due to their potential to optimize grid stability and efficiency, compared to decentralized approaches that may exacerbate grid stress. Utilizing a multi-agent based simulation model, the study provides a realistic representation of the electric vehicle home charging ecosystem in a case study of Strib, Denmark. The findings show that the Earliest-deadline-first and Round Robin perform best with 100% EV adoption in terms of EV user satisfaction. The simulation considers a realistic adoption curve, EV charging strategies, EV models, and driving patterns to capture the full ecosystem dynamics over a long-term period with high resolution (hourly). Additionally, the study offers detailed load profiles for future distribution grids, demonstrating how centralized charging strategies can efficiently manage grid loads and prevent overloads.

Motivated by questions in quantum theory, we study Hilbert space valued Gaussian processes, and operator-valued kernels, i.e., kernels taking values in B(H) (= all bounded linear operators in a fixed Hilbert space H). We begin with a systematic study of p.d. B(H)-valued kernels and the associated of H-valued Gaussian processes, together with their correlation and transfer operators. In our consideration of B(H)-valued kernels, we drop the p.d. assumption. We show that input-output models can be computed for systems of signed kernels taking the precise form of realizability via associated transfer block matrices (of operators analogous to the realization transforms in systems theory), i.e., represented via 2\times2 operator valued block matrices. In the context of B(H)-valued kernels we present new results on regression with H-valued Gaussian processes.

MoonLITE (Lunar InTerferometry Explorer) is an Astrophysics Pioneers proposal to develop, build, fly, and operate the first separated-aperture optical interferometer in space, delivering sub-mas science results. MoonLITE will leverage the Pioneers opportunity for utilizing NASA's Commercial Lunar Payload Services (CLPS) to deliver an optical interferometer to the lunar surface, enabling unprecedented discovery power by combining high spatial resolution from optical interferometry with deep sensitivity from the stability of the lunar surface. Following landing, the CLPS-provided rover will deploy the pre-loaded MoonLITE outboard optical telescope 100 meters from the lander's inboard telescope, establishing a two-element interferometric observatory with a single deployment. MoonLITE will observe targets as faint as 17th magnitude in the visible, exceeding ground-based interferometric sensitivity by many magnitudes, and surpassing space-based optical systems resolution by a factor of 50 times. The capabilities of MoonLITE open a unique discovery space that includes direct size measurements of the smallest, coolest stars and substellar brown dwarfs; searches for close-in stellar companions orbiting exoplanet-hosting stars that could confound our understanding and characterization of the frequency of Earth-like planets; direct size measurements of young stellar objects and characterization of the terrestrial planet-forming regions of these young stars; measurements of the inner regions and binary fraction of active galactic nuclei; and a probe of the very nature of spacetime foam itself. A portion of the observing time will also be made available to the broader community via a guest observer program. MoonLITE takes advantage of the CLPS opportunity and delivers an unprecedented combination of sensitivity and angular resolution at the remarkably affordable cost point of Pioneers., Comment: 13 pages, 8 figures, SPIE Astronomical Telescopes + Instrumentation 2024

The Big Fringe Telescope (BFT) is a facility concept under development for a next-generation, kilometer-scale optical interferometer. Observations over the past two decades from routinely operational facilities such as CHARA and VLTI have produced groundbreaking scientific results, reflecting the mature state of the techniques in optical interferometry. However, routine imaging of bright main sequence stars remains a surprisingly unexplored scientific realm. Additionally, the three-plus decade old technology infrastructure of these facilities leads to high operations \& maintenance costs, and limits performance. We are developing the BFT, based upon robust, modern, commercially-available, automated technologies with low capital construction and O\&M costs, in support of kilometer-scale optical interferometers that will open the door to regular `snapshot' imaging of main sequence stars. Focusing on extreme angular resolution for bright objects leads to substantial reductions in expected costs through use of COTS elements and simplified infrastructure., Comment: 11 pages, 3 figures, SPIE Astronomical Telescopes + Instrumentation 2024

We present the results of the ALMA Large Program Early Planet Formation in Embedded disks observations of the Class 0 protostar GSS30 IRS3. Our observations included 1.3 mm continuum with a resolution of 0.''05 (7.8 au) and several molecular species including $^{12}$CO, $^{13}$CO, C$^{18}$O, H$_{2}$CO and c-C$_{3}$H$_{2}$. The dust continuum analysis unveiled a disk-shaped structure with a major axis size of $\sim$200 au. We observed an asymmetry in the minor axis of the continuum emission suggesting that the emission is optically thick and the disk is flared. On the other hand, we identified two prominent bumps along the major axis located at distances of 26 and 50 au from the central protostar. The origin of the bumps remains uncertain and might be due to an embedded substructure within the disk or the result of the temperature distribution instead of surface density due to optically thick continuum emission. The $^{12}$CO emission reveals a molecular outflow consisting of three distinct components: a collimated one, an intermediate velocity component exhibiting an hourglass shape, and a wider angle low-velocity component. We associate these components with the coexistence of a jet and a disk-wind. The C$^{18}$O emission traces both a Keplerian rotating circumstellar disk and the infall of the rotating envelope. We measured a stellar dynamical mass of 0.35$\pm$0.09 M$_{\odot}$., Comment: 25 pages, 19 figures. Accepted for publication in A&A

This study focuses on the numerical discretization methods for the continuous-time discounted linear-quadratic optimal control problem (LQ-OCP) with time delays. By assuming piecewise constant inputs, we formulate the discrete system matrices of the discounted LQ-OCPs into systems of differential equations. Subsequently, we derive the discrete-time equivalent of the discounted LQ-OCP by solving these systems. This paper presents three numerical methods for solving the proposed differential equations systems: the fixed-time-step ordinary differential equation (ODE) method, the step-doubling method, and the matrix exponential method. Our numerical experiment demonstrates that all three methods accurately solve the differential equation systems. Interestingly, the step-doubling method emerges as the fastest among them while maintaining the same level of accuracy as the fixed-time-step ODE method.

In this paper, we present a nonlinear model predictive control (NMPC) algorithm for systems modeled by semi-explicit stochastic differential-algebraic equations (DAEs) of index 1. The NMPC combines a continuous-discrete extended Kalman filter (CD-EKF) with an optimal control problem (OCP) for setpoint tracking. We discretize the OCP using direct multiple shooting. We apply an explicit singly diagonal implicit Runge-Kutta (ESDIRK) integration scheme to solve systems of DAEs, both for the one-step prediction in the CD-EKF and in each shooting interval of the discretized OCP. The ESDIRK methods use an iterated internal numerical differentiation approach for precise sensitivity computations. These sensitivities are used to provide accurate gradient information in the OCP and to efficiently integrate the covariance information in the CD-EKF. Subsequently, we present a simulation case study where we apply the NMPC to a simple alkaline electrolyzer stack model. We use the NMPC to track a time-varying setpoint for the stack temperature subject to input bound constraints.

This study presents the design, discretization and implementation of the continuous-time linear-quadratic model predictive control (CT-LMPC). The control model of the CT-LMPC is parameterized as transfer functions with time delays, and they are separated into deterministic and stochastic parts for relevant control and filtering algorithms. We formulate time-delay, finite-horizon CT linear-quadratic optimal control problems (LQ-OCPs) for the CT-LMPC. By assuming piece-wise constant inputs and constraints, we present the numerical discretization of the proposed LQ-OCPs and show how to convert the discrete-time (DT) equivalent into a standard quadratic program. The performance of the CT-LMPC is compared with the conventional DT-LMPC algorithm. Our numerical experiments show that, under fixed tunning parameters, the CT-LMPC shows better closed-loop performance as the sampling time increases than the conventional DT-LMPC.

We present Atacama Large Millimeter/submillimeter Array (ALMA) observations of the binary Class 0 protostellar system BHR 71 IRS1 and IRS2 as part of the Early Planet Formation in Embedded Disks (eDisk) ALMA Large Program. We describe the $^{12}$CO ($J$=2--1), $^{13}$CO ($J$=2--1), C$^{18}$O ($J$=2--1), H$_2$CO ($J=3_{2,1}$--$2_{2,0}$), and SiO ($J$=5--4) molecular lines along with the 1.3 mm continuum at high spatial resolution ($\sim$0.08" or $\sim$5 au). Dust continuum emission is detected toward BHR 71 IRS1 and IRS2, with a central compact component and extended continuum emission. The compact components are smooth and show no sign of substructures such as spirals, rings or gaps. However, there is a brightness asymmetry along the minor axis of the presumed disk in IRS1, possibly indicative of an inclined geometrically and optically thick disk-like component. Using a position-velocity diagram analysis of the C$^{18}$O line, clear Keplerian motions were not detected toward either source. If Keplerian rotationally-supported disks are present, they are likely deeply embedded in their envelope. However, we can set upper limits of the central protostellar mass of 0.46 M$_\odot$ and 0.26 M$_\odot$ for BHR 71 IRS1 and BHR 71 IRS2, respectively. Outflows traced by $^{12}$CO and SiO are detected in both sources. The outflows can be divided into two components, a wide-angle outflow and a jet. In IRS1, the jet exhibits a double helical structure, reflecting the removal of angular momentum from the system. In IRS2, the jet is very collimated and shows a chain of knots, suggesting episodic accretion events., Comment: 38 pages, 29 figures, accepted in ApJ

In this study, high pressure synchrotron powder X-ray diffraction is used to investigate the compression of two high pressure polymorphs of \ce{CrSb2}. The first is the \ce{CuAl2}-type polymorph with an eight-fold coordinated Cr, which can be quenched to ambient conditions from high-pressure high-temperature conditions. The second is the recently discovered \ce{MoP2}-type polymorph, which is induced by compression at room temperature, with a seven-fold coordinated Cr. Here, the assigned structure is unambiguously confirmed by solving it from single-crystal X-ray diffraction. Furthermore, the electrical properties of the \ce{MoP2}-type polymorph were investigated theoretically and the resistance calculations under pressure were accompanied by resistance measurements under high pressure on a single crystal of \ce{CrSb2}. The calculated electronic band structure for the \ce{MoP2}-type phase is discussed and we show that the polymorph is semimetallic and possesses type-I Weyl points. No further phase transitions were observed for the \ce{CuAl2}-type structure up to 50 GPa and 40 GPa for the \ce{MoP2}-type structure. Even though the \ce{CuAl2}-phase has the highest coordination number of Cr, it was found to be less compressible than the \ce{MoP2}-phase having a seven-fold coordinated Cr, which was attributed to the longer Cr-Sb distance in the \ce{CuAl2}-type phase. The discovery of a type-I Weyl semimetallic phase in \ce{CrSb2} opens up for discovering other Weyl semimetals in the transition metal di-pnictides under high pressure., Comment: 20 pages, 4 tables, 6 figures

This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necessity of a collaborative effort to create, establish, and sustain a database that allows findability, accessibility, interoperability, and reusability of molecular dynamics simulation data. Such a development would democratize the field and significantly improve the impact of MD simulations on life science research. This will transform our working paradigm, pushing the field to a new frontier. We invite you to support our initiative at the MDDB community (https://mddbr.eu/community/)

We present a parallel between commutative and non-commutative polymorphisms. Our emphasis is the applications to conditional distributions from stochastic processes. In the classical case, both the measures and the positive definite kernels are scalar valued. But the non-commutative framework (as motivated by quantum theory) dictates a setting where instead now both the measures (in the form of quantum states), and the positive definite kernels, are operator valued. The non-commutative theory entails a systematic study of positive operator valued measures, abbreviated POVMs. And quantum states (normal states) are indexed by normalized positive trace-class operators. In the non-commutative theory, the parallel to the commutative/scalar valued theory helps us understand entanglement in quantum information. A further implication of our study of the non-commutative framework will entail an interplay between the two cases, scalar valued, vs operator valued.

Computation of a grid of self consistent 1D model atmospheres of cool stars, sub-stellar objects and exoplanets in the effective temperature range 300K to 3000K, including cloud formation, chemical non-equilibrium effects, and stellar irradiation. The models are called MSG, because they are based on an iterative coupling between three well tested codes, the MARCS stellar atmosphere code, the StaticWeather cloud formation code and the GGchem chemical equilibrium code. It includes up-to-date molecular and atomic opacities, cloud formation and advanced chemical equilibrium calculations, and involves new numerical methods at low temperatures to allow robust convergence. The coupling between the MARCS radiative transfer and GGchem chemical equilibrium computations has made it possibly effectively to reach convergence based on electron pressure for the warmer models and gas pressure for the cooler models, enabling self-consistent modelling of stellar, sub-stellar and exoplanetary objects in a very wide range of effective temperatures. Here we describe the basic details of the models, with illustrative examples of cloudy and irradiated models as well as models based on non-equilibrium chemistry. The qualitative changes in the relative abundances of TiO, H2O, CH4, NH3, and other molecules in our models follow the observationally defined M, L, T (and Y) sequences, but reveal more complex and depth dependent abundance changes, and therefore a spectral classification depending on more parameters. The self consistent coupling to Static-Weather cloud computations, allows detailed comparison between nucleation and observed relative dimming of different spectral bands, with advanced applications for new identification methods of potential exoplanetary biology.

Heart rate (HR) is a crucial physiological signal that can be used to monitor health and fitness. Traditional methods for measuring HR require wearable devices, which can be inconvenient or uncomfortable, especially during sleep and meditation. Noncontact HR detection methods employing microwave radar can be a promising alternative. However, the existing approaches in the literature usually use high-gain antennas and require the sensor to face the user's chest or back, making them difficult to integrate into a portable device and unsuitable for sleep and meditation tracking applications. This study presents a novel approach for noncontact HR detection using a miniaturized Soli radar chip embedded in a portable device (Google Nest Hub). The chip has a $6.5 \mbox{ mm} \times 5 \mbox{ mm} \times 0.9 \mbox{ mm}$ dimension and can be easily integrated into various devices. The proposed approach utilizes advanced signal processing and machine learning techniques to extract HRs from radar signals. The approach is validated on a sleep dataset (62 users, 498 hours) and a meditation dataset (114 users, 1131 minutes). The approach achieves a mean absolute error (MAE) of $1.69$ bpm and a mean absolute percentage error (MAPE) of $2.67\%$ on the sleep dataset. On the meditation dataset, the approach achieves an MAE of $1.05$ bpm and a MAPE of $1.56\%$. The recall rates for the two datasets are $88.53\%$ and $98.16\%$, respectively. This study represents the first application of the noncontact HR detection technology to sleep and meditation tracking, offering a promising alternative to wearable devices for HR monitoring during sleep and meditation., Comment: 15 pages

Context. High frame-rate imaging was employed to mitigate the effects of atmospheric turbulence (seeing) in observations of globular cluster Terzan 5. Aims. High-precision time-series photometry has been obtained with the highest angular resolution so far taken in the crowded central region of Terzan 5, with ground-based telescopes, and ways to avoid saturation of the brightest stars in the field observed. Methods. The Electron-Multiplying Charge Coupled Device (EMCCD) camera installed at the Danish 1.54-m telescope at the ESO La Silla Observatory was employed to produce thousands of short-exposure time images (ten images per second) that were stacked to produce the normal-exposure-time images (minutes). We employed difference image analysis in the stacked images to produce high-precision photometry using the DanDIA pipeline. Results. Light curves of 1670 stars with 242 epochs were analyzed in the crowded central region of Terzan 5 to statistically detect variable stars in the field observed. We present a possible visual counterpart outburst at the position of the pulsar J1748-2446N, and the visual counterpart light curve of the low-mass X-ray binary CX 3. Additionally, we present the discovery of 4 semiregular variables. We also present updated ephemerides and properties of the only RR Lyrae star previously known in the field covered by our observations in Terzan 5. Finally, we report a significant displacement of two sources by ~0.62 and 0.59 arcseconds with respect to their positions in previous images available in the literature., Comment: 22 pages, 18 figures, 7 tables. Accepted for publication in A&A

We introduce a stochastic framework into the open--source Core Imaging Library (CIL) which enables easy development of stochastic algorithms. Five such algorithms from the literature are developed, Stochastic Gradient Descent, Stochastic Average Gradient (-Am\'elior\'e), (Loopless) Stochastic Variance Reduced Gradient. We showcase the functionality of the framework with a comparative study against a deterministic algorithm on a simulated 2D PET dataset, with the use of the open-source Synergistic Image Reconstruction Framework. We observe that stochastic optimisation methods can converge in fewer passes of the data than a standard deterministic algorithm.

Starting from its original definition in module categories with respect to projective modules, the index has played an important role in various aspects of homological algebra, categorification of cluster algebras and $K$-theory. In the last few years, the notion of index has been generalised to several different contexts in (higher) homological algebra, typically with respect to a (higher) cluster-tilting subcategory $\mathcal{X}$ of the relevant ambient category $\mathcal{C}$. The recent tools of extriangulated and higher-exangulated categories have permitted some conditions on the subcategory $\mathcal{X}$ to be relaxed. In this paper, we introduce the index with respect to a generating, contravariantly finite subcategory of a $d$-exact category that has $d$-kernels. We show that our index has the important property of being additive on $d$-exact sequences up to an error term., Comment: 17 pages. Comments welcome!

We have started a measurement campaign of numerous methanol isotopologs in low-lying torsional states in order to provide extensive line lists for radio astronomical observations from an adequate spectroscopic model and to investigate how the intricate vibration-torsion-rotation interactions manifest themselves in the spectra of different isotopic species. After CD$_3$OH and CD$_3$OD, we turn our focus to CH$_3$OD, which is an important species for studying deuteration in prestellar cores and envelopes that enshroud protostars. Notably, deuteration is frequently viewed as a diagnostic tool for star formation. The measurements used in this study were obtained in two spectroscopic laboratories and cover large fractions of the 34 GHz--1.35 THz range. As done in previous studies, we employed a torsion-rotation Hamiltonian model for our analysis that is based on the rho-axis method. The resulting model describes the ground and first excited torsional states of CH$_3$OD well up to quantum numbers $J \leqslant 51$ and $K_a \leqslant 18$. We derived a line list for radio astronomical observations from this model that is accurate up to at least 1.35~THz and should be sufficient for all types of radio astronomical searches for this methanol isotopolog in these two lowest torsional states. This line list was applied to a reinvestigation of CH$_3$OD in data from the Protostellar Interferometric Line Survey of IRAS 16293--2422 obtained with the Atacama Large Millimeter/submillimeter Array. The new accurately determined value for the column density of CH$_3$OD implies that the deuteration in methanol differs in its two functional groups by a factor of $\sim$7.5., Comment: 12 pages including figures, tables, references and appendix. Astron. Astrophys., in press

We present a method to estimate parameters in pharmacokinetic (PK) and pharmacodynamic (PD) models for glucose insulin dynamics in humans. The method combines 1) experimental glucose infusion rate (GIR) data from glucose clamp studies and 2) a PK-PD model to estimate parameters such that the model fits the data. Assuming that the glucose clamp is perfect, we do not need to know the details of the controller in the clamp, and the GIR can be computed directly from the PK-PD model. To illustrate the procedure, we use the glucoregulatory model developed by Hovorka and modify it to have a smooth non-negative endogeneous glucose production (EGP) term. We estimate PK-PD parameters for rapid-acting insulin analogs (Fiasp and NovoRapid). We use these PK-PD parameters to illustrate GIR for insulin analogs with 30% and 50% faster absorption time than currently available rapid-acting insulin analogs. We discuss the role of system identification using GIR data from glucose clamp studies and how such identified models can be used in automated insulin dosing (AID) systems with ultra rapid-acting insulin., Comment: Submitted to be presented at a conference, 6 pages, 10 figures, 1 table

Context. The carbamoyl radical (H2NCO) is believed to play a central role in the ice-grain chemistry of crucial interstellar complex organic molecules as formamide and acetamide. Yet, little is known about this radical that remains elusive in laboratory gas-phase experiments. Aims. In order to enable interstellar searches of H2NCO, we have undertaken a mandatory laboratory characterisation of its pure rotational spectrum. Methods. We report the gas-phase laboratory detection of H2NCO, produced by H-atom abstraction from formamide, using pure rotational spectroscopy at millimetre and submillimetre wavelengths. Millimetre-wave data were acquired using chirped-pulse Fourier-transform spectroscopy while submillimetre-wave ones were obtained using Zeeman-modulated spectroscopy. Experimental measurements were guided by quantum-chemical calculations at the $\omega$B97X-D/cc-pVQZ level of theory. Interstellar searches for the radical have been undertaken on the Protostellar Interferometric Line Survey (PILS) towards the solar-type protostar IRAS 16293-2422. Results. From the assignment and fit of experimental transitions up to 660 GHz, reliable spectroscopic parameters for H2NCO in its ground vibrational state have been derived, enabling accurate spectral predictions. No transitions of the radical were detected on the PILS survey. The inferred upper limit shows that H2NCO abundance is at least 60 times below that of formamide and 160 times below that of HNCO in this source; a value that is in agreement with predictions from a physico-chemical model of this young protostar., Comment: Accepted in A&A

The beverage industry is a typical food processing industry, accounts for significant energy consumption, and has flexible demands. However, the deployment of energy flexibility in the beverage industry is complex and challenging. Furthermore, activation of energy flexibility from the whole brewery industry is necessary to ensure grid stability. Therefore, this paper assesses the energy flexibility potential of Denmark's brewery sector based on a multi-agent-based simulation. 239 individual brewery facilities are simulated, and each facility, as an agent, can interact with the energy system market and make decisions based on its underlying parameters and operational restrictions. The results show that the Danish breweries could save 1.56 % of electricity costs annually while maintaining operational security and reducing approximately 1745 tonnes of CO2 emissions. Furthermore, medium-size breweries could obtain higher relative benefits by providing energy flexibility, especially those producing lager and ale. The result also shows that the breweries' relative saving potential is electricity market-dependent.

Infrared emission features toward interstellar gas of the IC 348 star cluster in Perseus have been recently proposed to originate from the amino acid tryptophan. The assignment was based on laboratory infrared spectra of tryptophan pressed into pellets, a method which is known to cause large frequency shifts compared to the gas phase. We assess the validity of the assignment based on the original Spitzer data as well as new data from JWST. In addition, we report new spectra of tryptophan condensed in para-hydrogen matrices to compare with the observed spectra. The JWST MIRI data do not show evidence for tryptophan, despite deeper integration toward IC 348. In addition, we show that several of the lines attributed to tryptophan are likely due to instrumental artifacts. This, combined with the new laboratory data, allows us to conclude that there is no compelling evidence for the tryptophan assignment.

The low carbon content of Earth and primitive meteorites compared to the Sun and interstellar grains suggests that carbon-rich grains were destroyed in the inner few astronomical units of the young solar system. A promising mechanism to selectively destroy carbonaceous grains is thermal sublimation within the soot line at $\gtrsim$ 300 K. To address whether such hot conditions are common amongst low-mass protostars, we observe CH$_3$CN transitions at 1, 2 and 3 mm with the NOrthern Extended Millimeter Array (NOEMA) toward seven low-mass and one intermediate-mass protostar ($L_{\rm{bol}} \sim2-300 L_\odot$), as CH$_3$CN is an excellent temperature tracer. We find $>$ 300 K gas toward all sources, indicating that hot gas may be prevalent. Moreover, the excitation temperature for CH$_3$OH obtained with the same observations is always lower ($\sim$135-250 K), suggesting that CH$_3$CN and CH$_3$OH have a different spatial distribution. A comparison of the column densities at 1 and 3 mm shows a stronger increase at 3 mm for CH$_3$CN than for CH$_3$OH. Since the dust opacity is lower at longer wavelengths, this indicates that CH$_3$CN is enhanced in the hot gas compared to CH$_3$OH. If this CH$_3$CN enhancement is the result of carbon-grain sublimation, these results suggests that Earth's initial formation conditions may not be rare., Comment: 19 pages, 9 figures, 4 tables (plus 13 pages appendix with 10 figures, 4 tables). Accepted for publication in ApJ

Given a graded-commutative ring acting centrally on a triangulated category, our main result shows that if cohomology of a pair of objects of the triangulated category is finitely generated over the ring acting centrally, then the asymptotic vanishing of the cohomology is well-behaved. In particular, enough consecutive asymptotic vanishing of cohomology implies all eventual vanishing. Several key applications are also given., Comment: 14 pages

Transition metal ions play crucial roles in the structure and function of numerous proteins, contributing to essential biological processes such as catalysis, electron transfer, and oxygen binding. However, accurately modeling the electronic structure and properties of metalloproteins poses significant challenges due to the complex nature of their electronic configurations and strong correlation effects. Multiconfigurational quantum chemistry methods are, in principle, the most appropriate tools for addressing these challenges, offering the capability to capture the inherent multi-reference character and strong electron correlation present in bio-inorganic systems. Yet their computational cost has long hindered wider adoption, making methods such as Density Functional Theory (DFT) the method of choice. However, advancements over the past decade have substantially alleviated this limitation, rendering multiconfigurational quantum chemistry methods more accessible and applicable to a wider range of bio-inorganic systems. In this perspective, we discuss some of these developments and how they have already been used to answer some of the most important questions in bio-inorganic chemistry. We also comment on ongoing developments in the field and how the future of the field may evolve., Comment: Perspective, 13 pages, 4 figures, 2 tables

In the context of kernel optimization, we prove a result that yields new factorizations and realizations. Our initial context is that of general positive operator-valued kernels. We further present implications for Hilbert space-valued Gaussian processes, as they arise in applications to dynamics and to machine learning. Further applications are given in non-commutative probability theory, including a new non-commutative Radon--Nikodym theorem.

The magnetic field of a molecular cloud core may play a role in the formation of circumstellar disks in the core. We present magnetic field morphologies in protostellar cores of 16 targets in the Atacama Large Millimeter/submillimeter Array large program "Early Planet Formation in Embedded Disks (eDisk)", which resolved their disks with 7 au resolutions. The 0.1-pc scale magnetic field morphologies were inferred from the James Clerk Maxwell Telescope (JCMT) POL-2 observations. The mean orientations and angular dispersions of the magnetic fields in the dense cores are measured and compared with the radii of the 1.3 mm continuum disks and the dynamically determined protostellar masses from the eDisk program. We observe a significant correlation between the disk radii and the stellar masses. We do not find any statistically significant dependence of the disk radii on the projected misalignment angles between the rotational axes of the disks and the magnetic fields in the dense cores, nor on the angular dispersions of the magnetic fields within these cores. However, when considering the projection effect, we cannot rule out a positive correlation between disk radii and misalignment angles in three-dimensional space. Our results suggest that the morphologies of magnetic fields in dense cores do not play a dominant role in the disk formation process. Instead, the sizes of protostellar disks may be more strongly affected by the amount of mass that has been accreted onto star+disk systems, and possibly other parameters, for example, magnetic field strength, core rotation, and magnetic diffusivity., Comment: 14 pages, 4 figures, accepted by ApJ

We present an index-1 differential-algebraic equation (DAE) model for dynamic simulation of a calciner in the pyro-section of a cement plant. The model is based on first engineering principles and integrates reactor geometry, thermo-physical properties, transport phenomena, stoichiometry and kinetics, mass and energy balances, and algebraic volume and internal energy equations in a systematic manner. The model can be used for dynamic simulation of the calciner. We also provide simulation results that are qualitatively correct. The calciner model is part of an overall model for dynamical simulation of the pyro-section in a cement plant. This model can be used in design of control and optimization systems to improve the energy efficiency and \ce{CO2} emission from cement plants., Comment: 7 pages, 5 figures, 4 tables, Accepted for ADCHEM 2024 (The 12th IFAC Symposium on Advanced Control of Chemical Processes)