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In this study, the performance of the doubles-corrected higher random-phase approximation (HRPA(D)) has been investigated in calculations of NMR spin-spin coupling constants (SSCCs) for 58 molecules with the experimental values used as the reference values. HRPA(D) is an approximation to the second-order polarization propagator approximation (SOPPA), and is therefore computationally less expensive than SOPPA. HRPA(D) performs comparable and sometimes even better than SOPPA, and therefore when calculating SSCCs it should be considered as an alternative to SOPPA. Furthermore, it was investigated whether a CCSD(T) or MP2 geometry optimization was optimal for a SOPPA and a HRPA(D) SSCCs calculation for 8 smaller molecules. CCSD(T) is the optimal geometry optimization for the SOPPA calculation, and MP2 was optimal for the HRPA(D) SSCC calculations.

In October 2011, Denmark introduced the world's first and, to date, only tax targeting saturated fat. However, this tax was subsequently abolished in January 2013. Leveraging exogenous variation from untaxed Northern-German consumers, we employ a difference-in-differences approach to estimate the causal effects of both the implementation and repeal of the tax on consumption and expenditure behavior across eight product categories targeted by the tax. Our findings reveal significant heterogeneity in the tax's impact across these products. During the taxed period, there was a notable decline in consumption of bacon, liver sausage, salami, and cheese, particularly among low-income households. In contrast, expenditure on butter, cream, margarine, and sour cream increased as prices rose. Interestingly, we do not observe any difference in expenditure increases between high and low-income households, suggesting that the latter were disproportionately affected by the tax. After the repeal of the tax, we do not observe any significant decline in consumption. On the contrary, there was an overall increase in consumption for certain products, prompting concerns about unintended consequences resulting from the brief implementation of the tax.

One-dimensional Mott insulators can be described using the sine-Gordon model, an integrable quantum field theory that provides the low-energy effective description of several one-dimensional gapped condensed matter systems, including recent realizations with trapped ultra-cold atoms. Employing the theory of Generalized Hydrodynamics, we demonstrate that this model exhibits separation of the transport of topological charge vs. energy. Analysis of the quasiparticle dynamics reveals that the mechanism behind the separation is the reflective scattering between topologically charged kinks/antikinks. The effect of these scattering events is most pronounced at strong coupling and low temperatures, where the distribution of quasiparticles is narrow compared to the reflective scattering amplitude. This effect results in a distinctively shaped "arrowhead" light cone for the topological charge., Comment: 19 pages, 16 figures

Based on previous work, we assess the use of NIR-HSI images for calibrating models on two datasets, focusing on protein content regression and grain variety classification. Limited reference data for protein content is expanded by subsampling and associating it with the bulk sample. However, this method introduces significant biases due to skewed leptokurtic prediction distributions, affecting both PLS-R and deep CNN models. We propose adjustments to mitigate these biases, improving mean protein reference predictions. Additionally, we investigate the impact of grain-to-background ratios on both tasks. Higher ratios yield more accurate predictions, but including lower-ratio images in calibration enhances model robustness for such scenarios., Comment: 19 pages, 17 figures

Conventional hydrodynamics describes systems with few long-lived excitations. In one dimension, however, many experimentally relevant systems feature a large number of long-lived excitations even at high temperature, because they are proximate to integrable limits. Such models cannot be treated using conventional hydrodynamics. The framework of generalized hydrodynamics (GHD) was recently developed to treat the dynamics of one-dimensional models: it combines ideas from integrability, hydrodynamics, and kinetic theory to come up with a quantitative theory of transport. GHD has successfully settled several longstanding questions about one-dimensional transport; it has also been leveraged to study dynamical questions beyond the transport of conserved quantities, and to systems that are not integrable. In this article we introduce the main ideas and predictions of GHD, survey some of the most recent theoretical extensions and experimental tests of the GHD framework, and discuss some open questions in transport that the GHD perspective might elucidate., Comment: 16 pages, 5 figures, perspective article, feedback is welcome

This paper explores the potential application of quantum and hybrid quantum-classical neural networks in power flow analysis. Experiments are conducted using two datasets based on 4-bus and 33-bus test systems. A systematic performance comparison is also conducted among quantum, hybrid quantum-classical, and classical neural networks. The comparison is based on (i) generalization ability, (ii) robustness, (iii) training dataset size needed, (iv) training error, and (v) training process stability. The results show that the developed hybrid quantum-classical neural network outperforms both quantum and classical neural networks, and hence can improve deep learning-based power flow analysis in the noisy-intermediate-scale quantum (NISQ) and fault-tolerant quantum (FTQ) era., Comment: 8 pages, 13 figures

We present a campaign designed to train the GRANDMA network and its infrastructure to follow up on transient alerts and detect their early afterglows. In preparation for O4 II campaign, we focused on GRB alerts as they are expected to be an electromagnetic counterpart of gravitational-wave events. Our goal was to improve our response to the alerts and start prompt observations as soon as possible to better prepare the GRANDMA network for the fourth observational run of LIGO-Virgo-Kagra (which started at the end of May 2023), and future missions such as SM. To receive, manage and send out observational plans to our partner telescopes we set up dedicated infrastructure and a rota of follow-up adcates were organized to guarantee round-the-clock assistance to our telescope teams. To ensure a great number of observations, we focused on Swift GRBs whose localization errors were generally smaller than the GRANDMA telescopes' field of view. This allowed us to bypass the transient identification process and focus on the reaction time and efficiency of the network. During 'Ready for O4 II', 11 Swift/INTEGRAL GRB triggers were selected, nine fields had been observed, and three afterglows were detected (GRB 220403B, GRB 220427A, GRB 220514A), with 17 GRANDMA telescopes and 17 amateur astronomers from the citizen science project Kilonova-Catcher. Here we highlight the GRB 220427A analysis where our long-term follow-up of the host galaxy allowed us to obtain a photometric redshift of $z=0.82\pm0.09$, its lightcurve elution, fit the decay slope of the afterglows, and study the properties of the host galaxy.

The ability to manipulate the space-time structure of light waves diversifies light-matter interaction and light-driven applications. Conventionally, metasurfaces are employed to locally control the amplitude and phase of light fields by the material response and structure of small meta-atoms. However, the fixed spatial structures of metasurfaces offer limited opportunities. Here, using quantum control we introduce a new approach that enables the amplitude, sign, and even configuration of the generated light fields to be manipulated in an all-optical manner. Following this approach, we demonstrate the generation of flying doughnut terahertz (THz) pulses. We show that the single-cycle THz pulse radiated from the dynamic semiconductor ring current has an electric field structure that is azimuthally polarized and that the space- and time-resolved magnetic field has a strong, isolated longitudinal component. As a first application, we detect absorption features from ambient water vapor on the spatiotemporal structure of the measured electric fields and the calculated magnetic fields. Quantum control is a powerful and flexible route to generating any structured light pulse in the THz range, while pulse compression of cylindrical vector beams is available for very high-power magnetic-pulse generation from the mid-infrared to near UV spectral region. Pulses such as these will serve as unique probes for spectroscopy, imaging, telecommunications, and magnetic materials.

Purpose: Field-to-susceptibility inversion in quantitative susceptibility mapping (QSM) is ill-posed and needs numerical stabilization through either regularization or oversampling by acquiring data at three or more object orientations. Calculation Of Susceptibility through Multiple Orientations Sampling (COSMOS) is an established oversampling approach and regarded as QSM gold standard. It achieves a well-conditioned inverse problem, requiring rotations by 0{\deg}, 60{\deg} and 120{\deg} in the yz-plane. However, this is impractical in vivo, where head rotations are typically restricted to a range of +-25{\deg}. Non-ideal sampling degrades the conditioning with residual streaking artifacts whose mitigation needs further regularization. Moreover, susceptibility anisotropy in white matter is not considered in the COSMOS model, which may introduce additional bias. The current work presents a thorough investigation of these effects in primate brain. Methods: Gradient-recalled echo (GRE) data of an entire fixed chimpanzee brain were acquired at 7 T (350 microns resolution, 10 orientations) including ideal COSMOS sampling and realistic rotations in vivo. Comparisons of the results included ideal COSMOS, in-vivo feasible acquisitions with 3-8 orientations and single-orientation iLSQR QSM. Results: In-vivo feasible and optimal COSMOS yielded high-quality susceptibility maps with increased SNR resulting from averaging multiple acquisitions. COSMOS reconstructions from non-ideal rotations about a single axis required additional L2-regularization to mitigate residual streaking artifacts. Conclusion: In view of unconsidered anisotropy effects, added complexity of the reconstruction, and the general challenge of multi-orientation acquisitions, advantages of sub-optimal COSMOS schemes over regularized single-orientation QSM appear limited in in-vivo settings., Comment: Text: 2593 words (without legends, references and statements) Abstract: 239 words References: 33 Figures: 4 Tables: 1

A polarization-sensitive optical coherence tomography (PS-OCT) system is able to not only show the structure of samples through the analysis of backscattered light, but is also capable of determining their polarimetric properties. This is an extra functionality to OCT which allows the retardance and axis orientation of a bulk sample to be determined. Here, we describe the temperature instabilities of a depth-encoded, multiple input state PS-OCT system, where two waves corresponding to two orthogonal states in the interrogating beam are delayed using a 5-meter long polarization-maintaning (PM) fiber. It is shown that the temperature not only affects the delay between the two relatively delayed waves, but also the amount of mismatched dispersion in the interferometer, which ultimately affects the achievable axial resolution in the system. To this end, the technique of complex master/slave interferometry (CMSI) can be used as an option to mitigate this effect., Comment: The first two authors contributed equally to this work

The chemical enrichment of dust and metals in the interstellar medium (ISM) of galaxies throughout cosmic time is one of the key driving processes of galaxy evolution. Here we study the evolution of the gas-phase metallicities, dust-to-gas (DTG), and dust-to-metal (DTM) ratios of 36 star-forming galaxies at $1.7 < z < 6.3$ probed by gamma-ray bursts (GRBs). We compile all GRB-selected galaxies with intermediate (R=7000) to high (R>40,000) resolution spectroscopic data for which at least one refractory (e.g. Fe) and one volatile (e.g. S or Zn) element have been detected at S/N>3. This is to ensure that accurate abundances and dust depletion patterns can be obtained. We first derive the redshift evolution of the dust-corrected, absorption-line based gas-phase metallicity [M/H]$_{\rm tot}$ in these galaxies, for which we determine a linear relation with redshift ${\rm [M/H]_{tot}}(z) = (-0.21\pm 0.04)z -(0.47\pm 0.14)$. We then examine the DTG and DTM ratios as a function of redshift and through three orders of magnitude in metallicity, quantifying the relative dust abundance both through the direct line-of-sight visual extinction $A_V$ and the derived depletion level. We use a novel method to derive the DTG and DTM mass ratios for each GRB sightline, summing up the mass of all the depleted elements in the dust-phase. We find that the DTG and DTM mass ratios are both strongly correlated with the gas-phase metallicity and show a mild evolution with redshift as well. While these results are subject to a variety of caveats related to the physical environments and the narrow pencil-beam sightlines through the ISM probed by the GRBs, they provide strong implications for studies of dust masses to infer the gas and metal content of high-redshift galaxies, and particularly demonstrate the large offset from the average Galactic value in the low-metallicity, high-redshift regime., Comment: Accepted in A&A

We present an analysis of microlensing event OGLE-2019-BLG-0825. This event was identified as a planetary candidate by preliminary modeling. We find that significant residuals from the best-fit static binary-lens model exist and a xallarap effect can fit the residuals very well and significantly improves $\chi^2$ values. On the other hand, by including the xallarap effect in our models, we find that binary-lens parameters like mass-ratio, $q$, and separation, $s$, cannot be constrained well. However, we also find that the parameters for the source system like the orbital period and semi major axis are consistent between all the models we analyzed. We therefore constrain the properties of the source system better than the properties of the lens system. The source system comprises a G-type main-sequence star orbited by a brown dwarf with a period of $P\sim5$ days. This analysis is the first to demonstrate that the xallarap effect does affect binary-lens parameters in planetary events. It would not be common for the presence or absence of the xallarap effect to affect lens parameters in events with long orbital periods of the source system or events with transits to caustics, but in other cases, such as this event, the xallarap effect can affect binary-lens parameters., Comment: 19 pages, 7 figures, 6 tables. Accepted by AJ

Container shipping drives the global economy and is an eco-friendly mode of transportation. A key objective is to maximize the utilization of vessels, which is challenging due to the NP-hardness of stowage planning. This article surveys the literature on the Container Stowage Planning Problem (CSPP). We introduce a classification scheme to analyze single-port and multi-port CSPPs, as well as the hierarchical decomposition of CSPPs into the master and slot planning problem. Our survey shows that the area has a relatively small number of publications and that it is hard to evaluate the industrial applicability of many of the proposed solution methods due to the oversimplification of problem formulations. To address this issue, we propose a research agenda with directions for future work, including establishing a representative problem definition and providing new benchmark instances where needed.

Let $X_1,X_2,...$ be the digits in the base-$q$ expansion of a random variable $X$ defined on $[0,1)$ where $q\ge2$ is an integer. For $n=1,2,...$, we study the probability distribution $P_n$ of the (scaled) remainder $T^n(X)=\sum_{k=n+1}^\infty X_k q^{n-k}$: If $X$ has an absolutely continuous CDF then $P_n$ converges in the total variation metric to the Lebesgue measure $\mu$ on the unit interval. Under weak smoothness conditions we establish first a coupling between $X$ and a non-negative integer valued random variable $N$ so that $T^N(X)$ follows $\mu$ and is independent of $(X_1,...,X_N)$, and second exponentially fast convergence of $P_n$ and its PDF $f_n$. We discuss how many digits are needed and show examples of our results. The convergence results are extended to the case of a multivariate random variable defined on a unit cube., Comment: 22 pages, 3 figures

The observation of X-rays during quiescence from transiently accreting neutron stars provides unique clues about the nature of dense matter. This, however, requires extensive modeling of the crusts and matching the results to observations. The pycnonuclear fusion reaction rates implemented in these models are theoretically calculated by extending phenomenological expressions and have large uncertainties spanning many orders of magnitude. We present the first sensitivity studies of these pycnonuclear fusion reactions in realistic network calculations. We also couple the reaction network with the thermal evolution code dStar to further study their impact on the neutron star cooling curves in quiescence. Varying the pycnonuclear fusion reaction rates alters the depth at which nuclear heat is deposited although the total heating remains constant. The enhancement of the pycnonuclear fusion reaction rates leads to an overall shallower deposition of nuclear heat. The impurity factors are also altered depending on the type of ashes deposited on the crust. These total changes correspond to a variation of up to 9 eV in the modeled cooling curves. While this is not sufficient to explain the shallow heat source, it is comparable to the observational uncertainties and can still be important for modeling the neutron star crust., Comment: AASTeX63, 11 pages with 9 figures

In the absence of a complete theory of quantum gravity, phenomenological models built upon minimal assumptions have been explored for the analysis of possible quantum effects in gravitational systems. Implications of a superposition of geometries have been considered in such models, including the occurrence of processes with indefinite order. In a gravitational quantum switch, in particular, the order of operations applied by two agents on a target system is entangled with the state of the geometry. We consider a model describing the superposition of geometries produced by distinct arrangements of spherical mass shells, and show that a protocol for the implementation of a gravitational quantum switch can be formulated in such a system. The geometries in superposition are identical in an exterior region outside a given radius, and differ within such a radius. The exterior region provides a classical frame from which the superposition of geometries in the interior region can be probed. One of the agents crosses the interior region and becomes entangled with the geometry, which is explored as a resource for the implementation of the quantum switch. Novel features of the protocol include the superposition of nonisometric geometries, the existence of a region with a definite geometry, and the fact that the agent that experiences the superposition of geometries is in free fall, preventing information on the global geometry to be obtained from within its laboratory., Comment: 25 pages, 5 figures. Updated abstract

Ultra-low temperature (ULT) freezers store perishable bio-contents and have high energy consumption, which highlight a demand for reliable methods for intelligent surveillance and smart energy management. This study introduces a novel grey-box modelling approach based on stochastic differential equations to describe the heat dynamics of the ULT freezing chambers. The proposed modelling approach only requires temperature data measured by the embedded sensors and uses data from the regular operation periods for model identification. The model encompasses three states: chamber temperature, envelope temperature, and local evaporator temperature. Special attention is given to the local evaporator temperature state, which is modelled as a time-variant system, to characterize the time delay and dynamic variations in cooling intensity. Two ULT freezers with different operational patterns are modelled. The unknown model parameters are estimated using the maximum likelihood method. The results demonstrate that the models can accurately predict the chamber temperature measured by the control probe (RMSE < 0.19 {\deg}C) and are promising to be applied for forecasting future states. In addition, the model for local evaporator temperature can effectively adapt to different operational patterns and provide insight into the local cooling supply status. The proposed approach greatly promotes the practical feasibility of grey-box modelling of the heat dynamics for ULT freezers and can serve several potential digital applications. A major limitation of the modelling approach is the low identifiability, which can potentially be addressed by inferring model parameters based on relative parameter changes.

Hierarchical Bayesian models of perception and learning feature prominently in contemporary cognitive neuroscience where, for example, they inform computational concepts of mental disorders. This includes predictive coding and hierarchical Gaussian filtering (HGF), which differ in the nature of hierarchical representations. Predictive coding assumes that higher levels in a given hierarchy influence the state (value) of lower levels. In HGF, however, higher levels determine the rate of change at lower levels. Here, we extend the space of generative models underlying HGF to include a form of nonlinear hierarchical coupling between state values akin to predictive coding and artificial neural networks in general. We derive the update equations corresponding to this generalization of HGF and conceptualize them as connecting a network of (belief) nodes where parent nodes either predict the state of child nodes or their rate of change. This enables us to (1) create modular architectures with generic computational steps in each node of the network, and (2) disclose the hierarchical message passing implied by generalized HGF models and to compare this to comparable schemes under predictive coding. We find that the algorithmic architecture instantiated by the generalized HGF is largely compatible with that of predictive coding but extends it with some unique predictions which arise from precision and volatility related computations. Our developments enable highly flexible implementations of hierarchical Bayesian models for empirical data analysis and are available as open source software.

In situations with non-manipulable exposures, interventions can be targeted to shift the distribution of intermediate variables between exposure groups to define interventional disparity indirect effects. In this work, we present a theoretical study of identification and nonparametric estimation of the interventional disparity indirect effect among the exposed. The targeted estimand is intended for applications examining the outcome risk among an exposed population for which the risk is expected to be reduced if the distribution of a mediating variable was changed by a (hypothetical) policy or health intervention that targets the exposed population specifically. We derive the nonparametric efficient influence function, study its double robustness properties and present a targeted minimum loss-based estimation (TMLE) procedure. All theoretical results and algorithms are provided for both uncensored and right-censored survival outcomes. With offset in the ongoing discussion of the interpretation of non-manipulable exposures, we discuss relevant interpretations of the estimand under different sets of assumptions of no unmeasured confounding and provide a comparison of our estimand to other related estimands within the framework of interventional (disparity) effects. Small-sample performance and double robustness properties of our estimation procedure are investigated and illustrated in a simulation study., Comment: 35 pages, 1 figure