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The Jacob's ladder of density functional theory (DFT) proposes the compelling view that by extending the form of successful approximations -- being guided by exact conditions and selected (least empirical) norms -- upper rungs will do better than the lower, thus allowing to balance accuracy and computational effort. Meta-generalized-gradient-approximations (MGGA) belong to the last rung of the semi-local approximations before hybridization with non-local wave function theories. The performance of MGGAs on {\em non} magnetic systems greatly improves upon that of GGAs from the lower rung. Instead, failures of MGGAs on magnetic materials are daunting and make GGAs more reliable for magnetism. This raises the question as to whether consistent improvements can be achieved for magnetism along the lines of the Jacob's ladder. Here, we present a solution from first principles: departing from the standard approach (i.e. collinear spin-DFT), we exploit the U(1)$\times$SU(2) gauge symmetry of the exact functional of spin-current-DFT to access an extended set of building blocks for approximations. Crucially, this allows us to treat broken symmetry ferromagnetic and antiferromagnetic states. For these states, we derive a collinear MGGA that performs well for prototypical magnets and make it available in an implementation in the \textsc{Crystal} electronic structure package.

This is an index of the contributions by the Giant Radio Array for Neutrino Detection (GRAND) Collaboration to the 10th International Workshop on Acoustic and Radio EeV Neutrino Detection Activities (ARENA 2024, University of Chicago, June 11-14, 2024). The contributions include an overview of GRAND in its present and future incarnations, methods of radio-detection that are being developed for them, and ongoing joint work between the GRAND and BEACON experiments., Comment: Note: To access the list of contributions, please follow the "HTML" link that can be found on the arXiv page

The operation of upcoming ultra-high-energy cosmic-ray, gamma-ray, and neutrino radio-detection experiments, like the Giant Radio Array for Neutrino Detection (GRAND), poses significant computational challenges involving the production of numerous simulations of particle showers and their detection, and a high data throughput. GRANDlib is an open-source software tool designed to meet these challenges. Its primary goal is to perform end-to-end simulations of the detector operation, from the interaction of ultra-high-energy particles, through -- by interfacing with external air-shower simulations -- the ensuing particle shower development and its radio emission, to its detection by antenna arrays and its processing by data-acquisition systems. Additionally, GRANDlib manages the visualization, storage, and retrieval of experimental and simulated data. We present an overview of GRANDlib to serve as the basis of future GRAND analyses., Comment: 11 pages, 9 figures, plus appendices

We introduce a class of probabilistic theories where the dynamics of each system is limited to the minimal set of operations consistent with the set of states and allowing for conditional tests. We show that almost all minimal theories with conditioning satisfy two quantum no-go theorems: no-information without disturbance and no-broadcasting. As a relevant example, we construct a minimal toy-theory with conditioning where all systems are classical. The theory does not have incompatible measurements nor preparation uncertainty relations, and it is Kochen-Specker noncontextual, and at the same time it exhibits irreversibility of measurement disturbance, no-information without disturbance and no-broadcasting. This proves that the latter three properties cannot be understood $per se$ as signatures of non-classicality., Comment: 30+10 pages; no figures, lots of diagrams

Tomographic locality is a principle commonly used in the program of finding axioms that pick out quantum theory within the landscape of possible theories. The principle asserts the sufficiency of local measurements for achieving a tomographic characterization of any bipartite state. In this work, we explore the meaning of the principle of tomographic locality by developing a simple scheme for generating a wide variety of theories that violate the principle. In this scheme, one starts with a tomographically local theory -- which can be classical, quantum or post-quantum -- and a physical symmetry, and one restricts the processes in the theory to all and only those that are covariant with respect to that symmetry. We refer to the resulting theories as twirled worlds. We show that failures of tomographic locality are ubiquitous in twirled worlds. From the possibility of such failures in classical twirled worlds, we argue that the failure of tomographic locality (i.e., tomographic nonlocality) does not imply ontological holism. Our results also demonstrate the need for researchers seeking to axiomatize quantum theory to take a stand on the question of whether there are superselection rules that have a fundamental status., Comment: 5+12 pages, 2 figures. Comments welcome!

Liquid Marbles are liquid droplets encapsulated by hydrophobic powder particles. They offer an efficient approach to handling liquids due to their non-wetting nature. In this work, starting from the interaction gate proposed in the literature, we describe how the logic gates AND, XOR, OR, NOT, NAND, and NOR could be realized. Given the irreversibility and non-conservativeness of classical gates, we also discuss a possible implementation of the Toffoli gate, a reversible gate, and of the Fredkin gate, a reversible and conservative gate.

Understanding of bonding is key to modelling materials and predicting properties thereof. A widely adopted indicator of bonds and atomic shells is the electron localization function (ELF). The building blocks of the ELF are also used in the construction of modern density functional approximations. Here we demonstrate that the ELF breaks down when applied beyond regular non-relativistic quantum states. We show that for tackling general non-collinear open-shell solutions, it is essential to address both the U(1) gauge invariance -- i.e., invariance under a multiplication by a position dependent phase factor -- and SU(2) gauge invariance -- i.e. invariance under local spin rotations -- {\em conjointly}. Remarkably, we find that the extended ELF also improves the description of paradigmatic collinear states., Comment: 4 figures

The Sherrington-Kirkpatrick (SK) model is a prototype of a complex non-convex energy landscape. Dynamical processes evolving on such landscapes and locally aiming to reach minima are generally poorly understood. Here, we study quenches, i.e. dynamics that locally aim to decrease energy. We analyse the energy at convergence for two distinct algorithmic classes, single-spin flip and synchronous dynamics, focusing on greedy and reluctant strategies. We provide precise numerical analysis of the finite size effects and conclude that, perhaps counter-intuitively, the reluctant algorithm is compatible with converging to the ground state energy density, while the greedy strategy is not. Inspired by the single-spin reluctant and greedy algorithms, we investigate two synchronous time algorithms, the sync-greedy and sync-reluctant algorithms. These synchronous processes can be analysed using dynamical mean field theory (DMFT), and a new backtracking version of DMFT. Notably, this is the first time the backtracking DMFT is applied to study dynamical convergence properties in fully connected disordered models. The analysis suggests that the sync-greedy algorithm can also achieve energies compatible with the ground state, and that it undergoes a dynamical phase transition.

The Hubble Space Telescope has devoted 500 orbits to observing 250 massive stars with low metallicity in the ultraviolet (UV) range within the framework of the ULLYSES program. The X-Shooting ULLYSES (XShootU) project enhances the legacy value of this UV dataset by providing high-quality optical and near-infrared spectra, which are acquired using the wide-wavelength-coverage X-shooter spectrograph at ESO's Very Large Telescope. XShootU emphasises the importance of combining UV with optical spectra for the consistent determination of key stellar parameters such as effective temperature, surface gravity, luminosity, abundances, and wind characteristics including mass-loss rates as a function of metallicity. Since uncertainties in these parameters have implications across various branches of astrophysics, the data and modelling generated by the XShootU project are poised to significantly advance our understanding of massive stars at low metallicity. This is particularly crucial for confidently interpreting JWST data of the earliest stellar generations, making XShootU a unique resource for comprehending individual spectra of low-metallicity stars., Comment: 6 pages, 6 figures. ESO Large Programme Overview

The prominence of density functional theory (DFT) in the field of electronic structure computation stems from its ability to usefully balance accuracy and computational effort. At the base of this ability is a functional of the electron density: the exchange-correlation energy. This functional satisfies known exact conditions that guide the derivation of approximations. The strongly-constrained-appropriately-normed (SCAN) approximation stands out as a successful, modern, example. In this work, we demonstrate how the SU(2) gauge-invariance of the exchange-correlation functional in spin current density functional theory allows us to add an explicit dependence on spin currents in the SCAN functional (here called JSCAN) -- and similar meta-generalized-gradient functional approximations -- solely invoking first principles. In passing, a spin-current dependent generalization of the electron localization function (here called JELF) is also derived. The extended forms are implemented in a developer's version of the \textsc{Crystal23} program. Applications on molecules and materials confirm the practical relevance of the extensions., Comment: Accepted for publication in Physical Review Letters

Spin-current density functional theory (SCDFT) is a formally exact framework designed to handle the treatment of interacting many-electron systems including spin-orbit coupling at the level of the Pauli equation. In practice, robust and accurate calculations of the electronic structure of these systems call for functional approximations that depend not only on the densities, but also on spin-orbitals. Here we show that the call can be answered by resorting to an extension of the Kohn-Sham formalism, which admits the use of non-local effective potentials, yet it is firmly rooted in SCDFT. The power of the extended formalism is demonstrated by calculating the spin-orbit-induced band-splittings of inversion-asymmetric MoSe$_2$ monolayer and inversion-symmetric bulk $\alpha$-MoTe$_2$. We show that quantitative agreement with experimental data is obtainable via global hybrid approximations by setting the fraction of Fock exchange at the same level which yields accurate values of the band gap. Key to these results is the ability of the method to self-consistently account for the spin currents induced by the spin-orbit interaction. The widely used method of refining spin-density functional theory by a second-variational treatment of spin-orbit coupling is unable to match our SCDFT results., Comment: 12 pages, 3 figures

Massive star winds are structured both stochastically ("clumps") and often coherently (Co-rotation Interaction Regions, or CIRs). Evidence for CIRs threading the winds of Wolf-Rayet (WR) stars arises from multiple diagnostics including linear polarimetry. Some observations indicate changes in polarization position angle across optical recombination emission lines from a WR star wind but limited to blueshifted Doppler velocities. We explore a model involving a spherical wind with a single conical CIR stemming from a rotating star as qualitative proof-of-concept. To obtain a realistic distribution of limb polarization and limb darkening across the pseudo-photosphere formed in the optically thick wind of a WR star, we used Monte Carlo radiative transfer (MCRT). Results are shown for a parameter study. For line properties similar to WR 6 (EZ CMa; HD 50896), the combination of the MCRT results, a simple model for the CIR, and the Sobolev approximation for the line formation, we were able to reproduce variations in both polarization amplitude and position angle commensurate with observations. Characterizing CIRs in WR~winds has added importance for providing stellar rotation periods since the v sin i values are unobtainable because the pseudo-photosphere forms in the wind itself., Comment: This is a pre-copyedited, author-produced PDF of an article accepted for publication in MNRAS following peer review

These lectures, presented at the 2022 Les Houches Summer School on Statistical Physics and Machine Learning, focus on the infinite-width limit and large-width regime of deep neural networks. Topics covered include various statistical and dynamical properties of these networks. In particular, the lecturers discuss properties of random deep neural networks; connections between trained deep neural networks, linear models, kernels, and Gaussian processes that arise in the infinite-width limit; and perturbative and non-perturbative treatments of large but finite-width networks, at initialization and after training., Comment: These are notes from lectures delivered by Yasaman Bahri and Boris Hanin at the 2022 Les Houches Summer School on Statistics Physics and Machine Learning and a first version of them were transcribed by Antonin Brossollet, Vittorio Erba, Christian Keup, Rosalba Pacelli, James B. Simon

The semi-regular variable star V Canum Venaticorum (V CVn) is well-known for its unusual linear polarization position angle (PA). Decades of observing V CVn reveal a nearly constant PA spanning hundreds of pulsation cycles. This phenomenon has persisted through variability that has ranged by 2 magnitudes in optical brightness and through variability in the polarization amplitude over 0.3% and 6.9%. Additionally, the polarization fraction of V CVn varies inversely with brightness. This paper presents polarization measurements obtained over three pulsation cycles. We find that the polarization maximum does not always occur precisely at the same time as the brightness minimum. Instead, we observe a small lead or lag in relation to the brightness minimum, spanning a period of a few days up to three weeks. Furthermore, the PA sometimes exhibits a non-negligible rotation, especially at lower polarization levels. To elucidate the unusual optical behavior of V CVn, we present a list of literature sources that also exhibit polarization variability with a roughly fixed PA. We find this correlation occurs in stars with high tangential space velocities, i.e., "runaway" stars, suggesting that the long-term constant PA is related to how the circumstellar gas is shaped by the star's high-speed motion through the interstellar medium., Comment: 9 pages + appendices, 7 figures, accepted for publication in A&A

Analytical gradients of the total energy are provided for local density and generalized-gradient hybrid approximations to generalized Kohn-Sham spin-current density functional theory (SCDFT). It is shown that gradients may be determined analytically, in a two-component framework, including spin-orbit coupling (SOC), with high accuracy. We demonstrate that renormalization of the electron-electron potential by SOC-induced spin-currents can account for considerable modification of crystal structures. In the case of Iodine-based molecular crystals, the effect may amount to more than half of the total modification of the structure by SOC. Such effects necessitate an SCDFT, rather than DFT, formulation, in which exchange-correlation functionals are endowed with an explicit dependence on spin-current densities. An implementation is presented in the \textsc{Crystal} program.

We study robust linear regression in high-dimension, when both the dimension $d$ and the number of data points $n$ diverge with a fixed ratio $\alpha=n/d$, and study a data model that includes outliers. We provide exact asymptotics for the performances of the empirical risk minimisation (ERM) using $\ell_2$-regularised $\ell_2$, $\ell_1$, and Huber losses, which are the standard approach to such problems. We focus on two metrics for the performance: the generalisation error to similar datasets with outliers, and the estimation error of the original, unpolluted function. Our results are compared with the information theoretic Bayes-optimal estimation bound. For the generalization error, we find that optimally-regularised ERM is asymptotically consistent in the large sample complexity limit if one perform a simple calibration, and compute the rates of convergence. For the estimation error however, we show that due to a norm calibration mismatch, the consistency of the estimator requires an oracle estimate of the optimal norm, or the presence of a cross-validation set not corrupted by the outliers. We examine in detail how performance depends on the loss function and on the degree of outlier corruption in the training set and identify a region of parameters where the optimal performance of the Huber loss is identical to that of the $\ell_2$ loss, offering insights into the use cases of different loss functions.

The core of Heisenberg's heuristic argument for the uncertainty principle, involving the famous $\gamma$-ray microscope $\textit{Gedankenexperiment}$, hinges upon the existence of measurements that irreversibly alter the state of the system on which they are acting, causing an irreducible disturbance on subsequent measurements. The argument was put forward to justify measurement incompatibility in quantum theory, namely, the existence of measurements that cannot be performed jointly$-$a feature that is now understood to be different from irreversibility of measurement disturbance, though related to it. In this article, on the one hand, we provide a compelling argument showing that measurement incompatibility is indeed a sufficient condition for irreversibility of measurement disturbance; while, on the other hand, we exhibit a toy theory, termed the minimal classical theory (MCT), that is a counterexample for the converse implication. This theory is classical, hence it does not have complementarity nor preparation uncertainty relations, and it is both Kochen-Specker and generalised noncontextual. However, MCT satisfies not only irreversibility of measurement disturbance, but also the properties of no-information without disturbance and no-broadcasting, implying that these cannot be understood $\textit{per se}$ as signatures of nonclassicality., Comment: 6+9 pages; no figures, lots of diagrams

Observations of individual massive stars, super-luminous supernovae, gamma-ray bursts, and gravitational-wave events involving spectacular black-hole mergers, indicate that the low-metallicity Universe is fundamentally different from our own Galaxy. Many transient phenomena will remain enigmatic until we achieve a firm understanding of the physics and evolution of massive stars at low metallicity (Z). The Hubble Space Telescope has devoted 500 orbits to observe 250 massive stars at low Z in the ultraviolet (UV) with the COS and STIS spectrographs under the ULLYSES program. The complementary ``X-Shooting ULLYSES'' (XShootU) project provides enhanced legacy value with high-quality optical and near-infrared spectra obtained with the wide-wavelength coverage X-shooter spectrograph at ESO's Very Large Telescope. We present an overview of the XShootU project, showing that combining ULLYSES UV and XShootU optical spectra is critical for the uniform determination of stellar parameters such as effective temperature, surface gravity, luminosity, and abundances, as well as wind properties such as mass-loss rates in function of Z. As uncertainties in stellar and wind parameters percolate into many adjacent areas of Astrophysics, the data and modelling of the XShootU project is expected to be a game-changer for our physical understanding of massive stars at low Z. To be able to confidently interpret James Webb Space Telescope (JWST) spectra of the first stellar generations, the individual spectra of low Z stars need to be understood, which is exactly where XShootU can deliver., Comment: Accepted in A&A - 35 Pages, 12 Figures, 4 Tables, 2 Large Tables

The winds of massive stars have an impact on stellar evolution and on the surrounding medium. The maximum speed reached by these outflows, the terminal wind speed, is a global wind parameter and an essential input for models of stellar atmospheres and feedback. With the arrival of the ULLYSES programme, a legacy UV spectroscopic survey with HST, we have the opportunity to quantify the wind speeds of massive stars at sub-solar metallicity (in the Large and Small Magellanic Clouds, 0.5Z and 0.2Z) at an unprecedented scale. We empirically quantify the wind speeds of a large sample of OB stars, including supergiants, giants, and dwarfs at sub-solar metallicity. Using these measurements, we investigate trends of terminal wind speed with a number of fundamental stellar parameters, namely effective temperature, metallicity, and surface escape velocity. We empirically determined the terminal wind speed for a sample of 149 OB stars in the Magellanic Clouds either by directly measuring the maximum velocity shift of the absorption component of the Civ 1548-1550 line profile, or by fitting synthetic spectra produced using the Sobolev with exact integration method. Stellar parameters were either collected from the literature, obtained using spectral-type calibrations, or predicted from evolutionary models. We find strong trends of terminal wind speed with effective temperature and surface escape speed when the wind is strong enough to cause a saturated P Cygni profile in Civ 1548-1550. We find evidence for a metallicity dependence on the terminal wind speed proportional to Z^0.22+-0.03 when we compared our results to previous Galactic studies. Our results suggest that effective temperature rather than surface escape speed should be used as a straightforward empirical prediction of terminal wind speed and that the observed metallicity dependence is steeper than suggested by earlier works., Comment: 21 pages, 16 figures, 8 tables. Accepted in A&A

We study the maximum-average submatrix problem, in which given an $N \times N$ matrix $J$ one needs to find the $k \times k$ submatrix with the largest average of entries. We study the problem for random matrices $J$ whose entries are i.i.d. random variables by mapping it to a variant of the Sherrington-Kirkpatrick spin-glass model at fixed magnetization. We characterize analytically the phase diagram of the model as a function of the submatrix average and the size of the submatrix $k$ in the limit $N\to\infty$. We consider submatrices of size $k = m N$ with $0 < m < 1$. We find a rich phase diagram, including dynamical, static one-step replica symmetry breaking and full-step replica symmetry breaking. In the limit of $m \to 0$, we find a simpler phase diagram featuring a frozen 1-RSB phase, where the Gibbs measure is composed of exponentially many pure states each with zero entropy. We discover an interesting phenomenon, reminiscent of the phenomenology of the binary perceptron: there exist efficient algorithms that provably work in the frozen 1-RSB phase.

The origin of the observed population of Wolf-Rayet (WR) stars in low-metallicity (low-Z) galaxies, such as the Small Magellanic Cloud (SMC), is not yet understood. Standard, single-star evolutionary models predict that WR stars should stem from very massive O-type star progenitors, but these are very rare. On the other hand, binary evolutionary models predict that WR stars could originate from primary stars in close binaries. We conduct an analysis of the massive O star, AzV 14, to spectroscopically determine its fundamental and stellar wind parameters, which are then used to investigate evolutionary paths from the O-type to the WR stage with stellar evolutionary models. Multi-epoch UV and optical spectra of AzV 14 are analyzed using the non-LTE stellar atmosphere code PoWR. An optical TESS light curve was extracted and analyzed using the PHOEBE code. The obtained parameters are put into an evolutionary context, using the MESA code. AzV 14 is a close binary system consisting of two similar main sequence stars with masses of 32 Msol. Both stars have weak stellar winds with mass-loss rates of log $\dot{M}$ = -7.7. Binary evolutionary models can explain the empirically derived stellar and orbital parameters. The model predicts that the primary will evolve into a WR star with T = 100 kK, while the secondary, which will accrete significant amounts of mass during the first mass transfer phase, will become a cooler WR star with T = 50 kK and are predicted to have compared to other WR stars increased oxygen abundances. This model prediction is supported by a spectroscopic analysis of a WR star in the SMC. We hypothesize that the populations of WR stars in low-Z galaxies may have bimodal temperature distributions. Hotter WR stars might originate from primary stars, while cooler WR stars are the evolutionary descendants of the secondary stars if they accreted a significant amount of mass., Comment: 21 pages (13 main body + 8 appendix), 16 figures, 9 tables

In the framework of density functional theory (DFT) simulations of molecules and materials, anharmonic terms of the potential energy surface are commonly computed numerically, with an associated cost that rapidly increases with the size of the system. Recently, an efficient approach to calculate cubic and quartic interatomic force constants in the basis of normal modes [Theor. Chem. Acc., 120, 23 (2008)] was implemented in the Crystal program [J. Chem. Theory Comput., 15, 3755-3765 (2019)]. By applying group theory, we are able to further reduce the associated computational cost, as the exploitation of point symmetry can significantly reduce the number of distinct atomically displaced nuclear configurations to be explicitly explored for energy and forces calculations. Our strategy stems from Wigner's theorem and the fact that normal modes are bases of the irreducible representations (irreps) of the point group. The proposed group theoretical approach is implemented in the Crystal program and its efficiency assessed on six test case systems: four molecules (methane, CH4; tetrahedrane, C4H4; cyclo-exasulfur, S6; cubane, C8H8), and two three-dimensional crystals (Magnesium oxide, MgO; and a prototypical Zinc-imidazolate framework, ZIF-8). The speedup imparted by this approach is consistently very large in all high-symmetry molecular and periodic systems, peaking at 76% for MgO.

A computational procedure is developed for the efficient calculation of derivatives of integrals over non-separable Gaussian-type basis functions, used for the evaluation of gradients of the total energy in quantum-mechanical simulations. The approach, based on symbolic computation with computer algebra systems and automated generation of optimized subroutines, takes full advantage of sparsity and is here applied to first energy derivatives with respect to nuclear displacements and lattice parameters of molecules and materials. The implementation in the \textsc{Crystal} code is presented and the considerably improved computational efficiency over the previous implementation is illustrated. To this purpose, three different tasks involving the use of analytical forces are considered: i) geometry optimization; ii) harmonic frequency calculation; iii) elastic tensor calculation. Three test case materials are selected as representatives of different classes: i) a metallic 2D model of the Cu (111) surface; ii) a wide-gap semiconductor ZnO crystal, with a wurtzite-type structure; and iii) a porous metal-organic crystal, namely the ZIF-8 Zinc-imidazolate framework. Finally, it is argued that the present symbolic approach is particularly amenable to generalizations, and its potential application to other derivatives is sketched.

A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infinite periodic systems. The scalar-relativistic periodic KS-DFT/HF solution, obtained with a relativistic effective core potential, is taken as the zeroth-order approximation. Explicit expressions are given for the total energy through 3rd-order, which satisfy the 2N + 1 rule (i.e. requiring only the 1st-order perturbed wave function for determining the energy through 3rd-order). Expressions for additional 2nd-order corrections to the perturbed wave function (as well as related one-electron properties) are worked out at the uncoupled-perturbed level of theory. The approach is implemented in the \textsc{Crystal} program and validated with calculations of the total energy, electronic band structure, and density variables of spin-current DFT on the tungsten dichalcogenide hexagonal bilayer series (i.e. WSe$_2$, WTe$_2$, WPo$_2$, WLv$_2$), including 6p and 7p elements as a stress test. The computed properties through second- or third-order match well with those from reference two-component self-consistent field (2c-SCF) calculations. For total energies, $E^{(3)}$ was found to consistently improve the agreement against the 2c-SCF reference values. For electronic band structures, visible differences w.r.t. 2c-SCF remained through second-order in only the single-most difficult case of WLv$_2$. As for density variables of spin-current DFT, the perturbed electron density, being vanishing in first-order, is the most challenging for the perturbation theory approach. The visible differences in the electron densities are, however, largest close to the core region of atoms and smaller in the valence region. Perturbed spin-current densities, on the other hand, are well reproduced in all tested cases.

The spin current density functional theory (SCDFT) is the generalization of the standard DFT to treat a fermionic system embedded in the effective external field produced by the spin-orbit coupling interaction. Even in the absence of a spin polarization, the SCDFT requires the electron-electron potential to depend on the spin currents $\mathbf{J}^x$, $\mathbf{J}^y$ and $\mathbf{J}^z$, which only recently was made possible for practical relativistic quantum-mechanical simulations [Phys. Rev. B {\bf 102}, 235118 (2020)]. Here, we apply the SCDFT to the quantum spin-Hall phase and show how it improves (even qualitatively) the description of its electronic structure relative to the DFT. We study the Bi (001) 2D bilayer and its band insulator to topological insulator phase transition (via $s+p_z \leftrightarrow p_x +ip_y$ band inversion) as a function of mechanical strain. We show that the explicit account of spin currents in the electron-electron potential of the SCDFT is key to the appearance of a Dirac cone at the $\Gamma$ point in the valence band structure at the onset of the topological phase transition. Finally, the valence band structure of this system is rationalized using a simple first-order $\mathbf{k} \cdot \mathbf{p}$ quasi-degenerate perturbation theory model., Comment: 5 pages, 2 figures

Personalized medicine is the future of medical practice. In oncology, tumor heterogeneity assessment represents a pivotal step for effective treatment planning and prognosis prediction. Despite new procedures for DNA sequencing and analysis, non-invasive methods for tumor characterization are needed to impact on daily routine. On purpose, imaging texture analysis is rapidly scaling, holding the promise to surrogate histopathological assessment of tumor lesions. In this work, we propose a tree-based representation strategy for describing intra-tumor heterogeneity of patients affected by metastatic cancer. We leverage radiomics information extracted from PET/CT imaging and we provide an exhaustive and easily readable summary of the disease spreading. We exploit this novel patient representation to perform cancer subtyping according to hierarchical clustering technique. To this purpose, a new heterogeneity-based distance between trees is defined and applied to a case study of prostate cancer. Clusters interpretation is explored in terms of concordance with severity status, tumor burden and biological characteristics. Results are promising, as the proposed method outperforms current literature approaches. Ultimately, the proposed method draws a general analysis framework that would allow to extract knowledge from daily acquired imaging data of patients and provide insights for effective treatment planning.

Polstar is a proposed NASA MIDEX space telescope that will provide high-resolution, simultaneous full-Stokes spectropolarimetry in the far ultraviolet, together with low-resolution linear polarimetry in the near ultraviolet. This observatory offers unprecedented capabilities to obtain unique information on the magnetic and plasma properties of the magnetospheres of hot stars. We describe an observing program making use of the known population of magnetic hot stars to test the fundamental hypothesis that magnetospheres should act to rapidly drain angular momentum, thereby spinning the star down, whilst simultaneously reducing the net mass-loss rate. Both effects are expected to lead to dramatic differences in the evolution of magnetic vs. non-magnetic stars., Comment: 20 pages, 10 figures, accepted for publication in ApSS. arXiv admin note: substantial text overlap with arXiv:2111.06434

Magnetic fields are important for stellar photospheres and magnetospheres, influencing photospheric physics and sculpting stellar winds. Observations of stellar magnetic fields are typically made in the visible, although infrared observations are becoming common. Here we consider the possibility of directly detecting magnetic fields at ultraviolet (UV) wavelengths using high resolution spectropolarimetry, specifically considering the capabilities of the proposed Polstar mission. UV observations are particularly advantageous for studying wind resonance lines not available in the visible, but they can also provide many photospheric lines in hot stars. Detecting photospheric magnetic fields using the Zeeman effect and Least Squares Deconvolution is potentially more effective in the UV due to the much higher density of strong lines. We investigate detecting magnetic fields in the magnetosphere of a star using the Zeeman effect in wind lines, and find that this could be detectable at high S/N in an O or B star with a strong magnetic field. We consider detecting magnetic fields using the Hanle effect in linear polarization, which is complementary to the Zeeman effect, and could be more sensitive in photospheric lines of rapid rotators. The Hanle effect can also be used to infer circumstellar magnetism in winds. Detecting the Hanle effect requires UV observations, and a multi-line approach is key for inferring magnetic field properties. This demonstrates that high resolution spectropolarimetry in the UV, and the proposed Polstar mission, has the potential to greatly expand our ability to detect and characterize magnetic fields in and around hot stars., Comment: Accepted for publication in Astrophysics and Space Science; updated to accepted version. arXiv admin note: text overlap with arXiv:2111.06434

Several space missions and instruments for UV spectropolarimetry are in preparation, such as the proposed NASA MIDEX Polstar project, the proposed ESA M mission Arago, and the Pollux instrument on the future LUVOIR-like NASA flagship mission. In the frame of Polstar, we have studied the capabilities these observatories would offer to gain information on the magnetic and plasma properties of the magnetospheres of hot stars, helping us test the fundamental hypothesis that magnetospheres should act to rapidly drain angular momentum, thereby spinning the star down, whilst simultaneously reducing the net mass-loss rate. Both effects are expected to lead to dramatic differences in the evolution of magnetic vs. non-magnetic stars., Comment: Accepted for publication in Astrophysics and Space Science. arXiv admin note: substantial text overlap with arXiv:2111.06434

The mass-loss rates from single massive stars are high enough to form radio photospheres at large distances from the stellar surface where the wind is optically thick to (thermal) free-free opacity. Here we calculate the far-infrared, millimeter, and radio band spectral energy distributions (SEDs) that can result from the combination of free-free processes and synchrotron emission, to explore the conditions for non-thermal SEDs. Simplifying assumptions are adopted in terms of scaling relations for the magnetic field strength and the spatial distribution of relativistic electrons. The wind is assumed to be spherically symmetric, and we consider the effect of Razin suppression on the synchrotron emission. Under these conditions, long-wavelength SEDs with synchrotron emission can be either more steep or more shallow than the canonical asymptotic power-law SED from a non-magnetic wind. When non-thermal emission is present, the resultant SED shape is generally not a power-law; however, the variation in slope can change slowly with wavelength. Consequently, over a limited range of wavelengths, the SED can masquerade as approximately a power law. While most observed non-thermal long-wavelength spectra are associated with binarity, synchroton emission can have only a mild influence on single-star SEDs, requiring finer levels of wavelength sampling for detection of the effect., Comment: 15 pages, 3 figures, accepted for publication in The Astrophysical Journal

In this manuscript we consider denoising of large rectangular matrices: given a noisy observation of a signal matrix, what is the best way of recovering the signal matrix itself? For Gaussian noise and rotationally-invariant signal priors, we completely characterize the optimal denoiser and its performance in the high-dimensional limit, in which the size of the signal matrix goes to infinity with fixed aspects ratio, and under the Bayes optimal setting, that is when the statistician knows how the signal and the observations were generated. Our results generalise previous works that considered only symmetric matrices to the more general case of non-symmetric and rectangular ones. We explore analytically and numerically a particular choice of factorized signal prior that models cross-covariance matrices and the matrix factorization problem. As a byproduct of our analysis, we provide an explicit asymptotic evaluation of the rectangular Harish-Chandra-Itzykson-Zuber integral in a special case.