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The quadratically regularized optimal transport problem is empirically known to have sparse solutions: its optimal coupling $\pi_{\varepsilon}$ has sparse support for small regularization parameter $\varepsilon$, in contrast to entropic regularization whose solutions have full support for any $\varepsilon>0$. Focusing on continuous and scalar marginals, we provide the first precise description of this sparsity. Namely, we show that the support of $\pi_{\varepsilon}$ shrinks to the Monge graph at the sharp rate $\varepsilon^{1/3}$. This result is based on a detailed analysis of the dual potential $f_{\varepsilon}$ for small $\varepsilon$. In particular, we prove that $f_{\varepsilon}$ is twice differentiable a.s. and bound the second derivative uniformly in $\varepsilon$, showing that $f_{\varepsilon}$ is uniformly strongly convex. Convergence rates for $f_{\varepsilon}$ and its derivative are also obtained.

Excess molar enthalpies, $H_{\text{m}}^{\text{E}}$, have been measured using a Tian-Calvet microcalorimeter for the systems CH$_3$(CH$_2$)$_{u-1}$OH ($u$ = 1,2,3,4,7,10) + cyclohexylamine at 298.15 K and 0.1 MPa. The $H_{\text{m}}^{\text{E}}$ values are large and negative, indicating the existence of strong interactions between unlike molecules, which is consistent with the also large and negative excess molar volumes, $V_{\text{m}}^{\text{E}}$, of these solutions, previously measured by us. The contribution from the equation of state term to $H_{\text{m}}^{\text{E}}$ has been evaluated for the 1-alkanol + cyclohexylamine, or + 1-hexylamine, or + aniline mixtures, and the corresponding excess molar internal energies at constant volume, $U_{\text{m,}V}^{\text{E}}$, have been determined. It is shown that such contribution is particularly important for the methanol + aniline system, in such a way that the excess functions $H_{\text{m}}^{\text{E}}$ and $U_{\text{m,}V}^{\text{E}}$ have different sign at $x_1$ = 0.5. The DISQUAC and ERAS models have been applied to the cyclohexylamine systems, and the interaction parameters have been reported. DISQUAC improves ERAS results on $H_{\text{m}}^{\text{E}}$. The latter model describes correctly the $V_{\text{m}}^{\text{E}}$ curves. The variation of of CH$_3$(CH$_2$)$_{u-1}$OH + cyclohexylamine, or + 1-hexylamine, or + aniline mixtures with $u$ along a homologous series with a given amine, or with the amine in mixtures with a given 1-alkanol is discussed in terms of the different interactional contributions to $H_{\text{m}}^{\text{E}}$.

Autoresonance is a phenomenon of physical interest that may take place when a nonlinear oscillator is forced at a frequency that varies slowly. The stroboscopic averaging method (SAM), which provides an efficient numerical technique for the integration of highly oscillatory systems, cannot be used directly to study autoresonance due to the slow changes of the forcing frequency. We study how to modify SAM to cater for such slow variations. Numerical experiments show the computational advantages of using SAM.

Trans-Neptunian objects (TNOs) are considered to be among the most primitive objects in our Solar System. Knowledge of their primary physical properties is essential for understanding their origin and the evolution of the outer Solar System. We predicted a stellar occultation by this TNO for 2020 October 23 UT and ran a specific campaign to investigate this event. We derived the projected profile shape and size from the occultation observations by means of an elliptical fit to the occultation chords. We also performed photometric observations of (143707) 2003 UY117 to obtain the absolute magnitude and the rotational period from the observed rotational light curve. Finally, we combined these results to derive the three-dimensional shape, volume-equivalent diameter, and geometric albedo for this TNO. From the stellar occultation, we obtained a projected ellipse with axes of $(282 \pm 18) \times (184 \pm 32)$ km. The area-equivalent diameter for this ellipse is $D_\textrm{eq,A} = 228 \pm 21$ km. From our photometric $R$ band observations, we derived an absolute magnitude of $H_V = 5.97 \pm 0.07$ mag using $V-R = 0.46 \pm 0.07$ mag, which was derived from a $V$ band subset of these data. The rotational light curve has a peak-to-valley amplitude of $\Delta m = 0.36 \pm 0.13$ mag. We find the most likely rotation period to be $P = 12.376 \pm 0.0033$ hours. By combining the occultation with the rotational light curve results and assuming a triaxial ellipsoid, we derived axes of $a \times b \times c = (332 \pm 24)$ km $\times$ $(216 \pm 24)$ km $\times$ $(180\substack{+28\\-24})$ km for this ellipsoid, and therefore a volume-equivalent diameter of $D_\textrm{eq,V} = 235 \pm 25$ km. Finally, the values for the absolute magnitude and for the area-equivalent diameter yield a geometric albedo of $p_V = 0.139 \pm 0.027$., Comment: 9 pages, 7 figures, accepted for publication in Astronomy and Astrophysics on Sept 13, 2024

Excess molar enthalpies, $H_{\text{m}}^{\text{E}}$, at 298.15 K and 0.1 MPa have been measured by means of a Tian-Calvet microcalorimeter for the systems benzylamine (phenylmethanamine) + heptane, or + methanol, or + 1-propanol, or + 1-pentanol, or + 1-heptanol, or + 1-decanol. In addition, excess molar volumes, $V_{\text{m}}^{\text{E}}$, at the same conditions have been also determined using a densimeter Anton Paar model DSA 5000 for the benzylamine + heptane mixture. The $H_{\text{m}}^{\text{E}}$ of this solution is large and positive since at 298.15 K the system temperature is close to its upper critical solution temperature. Thus, systems with n-alkanes show positive deviations from the Raoult's law. The measured $|V_{\text{m}}^{\text{E}}|$ values are low, indicating the existence of large structural effects. $H_{\text{m}}^{\text{E}}$ values of mixtures involving 1-alkanols are large and negative. That is, interactions between unlike molecules are dominant and the systems are characterized by negative deviations from Raoult's law. It is shown that the enthalpy of the hydrogen bonding between molecules of 1-alkanol and benzyalmine are more negative than those between 1-alkanol molecules. The $V_{\text{m}}^{\text{E}}$ values of the systems with 1-alkanols are also large and negative, and are determined mainly by interactional effects since they increase in line with $H_{\text{m}}^{\text{E}}$ and with the alcohol size. The different contributions to $H_{\text{m}}^{\text{E}}$ have been evaluated. The systems have been studied using the DISQUAC and ERAS models. ERAS describes correctly the $V_{\text{m}}^{\text{E}}$ function. DISQUAC largely improves ERAS results on $H_{\text{m}}^{\text{E}}$ or on excess molar heat capacities at constant pressure for the mixtures with 1-alkanols, which underlines that physical interactions are very relevant in such solutions.

A differential scanning calorimetric technique has been used to obtain solid-liquid equilibrium temperatures for the mixtures naphthalene or biphenyl + 1-tetradecanol, or + 1-hexadecanol. All the systems show a simple eutectic point, whose final composition was determined by means of the Tamman's plots using the needed values of the eutectic heat and of the heat of melting, which are also reported. DISQUAC interaction parameters for the OH/aromatic contacts in the selected systems are given. The present experimental SLE phase diagrams are similarly described by DISQUAC and UNIFAC (Dortmund) models. However, the comparison of DISQUAC and UNIFAC results for systems involving naphthalene and shorter 1-alkanols (methanol-1-octanol) reveals that the temperature dependence of the interaction parameters is more suitable in DISQUAC. The systems are also investigated in terms of the concentration-concentration structure factor. It is shown that the positive deviations from the Raoult's law of the studied solutions become weaker when the homocoordination decreases.

A practical application of quantum machine learning in real-world scenarios in the short term remains elusive, despite significant theoretical efforts. Image classification, a common task for classical models, has been used to benchmark quantum algorithms with simple datasets, but only few studies have tackled complex real-data classification challenges. In this work, we address such a gap by focusing on the classification of satellite images, a task of particular interest to the earth observation (EO) industry. We first preprocess the selected intrincate dataset by reducing its dimensionality. Subsequently, we employ neural quantum kernels (NQKs)- embedding quantum kernels (EQKs) constructed from trained quantum neural networks (QNNs)- to classify images which include solar panels. We explore both $1$-to-$n$ and $n$-to-$n$ NQKs. In the former, parameters from a single-qubit QNN's training construct an $n$-qubit EQK achieving a mean test accuracy over 86% with three features. In the latter, we iteratively train an $n$-qubit QNN to ensure scalability, using the resultant architecture to directly form an $n$-qubit EQK. In this case, a test accuracy over 88% is obtained for three features and 8 qubits. Additionally, we show that the results are robust against a suboptimal training of the QNN.

Densities and speeds of sound at a temperature $T$ = 298.15 K, relative permittivities at 1 MHz and refractive indices at the sodium D-line at $T$ = (293.15 K to 303.15 K), all at a pressure p = 0.1 MPa, are reported for liquid mixtures methanol, propan-1-ol or pentan-1-ol + aniline. Excess molar volume ($V_{\text{m}}^{\text{E}}$), excess isentropic compressibility, excess speed of sound, excess refractive index, excess relative permittivity ($\varepsilon_{\text{r}}^{\text{E}}$) and its temperature derivative are calculated and fitted to Redlich-Kister polynomials. The agreement among the reported data and other literature sources is analysed by comparing $V_{\text{m}}^{\text{E}}$, $n_{\text{D}}^{\text{E}}$, $\varepsilon_{\text{r}}^{\text{E}}$ and the deviation of the speed of sound from mole-fraction linearity. The positive excess molar internal energies at constant volume ($U_{\text{m,}V}^{\text{E}}$) show the dominance of the breaking of interactions between like molecules in the energy balance on mixing, particularly the breaking of strong dipolar interactions between aniline molecules. This contribution is also dominant for the $\varepsilon_{\text{r}}^{\text{E}}$ values, as they are negative and decrease with the length of the alkan-1-ol chain. Calculations on the concentration-concentration structure factor are consistent with these statements, revealing homocoordination in the studied systems. The $V_{\text{m}}^{\text{E}}$ are negative, which together with the positive $U_{\text{m,}V}^{\text{E}}$ indicate the existence of important structural effects in the studied mixtures. The application of the Kirkwood-Fr\"ohlich model shows that the average relative orientation of neighbouring dipoles is similar in the mixtures methanol + aniline or + pyridine, in spite of the different character of the predominant interactions in the latter mixture (heterocoordination).

Relative permittivities at 1 MHz, $\varepsilon_{\text{r}}$, and refractive indices at the sodium D-line, $n_{\text{D}}$, are reported at 0.1 MPa and at (293.15-303.15) K for the binary systems 1-alkanol + di-n-propylamine (DPA). Their corresponding excess functions are calculated and correlated. For the methanol mixture, positive values of the excess permittivities, $\varepsilon_{\text{r}}^{\text{E}}$, are found. Except at high concentrations of the alcohol in the 1-propanol mixture, the remaining systems show negative values of this property. This fact reveals that the creation of (1-alkanol)-DPA interactions contributes positively to $\varepsilon_{\text{r}}^{\text{E}}$, being this contribution dominant in the methanol mixture. At ${\phi}_1$ (volume fraction) = 0.5, $\varepsilon_{\text{r}}^{\text{E}}$ changes in the sequence: methanol > 1-propanol > 1-butanol > 1-pentanol < 1-heptanol. An analogous variation with the chain length of the 1-alkanol is observed in mixtures such as 1-alkanol + heptane, + cyclohexylamine or + n-hexylamine (HxA). Moreover, for a given 1-alkanol, $\varepsilon_{\text{r}}^{\text{E}}$ is larger for DPA than for HxA mixtures, suggesting that in DPA solutions multimers with parallel alignment of the molecular dipoles are favoured and cyclic multimers are disfavoured when compared to HxA mixtures. The ${(\partial{\varepsilon_{\text{r}}}/\partial T)}_p$ values are higher for the mixtures than for pure 1-alkanols, because (1-alkanol)-DPA interactions are stronger than those between 1-alkanol molecules. Molar refractions indicate that dispersive interactions in DPA systems increase with the chain length of the 1-alkanol and are practically identical to those in HxA solutions. The considered mixtures are treated by means of the Kirkwood-Fr\"ohlich model, reporting the Kirkwood correlation factors and their excess values., Comment: arXiv admin note: substantial text overlap with arXiv:2409.11801

Densities, $\rho$, and kinematic viscosities, $\nu$, have been determined at atmospheric pressure and at (293.15-303.15) K for binary mixtures formed by methanol and one linear polyether of the type CH$_3$-O-(CH$_2$CH$_2$O)$_n$-CH$_3$ ($n$ = 2,3,4). The $\rho$ values are used to compute excess molar volumes, $V_{\text{m}}^{\text{E}}$, and, together with $\nu$ results, dynamic viscosities ($\eta$). Deviations from linear dependence on mole fraction for viscosity, $\Delta \eta$, are also provided. Different semi-empirical equations have been employed to correlate viscosity data. Particularly, the equations used are: Grunberg-Nissan, Hind, Frenkel, Katti-Chaudhri, McAllister and Heric. Calculations show that better results are obtained from the Hind equation. The $V_{\text{m}}^{\text{E}}$ values are large and negative and contrast with the positive excess molar enthalpies, $H_{\text{m}}^{\text{E}}$, available in the literature, for these systems. This indicates that structural effects are dominant. The $\Delta \eta$ results are positive and correlate well with the difference in volume of the mixture compounds confirming the importance of structural effects. The temperature dependences of $\eta$ and of the molar volume have been used to calculate enthalpies, entropies and Gibbs energies, $\Delta G^*$, of viscous flow. It is demonstrated that $\Delta G^*$ is essentially determined by enthalpic effects. Methanol + CH$_3$-O-(CH$_2$CH$_2$O)$_n$-CH$_3$ mixtures have been treated in the framework of the ERAS model. Results on $H_{\text{m}}^{\text{E}}$ are acceptable, while the composition dependence of the $V_{\text{m}}^{\text{E}}$ curves is poorly represented. This has been ascribed to the existence of strong dipolar and structural effects in the present solutions.

Mixtures formed by 1-alkanol and one strongly polar compound (nitromethane (NM), ethanenitrile (EtN), dimethyl sulfoxide (DMSO), sulfolane (SULF), nitrobenzene (NTBz) or benzonitrile (BzCN)) have been investigated on the basis of a set of thermophysical data, which includes: excess molar functions (enthalpies, $H_{\text{m}}^{\text{E}}$, Gibbs energies, $G_{\text{m}}^{\text{E}}$, entropies, $T S_{\text{m}}^{\text{E}}$, isobaric heat capacities, $C_{p \text{m}}^{\text{E}}$, volumes, $V_{\text{m}}^{\text{E}}$); liquid-liquid equilibria (LLE), excess permittivities and deviations from the linearity of dynamic viscosities. In addition, calculations have been conducted to determine the Kirkwood-Buff integrals and the Kirkwood correlations factors, $g_{\text{K}}$, of the investigated mixtures. In the former case, DISQUAC has been employed for modeling the needed vapour-liquid equilibria data. Many systems under consideration are characterized by dipolar interactions between like molecules and have positive values of $H_{\text{m}}^{\text{E}}$, $C_{p \text{m}}^{\text{E}}$ and $T S_{\text{m}}^{\text{E}}$. On the other hand, alkanol-solvent interactions, for mixtures with a fixed 1-alkanol, become weakened in the sequence: DMSO $\approx$ SULF > EtN > NM > BzCN > NTBz. In systems with a given solvent, such interactions become also weaker when the chain length of the 1-alkanol is increased. Interestingly, the considered mixtures also show strong structural effects. Results on Kirkwood-Buff integrals reveal that nitriles are more preferred than nitroalkanes around a central alcohol molecule. Calculations on $g_{\text{K}}$ show that, in terms of the mixture polarization, the systems are rather unstructured, and that this trend becomes more important when the 1-alkanol size increases in solutions with a given solvent.

Mixtures involving nitrobenzene and hydrocarbons, or 1-alkanols and 1-nitroalkane, or nitrobenzene have been investigated based on a whole set of thermophysical properties available in the literature: excess molar functions (enthalpies, entropies, isobaric heat capacities, and volumes), vapour-liquid and liquid-liquid equilibria, permittivities or dynamic viscosities. In addition, the mixtures have been studied by means of the DISQUAC, ERAS, and UNIFAC models, and the concentration-concentration structure factor. The corresponding DISQUAC and ERAS interaction parameters are reported. In alkane mixtures, dipolar interactions between 1-nitroalkane molecules are weakened when the size of the polar compound increases, accordingly with the relative variation of their effective dipolar moment. Dipolar interactions are stronger in nitrobenzene solutions than in those containing the smaller 1-nitropropane, although both nitroalkanes have very similar effective dipole moment (aromaticity effect). Systems with 1-alkanols are characterized by dipolar interactions between like molecules which sharply increases when the alkanol size increases. Simultaneously, interactions between unlike molecules become weaker, as the OH group is then more sterically hindered. Interactions between unlike molecules are stronger in systems with nitromethane than in nitrobenzene solutions. The replacement of nitromethane by nitroethane in systems with a given 1-alkanol leads to strengthen those effects related with the alcohol self-association. Permittivity data and results on Kirkwood correlation factors show that the addition of 1-alkanol to a nitroalkane leads to cooperative effects, which increase the dipolar polarization of the solution, in such way that the destruction of the existing structure in pure liquids is partially counterbalanced. This effect is less important when longer 1-alkanols are involved.

The liquid-liquid equilibrium (LLE) curves have been determined for the 2-hydroxyl-benzaldehyde (salicylaldehyde, SAC) + CH$_3$(CH$_2$)$_n$CH$_3$ mixtures ($n$ = 5,6,7,8,9). The equilibrium temperatures were determined observing, by means of a laser scattering technique, the turbidity produced on cooling when a second phase takes place. All the systems show an upper critical solution temperature, which linearly increases with $n$. Intermolecular effects have been investigated in alkanol + benzaldehyde systems using data from the literature. Interactions in 1-alkanol mixtures are mainly of dipolar type. The corresponding excess molar enthalpies, $H_{\text{m}}^{\text{E}}$, are large and positive, which reveals that interactions between like molecules are dominant. Interactions between unlike molecules are stronger for the methanol-containing system. For the other mixtures, the enthalpy of the (1-alkanol)-benzaldehyde interactions remains more or less constant. At 298.15 K and equimolar composition, the replacement of a linear polar solvent by the isomeric aromatic one leads to increased $H_{\text{m}}^{\text{E}}$ values in systems with a given 1-alkanol. The phenol + benzaldehyde system shows strongly negative deviations from the Raoult's law. Proximity effects have been examined in SAC + hydrocarbon mixtures. Alkane-containing systems are essentially characterized by dipolar interactions, while dispersive interactions are prevalent in the solution with benzene. All the mixtures have been treated in terms of DISQUAC. The interaction parameters for the OH/CHO contacts and for the SAC/aromatic and SAC/alkane contacts have been reported. DISQUAC provides a correct description of the thermodynamic properties considered. In the case of SAC systems, this is done by defining a new specific group HO-C-C-CHO for salicylaldehyde.

The coexistence curves of liquid-liquid equilibrium (LLE) for the mixtures: phenylacetonitrile + heptane, + octane, + nonane, + cyclooctane, or + 2,2,4-trimethylpentane and for 3-phenylpropionitrile + heptane, or + octane are reported. Aromatic nitrile + alkane, + aromatic hydrocarbon or + 1 alkanol systems are investigated using a set of thermophysical properties: phase equilibria (solid-liquid, SLE, vapour-liquid, VLE and LLE), excess molar functions, enthalpies ($H_{\text{m}}^{\text{E}}$), isochoric internal energies, isobaric heat capacities ($C_{p \text{m}}^{\text{E}}$) and volumes ($V_{\text{m}}^{\text{E}}$), and the Kirkwood correlation factor. Due to proximity effects between the phenyl and the CN groups, dipolar interactions between molecules of aromatic nitriles are stronger than those between molecules of isomeric linear nitriles. Dipolar interactions become weaker in the order: 3-phenylpropionitrile > phenylacetonitrile > benzonitrile. Benzonitrile + aromatic hydrocarbon mixtures are characterized by dispersive interactions and structural effects. The latter are more important in systems with phenylacetonitrile. Structural effects are also present in benzonitrile + n-alkane, or + 1-alkanol + mixtures. The systems mentioned above have been studied using DISQUAC. Interaction parameters for contacts where the CN group in aromatic nitriles participates are given and DISQUAC results on excess properties and phase equilibria are discussed. 1-Alkanol + benzonitrile mixtures are also investigated by means of the ERAS model. ERAS represents well $H_{\text{m}}^{\text{E}}$ of these systems. The $V_{\text{m}}^{\text{E}}$ curves of solutions with longer 1-alkanols are more poorly described, which has been explained in terms of the existence of structural effects.

Relative permittivities at 1 MHz, $\varepsilon_{\text{r}}$, and at (293.15-303.15) K are reported for the binary systems N,N-dimethylacetamide (DMA) + N-propylpropan-1-amine (DPA), + N-butylbutan-1-amine (DBA), + butan-1-amine (BA) or + hexan-1-amine (HxA) and for N,N-dimethylformamide (DMF) + aniline. The excess permittivities, $\varepsilon_{\text{r}}^{\text{E}}$, are large and negative for systems with DMA, whereas they are large and positive for the aniline mixture. From the analysis of these $\varepsilon_{\text{r}}^{\text{E}}$ data and of measurements previously reported, it is concluded: (i) the main contribution to $\varepsilon_{\text{r}}^{\text{E}}$ in systems with linear amines arises from the breaking of interactions between like molecules; (ii) in the DMF + aniline mixture, interactions between unlike molecules contribute positively to $\varepsilon_{\text{r}}^{\text{E}}$, and such a contribution is dominant; (iii) longer linear amines are better breakers of the amide-amide interactions; (iv) interactions between unlike molecules are more easily formed when shorter linear amines, or DMF, participate. These findings are confirmed by a general study conducted in terms of excess values of molar orientational and induced polarizabilities and of the relative Kirkwood correlation factors for systems and components. The ERAS model is also applied to amide + amine mixtures. ERAS represents rather accurately the excess enthalpies and volumes of the mentioned systems. The variation of the cross-association equilibrium constants, determined using ERAS, with the molecular structure is in agreement with that observed for $\varepsilon_{\text{r}}^{\text{E}}$., Comment: arXiv admin note: text overlap with arXiv:2409.15208

Relative permittivities at 1 MHz, $\varepsilon_{\text{r}}$, and at (293.15-303.15) K, are reported for the binary systems N,N-dimethylformamide (DMF) + N-propylpropan-1-amine (DPA), + N-butylbutan-1-amine (DBA), + butan-1-amine (BA) or + hexan-1-amine (HxA). The values of the excess relative permittivities, $\varepsilon_{\text{r}}^{\text{E}}$, have also been determined for these solutions. The measurements were realized by means of a precision impedance analyser 4294A, to which a 16452A cell connected using a 16048G test lead, all of them from Agilent. The $\varepsilon_{\text{r}}^{\text{E}}$ values are large and negative, and diminish when the size of the amine increases along a homologous series, which has been ascribed mainly to the rupture of interactions between like molecules along mixing. Calculations on excess molar orientational polarizabilities support this conclusion, indicating a dominant contribution to $\varepsilon_{\text{r}}^{\text{E}}$ from the orientational polarizability of the molecules in the mixture. The analysis of excess relative Kirkwood correlation factors shows that the correlation between dipoles is effectively decreased along the mixing process.

The systems C$_6$H$_5$Cl, or C$_6$H$_5$Br, or 1-chloronaphthalene, or 1,2,4-trichlorobenzene, or 1-methylnaphthalene, or 1,2,4-trimethylbenzene + alkane have been investigated by means of the their excess molar properties, including, when the needed data are available, those at constant volume, internal energies ($U_{V\text{m}}^{\text{E}}$) and heat capacities ($C_{V\text{m}}^{\text{E}}$), and using the DISQUAC, and Flory models, and the concentration-concentration structure factor formalism. The position of the mixtures within the $G_{\text{m}}^{\text{E}}$ (excess molar Gibbs energy) vs. $H_{\text{m}}^{\text{E}}$ (excess molar enthalpy) diagram has been also determined. Interactions between C$_6$H$_5$X molecules become stronger in the sequence X = H $\approx$ F $\approx$ Cl < Br. These interactions are weaker than those between 1-chloronaphtahlene or 1,2,4-trichlorobenzene molecules. It is shown that the considered systems have some common features: dispersive interactions are dominant, structural effects for solutions with shorter n-alkanes are large and $U_{V\text{m}}^{\text{E}}$ decreases when the number ($n$) of C atoms of the alkane increases. This variation is held when an n-alkane is replaced by a branched alkane with the same $n$ in systems with C$_6$H$_5$Cl or 1-chloronaphthalene. This suggests that larger alkanes are poorer breakers of the interactions between aromatic halogenated compounds. Viscosity and $C_{V\text{m}}^{\text{E}}$ data support this conclusion. The parabolic dependence of $C_{V\text{m}}^{\text{E}}$ with $n$ indicates that the short orientational order of long n-alkanes is destroyed. Aromaticity and proximity effects are discussed.

Fluorobenzene, or 1,4-difluorobenzene or hexafluorobenzene + alkane mixtures and hexafluorobenzene + benzene, or + toluene, or + 1,4-dimethylbenzene systems have been studied using thermodynamic properties from the literature and through the application of the DISQUAC and UNIFAC (Dortmund) models and the concentration-concentration structure factor ($S_{\text{CC}}(0)$). Interaction parameters for the contacts F/alkane and F/aromatic have been determined for DISQUAC, and they have been taken from the literature for UNIFAC. Both models predict double azeotropy for the C$_6$F$_6$ + C$_6$H$_6$ system, although in different temperature ranges. Excess molar enthalpies ($H_{\text{m}}^{\text{E}}$) of the fluorobenzene, or 1,4-difluorobenzene + n-alkane systems are positive and are accurately described by the models using interaction parameters independent of the n-alkane, discarding Patterson's effect in such mixtures. DISQUAC calculations confirm that conclusion for C$_6$F$_6$ + n-alkane mixtures. DISQUAC provides better results than UNIFAC on excess molar isobaric heat capacities ($C_{p\text{m}}^{\text{E}}$) of solutions involving n-alkanes, or on $H_{\text{m}}^{\text{E}}$ of C$_6$F$_6$ + aromatic hydrocarbon systems. For mixtures with a given n-alkane, the relative variation of excess molar internal energies at constant volume ($U_{V\text{m}}^{\text{E}}$) and $H_{\text{m}}^{\text{E}}$ and with the fluorohydrocarbons is different, due to structural effects. C$_6$F$_6$ + aromatic hydrocarbon mixtures are characterized by interactions between unlike molecules, as seen from their negative $H_{\text{m}}^{\text{E}}$ values. The $S_{\text{CC}}(0)$ formalism reveals that homocoordination is more important in C$_6$F$_6$ + n-alkane mixtures than in the corresponding systems with C$_6$H$_5$F, and that heterocoordination is dominant in the solutions of C$_6$F$_6$ with an aromatic hydrocarbon.

Interactions and structure of alkanone, or alkanal or dialkyl carbonate + alkane mixtures, or of 2-alkanone+ 2-alkanone, or of ketone + dialkyl carbonate systems have been investigated by means of a set of thermodynamic properties and by the application of the Flory model. The properties considered are excess molar quantities: enthalpies, $H_{\text{m}}^{\text{E}}$, volumes, $V_{\text{m}}^{\text{E}}$, or isobaric heat capacities, $C_{p \text{m}}^{\text{E}}$, and liquid-liquid equilibria. Experimental data show that alkane mixtures are characterized by rather strong dipolar interactions. In the case of systems containing ketones with the same number of C atoms and a given alkane, dipolar interactions become weaker in the sequence: aromatic > cyclic > linear. In addition, the mentioned interactions become also weaker in the order: dialkyl carbonate > linear alkanone > linear alkanal. This is an important result, as carbonates show lower effective dipole moments than the other compounds, and it suggests that the group size may be relevant when evaluating thermodynamic properties of liquid mixtures. Results on $H_{\text{m}}^{\text{E}}$ from the Flory model show that orientational effects (i.e., non-random mixing) are rather similar for systems with linear, cyclic or aromatic ketones or alkanals and alkanes. In contrast, orientational effects become weaker in dialkyl carbonate + alkane mixtures. The behaviour of 2-alkanone + 2-alkanone systems and of mixtures of longer 2-alkanones or cyclohexanone with dialkyl carbonate is close to random mixing. Larger orientational effects are encountered in solutions of carbonates and shorter 2-alkanones.

Searches for anomalous neutral triple gauge boson couplings (NTGCs) provide important tests for the gauge structure of the standard model. At the LHC, NTGCs are searched for via the process $pp \to ZZ \to 4l$, where the two $Z$-bosons are on-shell. In this paper, we discuss how the same process can occur through tree-level diagrams just adding a vector-like quark (VLQ) to the standard model. Since NTGCs are generated in standard model effective theory (SMEFT) only at 1-loop order, vector like quarks could be an important alternative interpretation to, and background for, NTGC searches. Here, we construct a simple example model, discuss low-energy constraints and estimate current and future sensitivities on the model parameters from $pp \to ZZ \to 4l$ searches., Comment: 19 pages, 9 figures

Quantum transduction is essential for future hybrid quantum networks, connecting devices across different spectral ranges. In this regard, molecular modulation in hollow-core fibers has proven to be exceptional for efficient frequency conversion. However, insights on this conversion method for quantum light have remained elusive beyond standard semiclassical models. This Letter introduces a framework to describe the quantum dynamics of both molecules and photons in agreement with recent experiments and capable of unveiling the ability of molecular modulation to preserve entanglement.

The CH$_3$(CH$_2$)$_u$COO(CH$_3$)$_v$CH$_3$ + n-alkane mixtures have been investigated on the basis of an experimental database containing effective dipole moments of esters, and excess molar functions of the systems: enthalpies ($H_{\text{m}}^{\text{E}}$), volumes ($V_{\text{m}}^{\text{E}}$), isobaric heat capacities ($C_{p\text{m}}^{\text{E}}$) and isochoric internal energies ($U_{V\text{m}}^{\text{E}}$) and by means of the application of the Flory model and the Kirkwood-Buff formalism. The situation of the mixtures within the $G_{\text{m}}^{\text{E}}$ (excess molar Gibbs energy) vs. $H_{\text{m}}^{\text{E}}$ diagram has also been briefly considered. Results indicate that dispersive interactions are dominant and that steric effects can explain some differences between solutions containing heptane and isomeric esters. Proximity and orientational effects are also discussed in diester + hexane mixtures. In the case of systems with a given alkane and different isomeric polar compounds, orientational effects become weaker in the order: n-alkanone > dialkyl carbonate > n-alkanoate. Results from the Kirkwood-Buff formalism indicate that the number of ester-ester interactions decreases in systems with alkyl ethanoates when the alkyl size increases and that preferential solvation between polar molecules decreases as follows: dialkyl carbonate > n-alkanone > n-alkanoate.

Kinematic viscosities were measured for iodobenzene + n-alkane mixtures at (288.15-308.15) K and atmospheric pressure. Using our previous density data, dynamic viscosities ($\eta$), deviations in absolute viscosity ($\Delta \eta$) and quantities of viscous flow were determined. The McAllister, Grunberg-Nissan and Fang-He correlation equations and Bloomfield-Dewan's model (with residual Gibbs energies calculated using DISQUAC with interaction parameters available in the literature) were applied to iodobenzene, or 1-chloronaphthalene, or 1,2,4-trichlorobenzene, or methyl benzoate or benzene or cyclohexane + n-alkane systems. The dependence of $U_{\text{m,}V}^{\text{E}}$ (isochoric molar excess internal energy) and $\Delta \eta$ with $n$ (the number of C atoms of the n-alkane) shows that the fluidization loss of mixtures containing iodobenzene, 1,2,4-trichlorobenzene, or 1-chloronaphthalene when $n$ increases is due to a decrease upon mixing of the number of broken interactions between like molecules. The breaking of correlations of molecular orientations characteristic of longer n-alkanes may explain the decreased negative $\Delta \eta$ values of benzene mixtures with $n$ =14,16. The replacement, in this type of systems of benzene by cyclohexane leads to increased positive $\Delta \eta$ values, probably due to the different shape of cyclohexane. On the other hand, binary mixtures formed by one of the aromatic polar compounds mentioned above and a short n-alkane show large structural effects and large negative $\Delta \eta$ values. From the application of the models, it seems that dispersive interactions are dominant and that size effects are not relevant on $\eta$ values. The free volume model provides good results for most of the systems considered. Results improve when, within Bloomfield-Dewan's theory, the contribution to $\eta$ of the absolute reaction rate model is also considered.

(Iodobenzene + n-alkane) liquid mixtures have been studied experimentally, in terms of densities and speeds of sound at a pressure $p$ = 0.1 MPa and in the temperature range $T$ = (288.15 to 308.15) K, and theoretically, by the application of the Prigogine-Flory-Patterson (PFP) model. The n-alkanes considered are n-heptane, n-decane, n-dodecane, and n-tetradecane. Excess molar volumes ($V_{\text{m}}^{\text{E}}$) and excess isentropic compressibilities ($\kappa_S^{\text{E}}$) have been calculated and correlated by Redlich-Kister polynomials. ${(\partial{V_{\text{m}}^{\text{E}}}/\partial T)}_p$ curves at the same (p,T) conditions have been obtained from correlated $V_{\text{m}}^{\text{E}}$ values. From these experimental results and the knowledge of the excess molar enthalpies and volumes of mixtures containing fluorobenzene, chlorobenzene or bromobenzene with n-alkanes, we have inferred: (i) the presence of structural effects, especially important for the n-heptane mixture and less relevant for volumetric properties as the length of the n-alkane increases; and (ii) that the interactional effects on $V_{\text{m}}^{\text{E}}$ do not vary appreciably with the length of the n-alkane, so the observed $V_{\text{m}}^{\text{E}}$ variation is fundamentally determined by the corresponding variation of the contribution from structural effects. The application of the PFP model supports this interpretation, providing free volume contributions to $V_{\text{m}}^{\text{E}}$ that vary parallelly to $V_{\text{m}}^{\text{E}}$ with the length of the n-alkane, and interactional contributions that rest approximately constant independently of the n-alkane size.

The mixtures 2-propanol or 2-butanol + n-alkanone, or + acetophenone or + linear monoether, or + cyclic ether, or + linear organic carbonate, or + propylene carbonate have been investigated using thermodynamic data, and in terms of the Flory theory, and the Kirkwood-Buff integrals. The data considered are: excess molar enthalpies ($H_{\text{m}}^{\text{E}}$), volumes, entropies, and the temperature dependence of $H_{\text{m}}^{\text{E}}$. The enthalpy of the 2-alkanol-solvent interactions have been determined, and the different contributions to $H_{\text{m}}^{\text{E}}$ are discussed. It is shown that $H_{\text{m}}^{\text{E}}$ values of the 2-alkanol (fixed) + n-alkanone, or + linear carbonate mixtures change in the same manner that for n-alkanone, or linear carbonate + n-alkane (fixed) systems. In contrast, $H_{\text{m}}^{\text{E}}$ values of 2-alkanol (fixed) + linear monoether or + n-alkane mixtures change similarly. This set of results suggests that solvent-solvent interactions are determinant in systems with n-alkanone or linear carbonate, while interactions between alcohol molecules are determinant in mixtures with linear monoethers. According to the Flory model, orientational effects in systems with a given 2-alkanol become weaker in the sequence: linear monoether > linear organic carbonate > n-alkanone, and are stronger in solutions with a cyclic monoether than in those with cyclic diethers, and in systems with acetophenone or propylene carbonate than in the mixtures with the corresponding linear solvents. Results obtained from the Kirkwood-Buff integrals are consistent with these findings. The application of Flory model reveals that orientational effects are similar in systems with 1- or 2-alkanols, with the exception of solutions with linear monoethers, where such effects are stronger in mixtures containing 1-alkanols.

In this paper, the solubility of carbon dioxide (CO$_{2}$) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for water and TraPPE model for CO$_{2}$. In particular, the solubility of CO$_{2}$ in water when in contact with the CO$_{2}$ liquid phase, and the solubility of CO$_{2}$ in water when in contact with the hydrate have been determined. The solubility of CO$_{2}$ in a liquid-liquid system decreases as temperature increases. The solubility of CO$_{2}$ in a hydrate-liquid system increases with temperature. The two curves intersect at a certain temperature that determines the dissociation temperature of the hydrate at 400 bar ($T_{3}$). We compare the predictions with the $T_{3}$ obtained using the direct coexistence technique in a previous work. The results of both methods agree and we suggest 290(2)K as the value of $T_{3}$ for this system using the same cutoff distance for dispersive interactions. We also propose a novel and alternative route to evaluate the change in chemical potential for the formation of hydrate along the isobar. The new approach is based on the use of the solubility curve of CO$_{2}$ when the aqueous solution is in contact with the hydrate phase. It considers rigorously the non-ideality of the aqueous solution of CO$_{2}$, providing reliable values for driving force for nucleation of hydrates in good agreement with other thermodynamic routes used. It is shown that the driving force for hydrate nucleation at 400 bar is larger for the methane hydrate than for the carbon dioxide hydrate when compared at the same supercooling. We have also analyzed and discussed the effect of the cutoff distance of the dispersive interactions and the occupancy of CO$_{2}$ on the driving force for nucleation of the hydrate., Comment: 25 pages, 19 figures

Star formation in the central molecular zone (CMZ) is suppressed with respect to that of the Galactic disk, and this is likely related to its high turbulent environment. This turbulence impedes the potential detection of prestellar cores. We present the temperature, density, and spatial structure of the CMZ molecular cloud G+0.693-0.027, which has been proposed to host a prestellar cluster in the Sgr B2 region. We analysed multiple HC$_{3}$N rotational transitions that were observed with the IRAM 30m, APEX, Yebes 40m, and GBT radio telescopes, together with SMA+APEX spatially resolved maps. The spectral shape of HC$_{3}$N lines shows three velocity components: a broad component with a line width of 23 km s$^{-1}$ (C1), and two narrow components with line widths of 7.2 and 8.8 km s$^{-1}$ (C2 and C3). This suggests that a fraction of the molecular gas in this cloud is undergoing turbulence dissipation. From a non-local thermodynamic equilibrium analysis we have found H$_{2}$ densities of 2$\times$10$^{4}$ cm$^{-3}$, 5$\times$10$^{4}$ cm$^{-3}$, and 4$\times$10$^{5}$ cm$^{-3}$ and kinetic temperatures of 140 K, 30 K, and 80 K for C1, C2, and C3, respectively. The spatially resolved maps confirm that the colder and high-density condensations C2 and C3, which peak in the 70-85 km s$^{-1}$ velocity range, are embedded in a more diffuse and warmer gas (C1). The larger-scale structure of the Sgr B2 region shows a hole at 40-50 km s$^{-1}$ that is likely due to a small cloud that shocked the Sgr B2 region and is spatially related with a massive cloud at 60-80 km s$^{-1}$. We propose that the impacting small cloud sequentially triggered the formation of Sgr B2(M), (N), and (S) and the condensations in G+0.693-0.027 during its passage. Based on the analysis of the masses of the two condensations and on the virial parameters, C2 might expand, while C3 might further fragment or collapse., Comment: 21 pages, 16 figures, 5 tables, 4 appendix - Accepted for publication in A&A

Values of density ($\rho$), speed of sound ($c$) and refractive index ($n_{\text{D}}$) for N,N-dimethylformamide (DMF) + N-propylpropan-1-amine (DPA) or + butan-1-amine (BA) mixtures at (293.15-303.15) K, and for DMF + N-butylbutan-1-amine (DBA) or hexan-1-amine (HxA) mixtures at 298.15 K are reported. $\rho$ and $c$ measurements were conducted using a vibrating-tube densimeter and sound analyzer, Anton Paar model DSA5000; $n_{\text{D}}$ values were obtained by means of a RFM970 refractometer from Bellingham+Stanley. The experimental $\rho$, $c$ and $n_{\text{D}}$ values have been used to determine excess molar volumes, $V_{\text{m}}^{\text{E}}$, excess adiabatic compressibilities, $\kappa_S^{\text{E}}$, excess speeds of sound, $c^{\text{E}}$, excess thermal expansion coefficients, $\alpha_p^{\text{E}}$, and excess refractive indices, $n_{\text{D}}^{\text{E}}$. This set of data shows the existence of interactions between unlike molecules and of structural effects in the mixtures under study. $V_{\text{m}}^{\text{E}}$ values of solutions including linear secondary amines are lower than those of mixtures with linear primary amines. In fact, the contribution to $V_{\text{m}}^{\text{E}}$ from the breaking of amine-amine interactions is larger for the latter systems. Calculations on Rao's constant point out that there is no complex formation between the mixture components. Dispersive interactions have been analyzed by means of the molar refraction. It is shown that solutions with DPA or HxA are characterized by similar dispersive interactions and that they mainly differ in dipolar interactions.

We present the magnetic behavior and resulting transport properties of TaSe$_2$ when intercalated by magnetically active cobalt cations. Acting as the layered host, TaSe$_2$ is a transition metal dichalcogenide (TMD) that adopts the 2H-polytype. We find through our single crystal and powder diffraction studies that we can prepare the stoichiometry Co$_{0.25}$TaSe$_2$, which crystallizes in the centrosymmetric space group $P6_3/mmc$. From magnetic susceptibility and x-ray photoelectron spectroscopy measurements, we find a transition consistent with antiferromagnetic order below the temperature $T_N$ = 173 K and Co$^{2+}$ in the high-spin state. Neutron powder diffraction and specific heat measurements, however, point to a much smaller than anticipated ordered moment in this sample. From the neutron results, the magnetic structure can be described as an A-type antiferromagnet with an ordered moment size of 1.35(11) $\mu_B$ per Co cation. The direction of the moments are all long the c-axis, which is consistent with the magnetization and susceptibility studies showing this direction to be the easy axis. Interestingly, we find that a weak and subtle ferromagnetic component appears to exist along the $ab$-plane of the Co$_{0.25}$TaSe$_2$ crystals. We place the results of this work in the context of other magnetic-ion intercalated TMDs, especially those of Ta and Nb., Comment: 13 pages, 8 figures

Here we analyze the electron transport properties of a device formed of two crossed graphene nanoribbons with zigzag edges (ZGNRs) in a spin state with total magnetization different from zero. While the ground state of ZGNRs has been shown to display antiferromagnetic ordering between the electrons at the edges, for wide ZGNRs--where the localized spin states at the edges are decoupled and the exchange interaction is close to zero--, in presence of relatively small magnetic fields, the ferromagnetic (FM) spin configuration can in fact become the state of lowest energy due to the Zeeman effect. In these terms, by comparing the total energy of a periodic ZGNR as a function of the magnetization per unit cell we obtain the FM-like solution of lowest energy for the perfect ribbon, the corresponding FM-like configuration of lowest energy for the four-terminal device formed of crossed ZGNRs, and the critical magnetic field needed to excite the system to this spin configuration. By performing transport calculations, we analyze the role of the distance between layers and the crossing angle of this device in the electrical conductance, at small gate voltages. The problem is approached employing the mean-field Hubbard Hamiltonian in combination with non-equilibrium Green's functions. We find that ZGNR devices subject to transverse magnetic fields may acquire a high-spin configuration that ensures a metallic response and tunable beam splitting properties, making this setting promising for studying electron quantum optics with single-electron excitations.

Prognosis after intracranial hemorrhage (ICH) is influenced by a complex interplay between imaging and tabular data. Rapid and reliable prognosis are crucial for effective patient stratification and informed treatment decision-making. In this study, we aim to enhance image-based prognosis by learning a robust feature representation shared between prognosis and the clinical and demographic variables most highly correlated with it. Our approach mimics clinical decision-making by reinforcing the model to learn valuable prognostic data embedded in the image. We propose a 3D multi-task image model to predict prognosis, Glasgow Coma Scale and age, improving accuracy and interpretability. Our method outperforms current state-of-the-art baseline image models, and demonstrates superior performance in ICH prognosis compared to four board-certified neuroradiologists using only CT scans as input. We further validate our model with interpretability saliency maps. Code is available at https://github.com/MiriamCobo/MultitaskLearning_ICH_Prognosis.git., Comment: 16 pages. Accepted at Machine Learning in Medical Imaging Workshop @ MICCAI 2024 (MLMI2024). This is the submitted manuscript with added link to github repo, funding acknowledgements and authors' names and affiliations. No further post submission improvements or corrections were integrated. Final version not published yet

In optimal transport, quadratic regularization is a sparse alternative to entropic regularization: the solution measure tends to have small support. Computational experience suggests that the support decreases monotonically to the unregularized counterpart as the regularization parameter is relaxed. We find it useful to investigate this monotonicity more abstractly for linear programs over polytopes, regularized with the squared norm. Here, monotonicity can be stated as an invariance property of the curve mapping the regularization parameter to the solution: once the curve enters a face of the polytope, does it remain in that face forever? We show that this invariance is equivalent to a geometric property of the polytope, namely that each face contains the minimum norm point of its affine hull. Returning to the optimal transport problem and its associated Birkhoff polytope, we verify this property for low dimensions, but show that it fails for dimension $d\geq25$. As a consequence, the conjectured monotonicity of the support fails in general, even if experiments suggest that monotonicity holds for many cost matrices.

The calculation of the interfacial free energy between two thermodynamic phases is crucial across different fields including materials science, chemistry, and condensed matter physics. This study delves into a thermodynamic approach to predict interfacial free energy along a coexistence line. For that purpose, we utilize Gibbs-Cahn integration method to accurately determine the interfacial free energy along various coexistence conditions, relying solely on data obtained from a single-state interfacial free energy calculation at given conditions of pressure and temperature. Unlike traditional methods that require individual measurements at each thermodynamic state, this approach significantly reduces computational demand and enhances efficiency. The integration scheme requires the computation of the excess interfacial energy (by means of unbiased NVT computer simulations in which the two phases involved coexist) at different points along the coexistence line, for later use this information as an input in our calculations. We apply this method for the Lennard-Jones and mW water model for the case of the liquid-solid interface, as well as Lennard-Jones and TIP4P/2005 models for liquid-vapor interfaces. Our results highlight the accuracy and effectiveness of this thermodynamic integration route for estimating the interfacial free energy along a coexistence line., Comment: Main text: 13 pages and 9 figures. Supporting material: 7 pages and 4 figures

Optimal transport has proven to have numerous applications in data science. In some of those, differentiating the transport map with respect to the densities in the Fr\'echet sense is required. In this work, we prove that for a compact, uniformly convex set $\Omega \subset \mathbb{R}^d$ and a $\mathcal{C}^1$ curve of densities $\{p_t\} \subset \mathcal{C}^{1,\alpha}(\Omega)$ that are uniformly bounded away from zero and infinity, the curve of transport maps $\{\nabla \phi_t\} \subset \mathcal{C}^{1,\alpha}(\Omega)$, pushing $Q$ forward to $P_t$ (where $P_t$ admits density $p_t$ and $Q$ is sufficiently regular), is also $\mathcal{C}^1$. The proof is based on applying the implicit function theorem to the Monge-Amp\`ere equation with natural boundary conditions. To achieve this, we establish the existence and uniqueness of solutions to the {\it linearized Monge-Amp\`ere equation}, an elliptic partial differential equation characterized by strictly oblique boundary conditions and a null zero-order term. We emphasize two significant applications of this result. Firstly, it enables non-parametric inference on the Monge map, paving the way for the construction of confidence bands for the transport map. Secondly, it establishes the regularity of the transport-based quantile regression function with respect to the covariates.

Sulphur-bearing species play crucial roles in interstellar chemistry, yet their precise characterisation remains challenging. Here, we present laboratory experiments aimed at extending the high-resolution spectroscopy of protonated carbonyl sulphide (HOCS$^+$), a recently detected molecular ion in space. Using a frequency-modulated free-space absorption spectrometer, we detected rotational transitions of HOCS$^+$ in an extended negative glow discharge with a mixture of H$_2$ and OCS, extending the high-resolution rotational characterisation of the cation well into the millimetre wave region (200-370 GHz). Comparisons with prior measurements and quantum chemical calculations revealed an overall agreement in the spectroscopic parameters. With the new spectroscopic dataset in hand, we re-investigated the observations of HOCS$^+$ towards G+0.693-0.027, which were initially based solely on K$_a$ = 0 lines contaminated by HNC$^{34}$S. This re-investigation enabled the detection of weak K$_a$ = 0 transitions, free from HNC$^{34}$S contamination. Our high-resolution spectroscopic characterisation also provides valuable insights for future millimetre and submillimetre astronomical observations of these species in different interstellar environments. In particular, the new high-resolution catalogue will facilitate the search for this cation in cold dark clouds, where very narrow line widths are typically observed., Comment: 9 pages, 3 figures, and 3 tables. Accepted for publication in Astronomy & Astrophysics

Linear programs with quadratic regularization are attracting renewed interest due to their applications in optimal transport: unlike entropic regularization, the squared-norm penalty gives rise to sparse approximations of optimal transport couplings. It is well known that the solution of a quadratically regularized linear program over any polytope converges stationarily to the minimal-norm solution of the linear program when the regularization parameter tends to zero. However, that result is merely qualitative. Our main result quantifies the convergence by specifying the exact threshold for the regularization parameter, after which the regularized solution also solves the linear program. Moreover, we bound the suboptimality of the regularized solution before the threshold. These results are complemented by a convergence rate for the regime of large regularization. We apply our general results to the setting of optimal transport, where we shed light on how the threshold and suboptimality depend on the number of data points.

The ability to process time-series at low energy cost is critical for many applications. Recurrent neural network, which can perform such tasks, are computationally expensive when implementing in software on conventional computers. Here we propose to implement a recurrent neural network in hardware using spintronic oscillators as dynamical neurons. Using numerical simulations, we build a multi-layer network and demonstrate that we can use backpropagation through time (BPTT) and standard machine learning tools to train this network. Leveraging the transient dynamics of the spintronic oscillators, we solve the sequential digits classification task with $89.83\pm2.91~\%$ accuracy, as good as the equivalent software network. We devise guidelines on how to choose the time constant of the oscillators as well as hyper-parameters of the network to adapt to different input time scales., Comment: 7 pages, 4 figures

This paper establishes optimal convergence rates for estimation of structured covariance operators of Gaussian processes. We study banded operators with kernels that decay rapidly off-the-diagonal and $L^q$-sparse operators with an unordered sparsity pattern. For these classes of operators, we find the minimax optimal rate of estimation in operator norm, identifying the fundamental dimension-free quantities that determine the sample complexity. In addition, we prove that tapering and thresholding estimators attain the optimal rate. The proof of the upper bound for tapering estimators requires novel techniques to circumvent the issue that discretization of a banded operator does not result, in general, in a banded covariance matrix. To derive lower bounds for banded and $L^q$-sparse classes, we introduce a general framework to lift theory from high-dimensional matrix estimation to the operator setting. Our work contributes to the growing literature on operator estimation and learning, building on ideas from high-dimensional statistics while also addressing new challenges that emerge in infinite dimension., Comment: 38 pages, 3 figures

Ultra-lean hydrogen-air flames propagating in narrow gaps, under the influence of cold walls and high preferential diffusion, can form two distinct isolated structures. They exhibit either circular or double-cell shapes and propagate at different speeds, with the latter roughly doubling in size and traveling speed to the former. Hydrogen mass diffusivity, convective effects and conductive heat losses are the physical mechanisms that explain the alterations in morphology and propagation speed. In previous experiments, Veiga et al. Phys. Rev. Lett. 124, 174501 (2020) found these clearly distinguished flame structures for different combinations of equivalence ratio, channel gap and the effect of gravity on the dynamics of upwards and downwards propagating flames in a vertical chamber. Present observations in horizontal channels show the simultaneous appearance of these two stable structures, which arise under identical experimental conditions and conform the first evidence that multiplicity of stable solutions coexists in real devices. To explain the observations, we performed numerical simulations using the simplified model, which show that symmetry-breaking details during the ignition transient explain the concurrent emergence of the two stable configurations. This discovery urges the need to implement additional engineering tools to account for the possibility of formation and propagation of isolated flame kernels at different speeds in hydrogen-fueled systems.

The quadratically regularized optimal transport problem has recently been considered in various applications where the coupling needs to be \emph{sparse}, i.e., the density of the coupling needs to be zero for a large subset of the product of the supports of the marginals. However, unlike the acclaimed entropy-regularized optimal transport, the effect of quadratic regularization on the transport problem is not well understood from a mathematical standpoint. In this work, we take a first step towards its understanding. We prove that the difference between the cost of optimal transport and its regularized version multiplied by the ratio $\varepsilon^{-\frac{2}{d+2}}$ converges to a nontrivial limit as the regularization parameter $\varepsilon$ tends to 0. The proof confirms a conjecture from Zhang et al. (2023) where it is claimed that a modification of the self-similar solution of the porous medium equation, the Barenblatt--Pattle solution, can be used as an approximate solution of the regularized transport cost for small values of $\varepsilon$.

MOCAT-SSEM is a Source-Sink model that predicts the Low Earth Orbit (LEO) space population divided into families using a predefined set of interaction parameters. Thanks to data from the Monte Carlo version of the model (MOCAT-MC), which propagates singularly every object, it is possible to estimate such parameters, assumed as additional stochastic variables. Thus, this paper proposed a new set of parameters so that the new Source-Sink model prediction better fits the computationally expensive and accurate MOCAT-MC simulation. Estimation is performed by extracting stochastic quantities from the space population, which has been analyzed to fit common probability density functions., Comment: American Astronautical Society 2024 Conference - Space Domain Awareness Section

In this paper we analyze and compare different movement sensors: micro-chip gesture-ID, leap motion, noitom mocap, and specially developed sensor for tapping and foot motion analysis. The main goal is to evaluate the accu-racy of measurements provided by the sensors. This study presents rele-vance, for instance, in tremor/Parkinson disease analysis as well as no touch mechanisms for activation and control of devices. This scenario is especially interesting in COVID-19 scenario. Removing the need to touch a surface, the risk of contagion is reduced., Comment: In: Esposito, A., Faundez-Zanuy, M., Morabito, F.C., Pasero, E. (eds) Applications of Artificial Intelligence and Neural Systems to Data Science. Smart Innovation, Systems and Technologies, vol 360. Springer, Singapore

Controlling the light emitted by individual molecules is instrumental to a number of novel nanotechnologies ranging from super-resolution bio-imaging and molecular sensing to quantum nanophotonics. Molecular emission can be tailored by modifying the local photonic environment, for example by precisely placing a single molecule inside a plasmonic nanocavity with the help of DNA origami. Here, using this scalable approach, we show that commercial fluorophores experience giant Purcell factors and Lamb shifts, reaching values on par with those recently reported in scanning tip experiments. Engineering of plasmonic modes enables cavity-mediated fluorescence far detuned from the zero-phonon-line (ZPL) - at detunings that are up to two orders of magnitude larger than the fluorescence linewidth of the bare emitter and reach into the near-infrared. Our results evidence a regime where the emission linewidth is dominated by the excited state lifetime, as required for indistinguishable photon emission, baring relevance to the development of nanoscale, ultrafast quantum light sources and to the quest toward single-molecule cavity-QED. In the future, this approach may also allow to design efficient quantum emitters at infrared wavelengths, where standard organic sources have a reduced performance., Comment: Supplementary information included

Multi-mode superconducting circuits offer a promising platform for engineering robust systems for quantum computation. Previous studies have shown that single-mode devices cannot simultaneously exhibit resilience against multiple decoherence sources due to conflicting protection requirements. In contrast, multi-mode systems offer increased flexibility and have proven capable of overcoming these fundamental limitations. Nevertheless, exploring multi-mode architectures is computationally demanding due to the exponential scaling of the Hilbert space dimension. Here, we present a multi-mode device designed using evolutionary optimization techniques, which have been shown to be effective for this computational task. The proposed device was optimized to feature an anharmonicity of a third of the qubit frequency and reduced energy dispersion caused by charge and magnetic flux fluctuations. It exhibits improvements over the fundamental errors limiting Transmon and Fluxonium coherence and manipulation, aiming for a balance between low depolarization error and fast manipulation; furthermore demonstrating robustness against fabrication errors, a major limitation in many proposed multi-mode devices. Overall, by striking a balance between coupling matrix elements and noise protection, we propose a device that paves the way towards finding proper characteristics for the construction of superconducting quantum processors., Comment: 18 pages, 9 figures

In this work, we make new developments in generic cotangent bundle geometries, depending on all phase-space variables. In particular, we will focus on the so-called generalized Hamilton spaces, discussing how the main ingredients of this geometrical framework, such as the Hamiltonian and the nonlinear and affine connections, can be derived from a given metric. Several properties of this kind of spaces are demonstrated for autoparallel Hamiltonians. Moreover, we study the spacetime and momentum isometries of the metric. Finally, we discuss the possible applications of cotangent bundle geometries in quantum gravity, such as the construction of deformed relativistic kinematics and non-commutative spacetimes., Comment: 16 pages

Understanding planet formation is important in the context of the origin of planetary systems in general and of the Solar System in particular, as well as to predict the likelihood of finding Jupiter, Neptune, and Earth analogues around other stars. We aim to precisely determine the radii and dynamical masses of transiting planets orbiting the young M star AU Mic using public photometric and spectroscopic datasets. We characterise the stellar activity and physical properties (radius, mass, density) of the transiting planets in the young AU Mic system through joint transit and radial velocity fits with Gaussian processes. We determine a radius of $R^{b}$= 4.79 +/- 0.29 R$_\oplus$, a mass of $M^{b}$= 9.0 +/- 2.7 M$_\oplus$, and a bulk density of $\rho^{b}$ = 0.49 +/- 0.16 g cm$^{-3}$ for the innermost transiting planet AU Mic b. For the second known transiting planet, AU Mic c, we infer a radius of $R^{c}$= 2.79 +/- 0.18 R$_\oplus$, a mass of $M^{c}$= 14.5 +/- 3.4 M$_\oplus$, and a bulk density of $\rho^{c}$ = 3.90 +/- 1.17 g cm$^{-3}$. According to theoretical models, AU Mic b may harbour an H2 envelope larger than 5\% by mass, with a fraction of rock and a fraction of water. AU Mic c could be made of rock and/or water and may have an H2 atmosphere comprising at most 5\% of its mass. AU Mic b has retained most of its atmosphere but might lose it over tens of millions of years due to the strong stellar radiation, while AU Mic c likely suffers much less photo-evaporation because it lies at a larger separation from its host. Using all the datasets in hand, we determine a 3$\sigma$ upper mass limit of $M^{[d]}\sin{i}$ = 8.6 M$_{\oplus}$ for the AU Mic 'd' TTV-candidate. In addition, we do not confirm the recently proposed existence of the planet candidate AU Mic 'e' with an orbital period of 33.4 days., Comment: Accepted in A&A. 28 pages, 15 figures