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The discovery and identification of molecules in biological and environmental samples is crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry (MS/MS) is the leading technique for high-throughput elucidation of molecular structures. However, decoding a molecular structure from its mass spectrum is exceptionally challenging, even when performed by human experts. As a result, the vast majority of acquired MS/MS spectra remain uninterpreted, thereby limiting our understanding of the underlying (bio)chemical processes. Despite decades of progress in machine learning applications for predicting molecular structures from MS/MS spectra, the development of new methods is severely hindered by the lack of standard datasets and evaluation protocols. To address this problem, we propose MassSpecGym -- the first comprehensive benchmark for the discovery and identification of molecules from MS/MS data. Our benchmark comprises the largest publicly available collection of high-quality labeled MS/MS spectra and defines three MS/MS annotation challenges: \textit{de novo} molecular structure generation, molecule retrieval, and spectrum simulation. It includes new evaluation metrics and a generalization-demanding data split, therefore standardizing the MS/MS annotation tasks and rendering the problem accessible to the broad machine learning community. MassSpecGym is publicly available at \url{https://github.com/pluskal-lab/MassSpecGym}.

We investigate the stellar Mass-Metallicity Relation (MZR) using a sample of 637 quiescent galaxies with 10.4 <= log(M*/M ) < 11.7 selected from the LEGA-C survey at 0.6 <= z <= 1. We derive mass-weighted stellar metallicities using full-spectral fitting. We find that while lower-mass galaxies are both metal -rich and -poor, there are no metal-poor galaxies at high masses, and that metallicity is bounded at low values by a mass-dependent lower limit. This lower limit increases with mass, empirically defining a MEtallicity-Mass Exclusion (MEME) zone. We find that the spectral index MgFe = \sqrt{Mgb \times Fe4383}, a proxy for the stellar metallicity, also shows a mass-dependent lower limit resembling the MEME relation. Crucially, MgFe is independent of stellar population models and fitting methods. By constructing the Metallicity Enrichment Histories, we find that, after the first Gyr, the Star Formation History of galaxies has a mild impact on the observed metallicity distribution. Finally, from the average formation times, we find that galaxies populate differently the metallicity-mass plane at different cosmic times, and that the MEME limit is recovered by galaxies that formed at z >= 3. Our work suggests that the stellar metallicity of quiescent galaxies is bounded by a lower limit which increases with the stellar mass. On the other hand, low-mass galaxies can have metallicities as high as galaxies ~1 dex more massive. This suggests that, at log(M*/M ) >= 10.4, rather than lower-mass galaxies being systematically less metallic, the observed MZR might be a consequence of the lack of massive, metal-poor galaxies., Comment: Accepted for publication in A&A

The hierarchical model of galaxy evolution suggests that the impact of mergers is substantial on the intricate processes that drive stellar assembly within a galaxy. However, accurately measuring the contribution of accretion to a galaxy's total stellar mass and its balance with in-situ star formation poses a persistent challenge, as it is neither directly observable nor easily inferred from observational properties. Here, we present theory-motivated predictions for the fraction of stellar mass originating from mergers in a statistically significant sample of nearby galaxies, using data from MaNGA. Employing a robust machine learning model trained on mock MaNGA analogs (MaNGIA) in turn obtained from a cosmological simulation (TNG50), we unveil that in-situ stellar mass dominates almost across the entire stellar mass spectrum (1e9Msun < M* < 1e12Msun). Only in more massive galaxies (M* > 1e11Msun) does accreted mass become a substantial contributor, reaching up to 35-40% of the total stellar mass. Notably, the ex-situ stellar mass in the nearby universe exhibits significant dependence on galaxy characteristics, with higher accreted fractions favored by elliptical, quenched galaxies and slow rotators, as well as galaxies at the center of more massive dark matter halos., Comment: 16 pages, 7 Figures. Accepted for publication

Observations of nearby massive galaxies have revealed that they are older and richer in metals and magnesium than their low-mass counterparts. In particular, the overabundance of magnesium compared to iron, [Mg/Fe], is interpreted to reflect the short star formation history that the current massive galaxies underwent early in the Universe. We present a systematic revision of the [Mg/Fe] - velocity dispersion ($\sigma$) relation based on stacked spectra of early-type galaxies with a high signal-to-noise ratio from the Sloan Digital Sky Survey (SDSS). Using the penalized pixel-fitting (pPXF) method of Cappellari & Emsellem 2004 and the Vazdekis et al. 2015 MILES single stellar population (SSP) models, we fit a wide optical wavelength range to measure the net $\alpha$-abundance. The combination of pPXF and $\alpha$-enhanced MILES models incorrectly leads to an apparently decreasing trend of [$\alpha$/Fe] with velocity dispersion. We interpret this result as a consequence of variations in the individual abundances of the different $\alpha$-elements. This warrants caution for a na\"ive use of full spectral fitting algorithms paired with stellar population models that do not take individual elemental abundance variations into account, especially when deriving averaged quantities such as the mean [$\alpha$/Fe] of a stellar population. In addition, and based on line-strength measurements, we quantify the impact of a non-universal initial mass function on the recovered abundance pattern of galaxies. In particular, we find that a simultaneous fit of the slope of the initial mass function and the [Mg/Fe] results in a shallower [Mg/Fe]-$\sigma$ relation. Therefore, our results suggest that star formation in massive galaxies lasted longer than what has been reported previously, although it still occurred significantly faster than in the solar neighbourhood., Comment: 7 pages, 5 figures, accepted for publication in A&A

This manuscript aims to formalize and conclude the discussions initiated during the PriTEM workshop 22-23 March 2023. We present important ideas and discussion topics in the context of transactive energy systems. Moreover, the conclusions from the discussions articulate potential aspects to be explored in future studies on transactive energy management. Particularly, these conclusions cover research topics in energy technology and energy informatics, energy law, data law, energy market and socio-psychology that are relevant to the seamless integration of renewable energy resources and the transactive energy systems-in smart microgrids-focusing on distributed frameworks such as peer-to-peer (P2P) energy trading. We clarify issues, identify barriers, and suggest possible solutions to open questions in diversified topics, such as block-chain interoperability, consumer privacy and data sharing, and participation incentivization. Furthermore, we also elaborate challenges associated with cross-disciplinary collaboration and coordination for transactive energy systems, and enumerate the lessons learned from our work so far.

The 6G standard aims to be an integral part of the future economy by providing high-performance communication and sensing services. At terahertz (THz) frequencies, indoor campus networks can offer the highest sensing quality. Health monitoring in hospitals is expected to be an application site for these. This work outlines a monostatic phase-based system for breathing rate monitoring. Our feasibility study observes motion measurement accuracy down to the micrometer level. However, we also find that the patient's pose needs to be considered for generalized applicability. Thus, a solution that leverages multiple propagation paths and beam orientations is proposed., Comment: 5 pages, 10 figures. Accepted for presentation in: 2023 6th IEEE International Workshop on Mobile Terahertz Systems (IWMTS), Bonn, Germany, July 2023

We investigate the origin of stars in the innermost $500\,\mathrm{pc}$ of galaxies spanning stellar masses of $5\times10^{8-12}\,\mathrm{M}_{\odot}$ at $\mathrm{z=0}$ using the cosmological magnetohydrodynamical TNG50 simulation. Three different origins of stars comprise galactic centers: 1) in-situ (born in the center), 2) migrated (born elsewhere in the galaxy and ultimately moved to the center), 3) ex-situ (accreted from other galaxies). In-situ and migrated stars dominate the central stellar mass budget on average with 73% and 23% respectively. The ex-situ fraction rises above 1% for galaxies $\gtrsim10^{11}\,\mathrm{M}_{\odot}$. Yet, only 9% of all galaxies exhibit no ex-situ stars in their centers and the scatter of ex-situ mass is significant ($4-6\,\mathrm{dex}$). Migrated stars predominantly originate closely from the center ($1-2\,\mathrm{kpc}$), but if they travelled together in clumps distances reach $\sim10\,\mathrm{kpc}$. Central and satellite galaxies possess similar amounts and origins of central stars. Star forming galaxies ($\gtrsim10^{10}\,\mathrm{M}_{\odot}$) have on average more ex-situ mass in their centers than quenched ones. We predict readily observable stellar population and dynamical properties: 1) migrated stars are distinctly young ($\sim2\,\mathrm{Gyr}$) and rotationally supported, especially for Milky Way mass galaxies, 2) in-situ stars are most metal-rich and older than migrated stars, 3) ex-situ stars are on random motion dominated orbits and typically the oldest, most metal-poor and $\alpha$-enhanced population. We demonstrate that the interaction history with other galaxies leads to diverse pathways of building up galaxy centers in a $\Lambda$CDM universe. Our work highlights the necessity for cosmological context in formation scenarios of central galactic components and the potential to use galaxy centers as tracers of overall galaxy assembly., Comment: 24 pages, 13 Figures, published in MNRAS

Earthquakes, fire, and floods often cause structural collapses of buildings. The inspection of damaged buildings poses a high risk for emergency forces or is even impossible, though. We present three recent selected missions of the Robotics Task Force of the German Rescue Robotics Center, where both ground and aerial robots were used to explore destroyed buildings. We describe and reflect the missions as well as the lessons learned that have resulted from them. In order to make robots from research laboratories fit for real operations, realistic test environments were set up for outdoor and indoor use and tested in regular exercises by researchers and emergency forces. Based on this experience, the robots and their control software were significantly improved. Furthermore, top teams of researchers and first responders were formed, each with realistic assessments of the operational and practical suitability of robotic systems., Comment: 8 pages, 9 figures, PrePrint, Technical Report, German Rescue Robotic Center

Modern astronomical observations give unprecedented access to the physical properties of nearby galaxies, including spatially resolved stellar populations. However, observations can only give a present-day view of the Universe, whereas cosmological simulations give access to the past record of the processes that galaxies have experienced in their evolution. To connect the events that happened in the past with galactic properties as seen today, simulations must be taken to a common ground before being compared to observations. We emulate data from the MaNGA survey, which is the largest integral field spectroscopic galaxy survey to date with its 10,000 nearby galaxies of all types. For this, we use the cosmological simulations TNG50 to generate MaNGIA (Mapping Nearby Galaxies with IllustrisTNG Astrophysics), a mock MaNGA sample of similar size that emulates observations of galaxies for stellar population analysis. We choose TNG galaxies to match the MaNGA sample selection to limit the impact of selection effects. We produce MaNGA-like datacubes from all simulated galaxies, and process these with the pyPipe3D analysis code. This allows us to extract spatially resolved stellar maps. This first paper presents the approach to generate the mock sample and provides an initial exploration of its properties. We show that the stellar populations and kinematics of the simulated MaNGIA galaxies are overall in good agreement with observations. Specific discrepancies, especially in the age and metallicity gradients in low- to intermediate-mass regimes and in massive galaxies' kinematics, require further investigation. We compare our results to other attempts to mock similar observations, all of smaller data sets. Our final dataset will be released with the publication, consisting of >10,000 post-processed data-cubes analysed with pyPipe3D, along with the codes developed to create it., Comment: Submitted to A&A, 21 pages, 17 figures, 1 table

Context. Blob detection is a common problem in astronomy. One example is in stellar population modelling, where the distribution of stellar ages and metallicities in a galaxy is inferred from observations. In this context, blobs may correspond to stars born in-situ versus those accreted from satellites, and the task of blob detection is to disentangle these components. A difficulty arises when the distributions come with significant uncertainties, as is the case for stellar population recoveries inferred from modelling spectra of unresolved stellar systems. There is currently no satisfactory method for blob detection with uncertainties. Aims. We introduce a method for uncertainty-aware blob detection developed in the context of stellar population modelling of integrated-light spectra of stellar systems. Methods. We develop theory and computational tools for an uncertainty-aware version of the classic Laplacian-of-Gaussians method for blob detection, which we call ULoG. This identifies significant blobs considering a variety of scales. As a prerequisite to apply ULoG to stellar population modelling, we introduce a method for efficient computation of uncertainties for spectral modelling. This method is based on the truncated Singular Value Decomposition and Markov Chain Monte Carlo sampling (SVD-MCMC). Results. We apply the methods to data of the star cluster M54. We show that the SVD-MCMC inferences match those from standard MCMC, but are a factor 5-10 faster to compute. We apply ULoG to the inferred M54 age/metallicity distributions, identifying between 2 or 3 significant, distinct populations amongst its stars., Comment: Revision submitted to A&A, comments welcome