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Mar 9

waveOrder: generalist framework for label-agnostic computational microscopy

Correlative computational microscopy is accelerating the mapping of dynamic biological systems by integrating morphological and molecular measurements across spatial scales, from organelles to entire organisms. Visualization, measurement, and prediction of interactions among the components of biological systems can be accelerated by generalist computational imaging frameworks that relax the trade-offs imposed by multiplex dynamic imaging. This work reports a generalist framework for wave optical imaging of the architectural order (waveOrder) among biomolecules for encoding and decoding multiple specimen properties from a minimal set of acquired channels, with or without fluorescent labels. waveOrder expresses material properties in terms of elegant physically motivated basis vectors directly interpretable as phase, absorption, birefringence, diattenuation, and fluorophore density; and it expresses image data in terms of directly measurable Stokes parameters. We report a corresponding multi-channel reconstruction algorithm to recover specimen properties in multiple contrast modes. With this framework, we implement multiple 3D computational microscopy methods, including quantitative phase imaging, quantitative label-free imaging with phase and polarization, and fluorescence deconvolution imaging, across scales ranging from organelles to whole zebrafish. These advances are available via an extensible open-source computational imaging library, waveOrder, and a napari plugin, recOrder.

  • 9 authors
·
Dec 12, 2024

Enhancing Fluorescence Lifetime Parameter Estimation Accuracy with Differential Transformer Based Deep Learning Model Incorporating Pixelwise Instrument Response Function

Fluorescence Lifetime Imaging (FLI) is a critical molecular imaging modality that provides unique information about the tissue microenvironment, which is invaluable for biomedical applications. FLI operates by acquiring and analyzing photon time-of-arrival histograms to extract quantitative parameters associated with temporal fluorescence decay. These histograms are influenced by the intrinsic properties of the fluorophore, instrument parameters, time-of-flight distributions associated with pixel-wise variations in the topographic and optical characteristics of the sample. Recent advancements in Deep Learning (DL) have enabled improved fluorescence lifetime parameter estimation. However, existing models are primarily designed for planar surface samples, limiting their applicability in translational scenarios involving complex surface profiles, such as in-vivo whole-animal or imaged guided surgical applications. To address this limitation, we present MFliNet (Macroscopic FLI Network), a novel DL architecture that integrates the Instrument Response Function (IRF) as an additional input alongside experimental photon time-of-arrival histograms. Leveraging the capabilities of a Differential Transformer encoder-decoder architecture, MFliNet effectively focuses on critical input features, such as variations in photon time-of-arrival distributions. We evaluate MFliNet using rigorously designed tissue-mimicking phantoms and preclinical in-vivo cancer xenograft models. Our results demonstrate the model's robustness and suitability for complex macroscopic FLI applications, offering new opportunities for advanced biomedical imaging in diverse and challenging settings.

  • 7 authors
·
Nov 25, 2024

EvidenceMoE: A Physics-Guided Mixture-of-Experts with Evidential Critics for Advancing Fluorescence Light Detection and Ranging in Scattering Media

Fluorescence LiDAR (FLiDAR), a Light Detection and Ranging (LiDAR) technology employed for distance and depth estimation across medical, automotive, and other fields, encounters significant computational challenges in scattering media. The complex nature of the acquired FLiDAR signal, particularly in such environments, makes isolating photon time-of-flight (related to target depth) and intrinsic fluorescence lifetime exceptionally difficult, thus limiting the effectiveness of current analytical and computational methodologies. To overcome this limitation, we present a Physics-Guided Mixture-of-Experts (MoE) framework tailored for specialized modeling of diverse temporal components. In contrast to the conventional MoE approaches our expert models are informed by underlying physics, such as the radiative transport equation governing photon propagation in scattering media. Central to our approach is EvidenceMoE, which integrates Evidence-Based Dirichlet Critics (EDCs). These critic models assess the reliability of each expert's output by providing per-expert quality scores and corrective feedback. A Decider Network then leverages this information to fuse expert predictions into a robust final estimate adaptively. We validate our method using realistically simulated Fluorescence LiDAR (FLiDAR) data for non-invasive cancer cell depth detection generated from photon transport models in tissue. Our framework demonstrates strong performance, achieving a normalized root mean squared error (NRMSE) of 0.030 for depth estimation and 0.074 for fluorescence lifetime.

  • 9 authors
·
May 23, 2025

The chemical inventory of the planet-hosting disk PDS 70

As host to two accreting planets, PDS 70 provides a unique opportunity to probe the chemical complexity of atmosphere-forming material. We present ALMA Band 6 observations of the PDS~70 disk and report the first chemical inventory of the system. With a spatial resolution of 0.4''-0.5'' (sim50 au), 12 species are detected, including CO isotopologues and formaldehyde, small hydrocarbons, HCN and HCO+ isotopologues, and S-bearing molecules. SO and CH3OH are not detected. All lines show a large cavity at the center of the disk, indicative of the deep gap carved by the massive planets. The radial profiles of the line emission are compared to the (sub-)mm continuum and infrared scattered light intensity profiles. Different molecular transitions peak at different radii, revealing the complex interplay between density, temperature and chemistry in setting molecular abundances. Column densities and optical depth profiles are derived for all detected molecules, and upper limits obtained for the non detections. Excitation temperature is obtained for H2CO. Deuteration and nitrogen fractionation profiles from the hydro-cyanide lines show radially increasing fractionation levels. Comparison of the disk chemical inventory to grids of chemical models from the literature strongly suggests a disk molecular layer hosting a carbon to oxygen ratio C/O>1, thus providing for the first time compelling evidence of planets actively accreting high C/O ratio gas at present time.

  • 6 authors
·
Jan 20, 2021

Planck 2018 results. VI. Cosmological parameters

We present cosmological parameter results from the final full-mission Planck measurements of the CMB anisotropies. We find good consistency with the standard spatially-flat 6-parameter LambdaCDM cosmology having a power-law spectrum of adiabatic scalar perturbations (denoted "base LambdaCDM" in this paper), from polarization, temperature, and lensing, separately and in combination. A combined analysis gives dark matter density Omega_c h^2 = 0.120pm 0.001, baryon density Omega_b h^2 = 0.0224pm 0.0001, scalar spectral index n_s = 0.965pm 0.004, and optical depth tau = 0.054pm 0.007 (in this abstract we quote 68,% confidence regions on measured parameters and 95,% on upper limits). The angular acoustic scale is measured to 0.03,% precision, with 100theta_*=1.0411pm 0.0003. These results are only weakly dependent on the cosmological model and remain stable, with somewhat increased errors, in many commonly considered extensions. Assuming the base-LambdaCDM cosmology, the inferred late-Universe parameters are: Hubble constant H_0 = (67.4pm 0.5)km/s/Mpc; matter density parameter Omega_m = 0.315pm 0.007; and matter fluctuation amplitude sigma_8 = 0.811pm 0.006. We find no compelling evidence for extensions to the base-LambdaCDM model. Combining with BAO we constrain the effective extra relativistic degrees of freedom to be N_{rm eff} = 2.99pm 0.17, and the neutrino mass is tightly constrained to sum m_nu< 0.12eV. The CMB spectra continue to prefer higher lensing amplitudes than predicted in base -LambdaCDM at over 2,sigma, which pulls some parameters that affect the lensing amplitude away from the base-LambdaCDM model; however, this is not supported by the lensing reconstruction or (in models that also change the background geometry) BAO data. (Abridged)

  • 182 authors
·
Jul 17, 2018

Mantis Shrimp: Exploring Photometric Band Utilization in Computer Vision Networks for Photometric Redshift Estimation

We present Mantis Shrimp, a multi-survey deep learning model for photometric redshift estimation that fuses ultra-violet (GALEX), optical (PanSTARRS), and infrared (UnWISE) imagery. Machine learning is now an established approach for photometric redshift estimation, with generally acknowledged higher performance in areas with a high density of spectroscopically identified galaxies over template-based methods. Multiple works have shown that image-based convolutional neural networks can outperform tabular-based color/magnitude models. In comparison to tabular models, image models have additional design complexities: it is largely unknown how to fuse inputs from different instruments which have different resolutions or noise properties. The Mantis Shrimp model estimates the conditional density estimate of redshift using cutout images. The density estimates are well calibrated and the point estimates perform well in the distribution of available spectroscopically confirmed galaxies with (bias = 1e-2), scatter (NMAD = 2.44e-2) and catastrophic outlier rate (eta=17.53%). We find that early fusion approaches (e.g., resampling and stacking images from different instruments) match the performance of late fusion approaches (e.g., concatenating latent space representations), so that the design choice ultimately is left to the user. Finally, we study how the models learn to use information across bands, finding evidence that our models successfully incorporates information from all surveys. The applicability of our model to the analysis of large populations of galaxies is limited by the speed of downloading cutouts from external servers; however, our model could be useful in smaller studies such as generating priors over redshift for stellar population synthesis.

  • 6 authors
·
Jan 15, 2025

A multi-reconstruction study of breast density estimation using Deep Learning

Breast density estimation is one of the key tasks in recognizing individuals predisposed to breast cancer. It is often challenging because of low contrast and fluctuations in mammograms' fatty tissue background. Most of the time, the breast density is estimated manually where a radiologist assigns one of the four density categories decided by the Breast Imaging and Reporting Data Systems (BI-RADS). There have been efforts in the direction of automating a breast density classification pipeline. Breast density estimation is one of the key tasks performed during a screening exam. Dense breasts are more susceptible to breast cancer. The density estimation is challenging because of low contrast and fluctuations in mammograms' fatty tissue background. Traditional mammograms are being replaced by tomosynthesis and its other low radiation dose variants (for example Hologic' Intelligent 2D and C-View). Because of the low-dose requirement, increasingly more screening centers are favoring the Intelligent 2D view and C-View. Deep-learning studies for breast density estimation use only a single modality for training a neural network. However, doing so restricts the number of images in the dataset. In this paper, we show that a neural network trained on all the modalities at once performs better than a neural network trained on any single modality. We discuss these results using the area under the receiver operator characteristics curves.

  • 5 authors
·
Feb 16, 2022

First Light And Reionisation Epoch Simulations (FLARES) II: The Photometric Properties of High-Redshift Galaxies

We present the photometric properties of galaxies in the First Light and Reionisation Epoch Simulations (FLARES). The simulations trace the evolution of galaxies in a range of overdensities through the Epoch of Reionistion (EoR). With a novel weighting scheme we combine these overdensities, extending significantly the dynamic range of observed composite distribution functions compared to periodic simulation boxes. FLARES predicts a significantly larger number of intrinsically bright galaxies, which can be explained through a simple model linking dust-attenuation to the metal content of the interstellar medium, using a line-of-sight (LOS) extinction model. With this model we present the photometric properties of the FLARES galaxies for z in [5,10]. We show that the ultraviolet (UV) luminosity function (LF) matches the observations at all redshifts. The function is fit by Schechter and double power-law forms, with the latter being favoured at these redshifts by the FLARES composite UV LF. We also present predictions for the UV continuum slope as well as the attenuation in the UV. The impact of environment on the UV LF is also explored, with the brightest galaxies forming in the densest environments. We then present the line luminosity and equivalent widths of some prominent nebular emission lines arising from the galaxies, finding rough agreement with available observations. We also look at the relative contribution of obscured and unobscured star formation, finding comparable contributions at these redshifts.

  • 8 authors
·
Aug 13, 2020

An Atlas of Color-selected Quiescent Galaxies at z>3 in Public JWST Fields

We present the results of a systematic search for candidate quiescent galaxies in the distant Universe in eleven JWST fields with publicly available observations collected during the first three months of operations and covering an effective sky area of sim145 arcmin^2. We homogeneously reduce the new JWST data and combine them with existing observations from the Hubble,Space,Telescope. We select a robust sample of sim80 candidate quiescent and quenching galaxies at 3 < z < 5 using two methods: (1) based on their rest-frame UVJ colors, and (2) a novel quantitative approach based on Gaussian Mixture Modeling of the NUV-U, U-V, and V-J rest-frame color space, which is more sensitive to recently quenched objects. We measure comoving number densities of massive (M_stargeq 10^{10.6} M_odot) quiescent galaxies consistent with previous estimates relying on ground-based observations, after homogenizing the results in the literature with our mass and redshift intervals. However, we find significant field-to-field variations of the number densities up to a factor of 2-3, highlighting the effect of cosmic variance and suggesting the presence of overdensities of red quiescent galaxies at z>3, as it could be expected for highly clustered massive systems. Importantly, JWST enables the robust identification of quenching/quiescent galaxy candidates at lower masses and higher redshifts than before, challenging standard formation scenarios. All data products, including the literature compilation, are made publicly available.

  • 27 authors
·
Feb 21, 2023

The challenge of simulating the star cluster population of dwarf galaxies with resolved interstellar medium

We present results on the star cluster properties from a series of high resolution smoothed particles hydrodynamics (SPH) simulations of isolated dwarf galaxies as part of the GRIFFIN project. The simulations at sub-parsec spatial resolution and a minimum particle mass of 4 M_odot incorporate non-equilibrium heating, cooling and chemistry processes, and realise individual massive stars. All the simulations follow feedback channels of massive stars that include the interstellar-radiation field, that is variable in space and time, the radiation input by photo-ionisation and supernova explosions. Varying the star formation efficiency per free-fall time in the range epsilon_ff = 0.2 - 50% neither changes the star formation rates nor the outflow rates. While the environmental densities at star formation change significantly with epsilon_ff, the ambient densities of supernovae are independent of epsilon_ff indicating a decoupling of the two processes. At low epsilon_ff, more massive, and increasingly more bound star clusters are formed, which are typically not destroyed. With increasing epsilon_ff there is a trend for shallower cluster mass functions and the cluster formation efficiency Gamma for young bound clusters decreases from 50 % to sim 1 % showing evidence for cluster disruption. However, none of our simulations form low mass (< 10^3 M_odot) clusters with structural properties in perfect agreement with observations. Traditional star formation models used in galaxy formation simulations based on local free-fall times might therefore not be able to capture low mass star cluster properties without significant fine-tuning.

  • 7 authors
·
Sep 16, 2021

AutoKnots: Adaptive Knot Allocation for Spline Interpolation

In astrophysical and cosmological analyses, the increasing quality and volume of astronomical data demand efficient and precise computational tools. This work introduces a novel adaptive algorithm for automatic knots (AutoKnots) allocation in spline interpolation, designed to meet user-defined precision requirements. Unlike traditional methods that rely on manually configured knot distributions with numerous parameters, the proposed technique automatically determines the optimal number and placement of knots based on interpolation error criteria. This simplifies configuration, often requiring only a single parameter. The algorithm progressively improves the interpolation by adaptively sampling the function-to-be-approximated, f(x), in regions where the interpolation error exceeds the desired threshold. All function evaluations contribute directly to the final approximation, ensuring efficiency. While each resampling step involves recomputing the interpolation table, this process is highly optimized and usually computationally negligible compared to the cost of evaluating f(x). We show the algorithm's efficacy through a series of precision tests on different functions. However, the study underscores the necessity for caution when dealing with certain function types, notably those featuring plateaus. To address this challenge, a heuristic enhancement is incorporated, improving accuracy in flat regions. This algorithm has been extensively used and tested over the years. NumCosmo includes a comprehensive set of unit tests that rigorously evaluate the algorithm both directly and indirectly, underscoring its robustness and reliability. As a practical application, we compute the surface mass density Sigma(R) and the average surface mass density Sigma(<R) for Navarro-Frenk-White and Hernquist halo density profiles, which provide analytical benchmarks. (abridged)

  • 4 authors
·
Dec 17, 2024

The FAST HI 21-cm absorption blind survey. II. -- Statistic Exploration for Associated and Intervening systems

We present an extragalactic HI 21-cm absorption lines catalog from a blind search at z leqslant 0.35, using drift-scan data collected in 1325.6 hours by the ongoing Commensal Radio Astronomy FasT Survey (CRAFTS) and FAST All Sky HI Survey (FASHI), which spans a sky area of 6072.0 deg^{2} and covers 84533 radio sources with a flux density greater than 12 mJy. 14 previously identified HI absorbers and 20 newly discovered HI absorbers were detected, comprising 15 associated systems, 10 intervening systems, and 9 systems with undetermined classifications. Through spectral stacking, the mean peak optical path, mean velocity-integrated optical path, mean FWHM and mean HI column density are measured to be 0.47 and 0.30; 27.19 and 4.36 km s^{-1}; 42.61 and 9.33 km s^{-1}; 0.49 and 0.08 T_{s} times 10^{20}cm^{-2}K^{-1}, for the associated and intervening samples, respectively. Statistical analysis also reveals that associated systems tend to be hosted by red (g-r>0.7) galaxies at lower redshifts, whereas galaxies hosting intervening HI absorption are typically found at higher redshifts and are of a bluer (g-rleqslant0.7) type. A noticeable difference is observed in the positions of foregrounds, backgrounds of intervening systems, and high-redshift and low-redshift associated systems on the WISE color-color diagram. All identified foreground sources in our sample have W1-W2 magnitudes below 0.8, suggesting no Active Galactic Nuclei (AGN). In contrast, backgrounds of intervening systems tend to have W1-W2 magnitudes above 0.8, indicating AGN presence. For associated absorption, most low-redshift (zleqslant0.5) systems show W1-W2 values below 0.8, while higher-redshift associated absorption (z>0.5) displays a broader range of W1-W2 values.

  • 15 authors
·
Jul 19, 2024

Searching for Materials with High Refractive Index and Wide Band Gap: A First-Principles High-Throughput Study

Materials combining both a high refractive index and a wide band gap are of great interest for optoelectronic and sensor applications. However, these two properties are typically described by an inverse correlation with high refractive index appearing in small gap materials and vice-versa. Here, we conduct a first-principles high-throughput study on more than 4000 semiconductors (with a special focus on oxides). Our data confirm the general inverse trend between refractive index and band gap but interesting outliers are also identified. The data are then analyzed through a simple model involving two main descriptors: the average optical gap and the effective frequency. The former can be determined directly from the electronic structure of the compounds, but the latter cannot. This calls for further analysis in order to obtain a predictive model. Nonetheless, it turns out that the negative effect of a large band gap on the refractive index can counterbalanced in two ways: (i) by limiting the difference between the direct band gap and the average optical gap which can be realized by a narrow distribution in energy of the optical transitions and (ii) by increasing the effective frequency which can be achieved through either a high number of transitions from the top of the valence band to the bottom of the conduction or a high average probability for these transitions. Focusing on oxides, we use our data to investigate how the chemistry influences this inverse relationship and rationalize why certain classes of materials would perform better. Our findings can be used to search for new compounds in many optical applications both in the linear and non-linear regime (waveguides, optical modulators, laser, frequency converter, etc.).

  • 6 authors
·
Sep 4, 2018

Dark Matter Subhalos and Higher Order Catastrophes in Gravitational Wave Lensing

Gravitational lensing is an invaluable probe of the nature of dark matter, and the structures it forms. Lensed gravitational waves in particular allow for unparalleled sensitivity to small scale structures within the lenses, due to the precise time resolution in combination with the continuous monitoring of the entire sky. In this work, we show two distinct ways of using strongly lensed gravitational waves to identify the presence of dark matter subhalos: {i)} through higher order caustics generating high relative magnification (mu_r > 2), short time delay image pairs that break the caustic universality relations of single dark matter halos, which occur for sim 1-10 percent of strongly lensed events in our cold dark matter models, and ii) through the presence of more than three highly magnified images, which occur for sim 0.01-1 percent of the same simulated events. We find that these results are highly sensitive to the concentrations of subhalos in our simulations, and more mildly to their number densities. The presence of low-mass subhalos increases the probability of observing wave-optics lensing in lensed gravitational waves, which is studied by solving the diffraction integral with the stationary phase approximation, as well as numerically. We also report distinct quantitative and qualitative differences in the distributions of relative magnifications and time delays for subhalo populations with increased number densities or concentrations. With the upcoming detection of strongly lensed events by ground- and space- based detectors, comparisons against these simulated distributions will provide insight into the nature of dark matter.

  • 5 authors
·
Oct 16, 2025

PDRs4All. XII. FUV-driven formation of hydrocarbon radicals and their relation with PAHs

We present subarcsecond-resolution ALMA mosaics of the Orion Bar PDR in [CI] 609 um, C2H (4-3), and C18O (3-2) emission lines, complemented by JWST images of H2 and aromatic infrared band (AIB) emission. The rim of the Bar shows very corrugated structures made of small-scale H2 dissociation fronts (DFs). The [CI] 609 um emission peaks very close (~0.002 pc) to the main H2-emitting DFs, suggesting the presence of gas density gradients. These DFs are also bright and remarkably similar in C2H emission, which traces 'hydrocarbon radical peaks' characterized by very high C2H abundances, reaching up to several x10^-7. The high abundance of C2H and of related hydrocarbon radicals, such as CH3, CH2, and CH, can be attributed to gas-phase reactions driven by elevated temperatures, the presence of C+ and C, and the reactivity of FUV-pumped H2. The hydrocarbon radical peaks roughly coincide with maxima of the 3.4/3.3 um AIB intensity ratio, a proxy for the aliphatic-to-aromatic content of PAHs. This implies that the conditions triggering the formation of simple hydrocarbons also favor the formation (and survival) of PAHs with aliphatic side groups, potentially via the contribution of bottom-up processes in which abundant hydrocarbon radicals react in situ with PAHs. Ahead of the DFs, in the atomic PDR zone (where [H]>>[H2]), the AIB emission is brightest, but small PAHs and carbonaceous grains undergo photo-processing due to the stronger FUV field. Our detection of trace amounts of C2H in this zone may result from the photoerosion of these species. This study provides a spatially resolved view of the chemical stratification of key carbon carriers in a PDR. Overall, both bottom-up and top-down processes appear to link simple hydrocarbon molecules with PAHs in molecular clouds; however, the exact chemical pathways and their relative contributions remain to be quantified.

  • 28 authors
·
Mar 5, 2025

First Light And Reionisation Epoch Simulations (FLARES) I: Environmental Dependence of High-Redshift Galaxy Evolution

We introduce the First Light And Reionisation Epoch Simulations (FLARES), a suite of zoom simulations using the EAGLE model. We resimulate a range of overdensities during the Epoch of Reionisation (EoR) in order to build composite distribution functions, as well as explore the environmental dependence of galaxy formation and evolution during this critical period of galaxy assembly. The regions are selected from a large (3.2 ;cGpc)^{3} parent volume, based on their overdensity within a sphere of radius 14,h^{-1};cMpc. We then resimulate with full hydrodynamics, and employ a novel weighting scheme that allows the construction of composite distribution functions that are representative of the full parent volume. This significantly extends the dynamic range compared to smaller volume periodic simulations. We present an analysis of the galaxy stellar mass function (GSMF), the star formation rate distribution function (SFRF) and the star forming sequence (SFS) predicted by \flares, and compare to a number of observational and model constraints. We also analyse the environmental dependence over an unprecedented range of overdensity. Both the GSMF and the SFRF exhibit a clear double-Schechter form, up to the highest redshifts (z = 10). We also find no environmental dependence of the SFS normalisation. The increased dynamic range probed by FLARES will allow us to make predictions for a number of large area surveys that will probe the EoR in coming years, such as WFIRST and Euclid.

  • 7 authors
·
Apr 15, 2020

oMEGACat. VII. Tracing Interstellar and Intracluster Medium of ω Centauri using Sodium Absorptions

We investigate the foreground interstellar medium along the line of sight and intracluster medium of omega Centauri (omega Cen) by measuring the equivalent width of Na I D absorptions from MUSE observations. The large line-of-sight velocity difference between omega Cen and the foreground enables us to separate Na I D absorption contributed from atomic gas in the interstellar and intracluster medium. We find that small-scale substructures in the foreground Na I D distribution correlate with differential reddening derived from photometric methods. Using an empirical Na I D equivalent width-reddening relation, we determine an average reddening of E(B-V)=0.153pm0.003 mag within the half-light radius of omega Cen. However, the Na I D-inferred differential reddening is significantly larger than photometric estimates. This is likely due to scatter in the Na I D-reddening relation. We find no evidence for intracluster atomic gas from spectra of horizontal branch stars, as there is no significant Na I D absorption at omega Cen's systemic velocity. Given this non-detection, we place the strongest upper limit to date on the intracluster atomic gas column density in omega Cen of lesssim2.17 times 10^{18}~cm^{-2}. We also estimate the ionized gas density from pulsar dispersion measure variations, which exceed the atomic gas limit by sim50 times. Nevertheless, the strong correlation between dispersion measure and foreground Na I D suggests that much or all of this ionized gas resides in the foreground. Given ongoing mass loss from bright giant stars, our findings imply that the intracluster gas accumulation timescale is short, and gas removal in the cluster is likely not tied to stripping as omega Cen passes through the Galactic disk.

  • 17 authors
·
Sep 30, 2025

The dark side of early galaxies: geko uncovers dark-matter fractions at zsim4-6

JWST/NIRCam slitless spectroscopy enables dynamical mass measurements for typical star-forming galaxies only a billion years after the Big Bang. We model the Halpha morpho-kinematics of 163 galaxies at redshift zapprox4-6 from FRESCO and CONGRESS (with JADES imaging), using the geko code, and infer rotational velocities and dispersions within r_{rm e}. Our sample spans log M_{star}approx7-10 and log M_{rm dyn}approx9-11. Gas masses are estimated via scaling relations, yielding baryonic masses and dark-matter (DM) fractions f_{rm DM}(r<r_{rm e}) within the Halpha half-light radius. We find high median fractions of langle f_{rm gas}rangle=0.77 and langle f_{rm DM}rangle=0.73, where f_{rm gas} is measured with respect to the baryonic mass and f_{rm DM} with respect to the DM+baryonic mass. About two-thirds of systems are DM-dominated within r_{rm e}sim0.5-1 kpc. Both f_{rm gas} and f_{rm DM} decrease with stellar mass, consistent with simulations. The stellar Tully-Fisher relation shows a tentative offset to higher v_{rm circ} at fixed M_{star} and substantial intrinsic scatter, suggesting that the relation is only beginning to emerge at zsim5. We measure a negative correlation between f_{rm DM} and baryonic surface density Sigma_{rm bar}, weaker but broadly consistent with trends at cosmic noon and at zsim0. Qualitatively comparing with modified NFW profiles coupled to an empirical stellar-to-halo mass relation suggests that the lowest f_{rm DM} (lesssim0.4) require cored inner DM profiles, while the highest fractions favour cuspier profiles, potentially reflecting adiabatic contraction. Overall, the elevated f_{rm gas} and f_{rm DM} at zgtrsim4 are compatible with progenitors of baryon-dominated systems at zsim2 and naturally anticipate overmassive black holes at fixed M_{star}.

  • 18 authors
·
Oct 16, 2025

Using Strong Lensing to Detect Subhalos with Steep Inner Density Profiles

The inner region of a subhalo's density distribution is particularly sensitive to dark matter microphysics, with alternative dark matter models leading to both cored and steeply-rising inner density profiles. This work investigates how the lensing signature and detectability of dark matter subhalos in mock HST-, Euclid-, and JWST-like strong lensing observations depends on the subhalo's radial density profile, especially with regards to the inner power-law slope, beta. We demonstrate that the minimum-mass subhalo detectable along the Einstein ring of a system is strongly dependent on beta. In particular, we show that subhalos with beta sim 2.2 can be detected down to masses over an order-of-magnitude lower than their Navarro-Frenk-White (NFW) counterparts with beta sim 1. Importantly, we find that the detectability of subhalos with steep inner profiles is minimally affected by increasing the complexity of the main lens galaxy's mass model. This is a unique characteristic of these subhalos, as those with NFW or shallower profiles become essentially undetectable when multipole perturbations are added to the lens model. The results of this work highlight how the underlying dark matter physics can significantly impact the expected number of subhalo detections from strong gravitational lensing observations. This is important for testing Cold Dark Matter against alternatives, such as Self-Interacting Dark Matter, which predict the existence of subhalos with diverse inner density profiles.

  • 5 authors
·
Oct 20, 2025

Precision measurement of the last bound states in H_2 and determination of the H + H scattering length

The binding energies of the five bound rotational levels J=0-4 in the highest vibrational level v=14 in the X^1Sigma_g^+ ground electronic state of H_2 were measured in a three-step ultraviolet-laser experiment. Two-photon UV-photolysis of H_2S produced population in these high-lying bound states, that were subsequently interrogated at high precision via Doppler-free spectroscopy of the F^1Sigma_g^+ - X^1Sigma_g^+ system. A third UV-laser was used for detection through auto-ionizing resonances. The experimentally determined binding energies were found to be in excellent agreement with calculations based on non-adiabatic perturbation theory, also including relativistic and quantum electrodynamical contributions. The s-wave scattering length of the H + H system is derived from the binding energy of the last bound J=0 level via a direct semi-empirical approach, yielding a value of a_s = 0.2724(5) a_0, in good agreement with a result from a previously followed theoretical approach. The subtle effect of the malpha^4 relativity contribution to a_s was found to be significant. In a similar manner a value for the p-wave scattering volume is determined via the J=1 binding energy yielding a_p = -134.0000(6) a_0^3. The binding energy of the last bound state in H_2, the (v=14, J=4) level, is determined at 0.023(4) cm^{-1}, in good agreement with calculation. The effect of the hyperfine substructure caused by the two hydrogen atoms at large internuclear separation, giving rise to three distinct dissociation limits, is discussed.

  • 3 authors
·
Feb 3, 2025

Environmental dependence of galaxy properties in the southern GAMA regions

Using data from the Galaxy and Mass Assembly (GAMA) survey, we investigate how galaxy properties correlate with the local environment, focusing on the two southern regions of the survey (G02 and G23) that have not previously been examined in this context. We employ two-point and marked correlation functions to quantify the environmental dependence of galaxy color, stellar mass, luminosity across the u, g, r, J, and K bands, as well as star formation rate (SFR) and specific star formation rate (sSFR). We also assess the impact of redshift incompleteness and cosmic variance on these clustering measurements. Our results show that u-r and g-r colors are most strongly correlated with local overdensity, followed by stellar mass. The sSFR exhibits a clear inverse relationship with density of the environment, consistent with the trend observed for u-band luminosity, which traces young stellar populations. In contrast, galaxies brighter in the g, J, and K bands preferentially inhabit denser regions. By comparing our measurements from the southern regions with those from the equatorial regions of GAMA, we find that cosmic variance does not significantly influence our conclusions. However, redshift incompleteness affects the clustering measurements, as revealed through comparisons of subsets within the G02 region. The measured correlations provide key constraints for models of galaxy assembly across mass and environment, while the environmental trends in color and near-infrared luminosity offer a means to trace stellar mass growth and quenching with redshift.

  • 7 authors
·
May 15, 2025

Volume Rendering of Neural Implicit Surfaces

Neural volume rendering became increasingly popular recently due to its success in synthesizing novel views of a scene from a sparse set of input images. So far, the geometry learned by neural volume rendering techniques was modeled using a generic density function. Furthermore, the geometry itself was extracted using an arbitrary level set of the density function leading to a noisy, often low fidelity reconstruction. The goal of this paper is to improve geometry representation and reconstruction in neural volume rendering. We achieve that by modeling the volume density as a function of the geometry. This is in contrast to previous work modeling the geometry as a function of the volume density. In more detail, we define the volume density function as Laplace's cumulative distribution function (CDF) applied to a signed distance function (SDF) representation. This simple density representation has three benefits: (i) it provides a useful inductive bias to the geometry learned in the neural volume rendering process; (ii) it facilitates a bound on the opacity approximation error, leading to an accurate sampling of the viewing ray. Accurate sampling is important to provide a precise coupling of geometry and radiance; and (iii) it allows efficient unsupervised disentanglement of shape and appearance in volume rendering. Applying this new density representation to challenging scene multiview datasets produced high quality geometry reconstructions, outperforming relevant baselines. Furthermore, switching shape and appearance between scenes is possible due to the disentanglement of the two.

  • 4 authors
·
Jun 22, 2021

Harnessing Density Ratios for Online Reinforcement Learning

The theories of offline and online reinforcement learning, despite having evolved in parallel, have begun to show signs of the possibility for a unification, with algorithms and analysis techniques for one setting often having natural counterparts in the other. However, the notion of density ratio modeling, an emerging paradigm in offline RL, has been largely absent from online RL, perhaps for good reason: the very existence and boundedness of density ratios relies on access to an exploratory dataset with good coverage, but the core challenge in online RL is to collect such a dataset without having one to start. In this work we show -- perhaps surprisingly -- that density ratio-based algorithms have online counterparts. Assuming only the existence of an exploratory distribution with good coverage, a structural condition known as coverability (Xie et al., 2023), we give a new algorithm (GLOW) that uses density ratio realizability and value function realizability to perform sample-efficient online exploration. GLOW addresses unbounded density ratios via careful use of truncation, and combines this with optimism to guide exploration. GLOW is computationally inefficient; we complement it with a more efficient counterpart, HyGLOW, for the Hybrid RL setting (Song et al., 2022) wherein online RL is augmented with additional offline data. HyGLOW is derived as a special case of a more general meta-algorithm that provides a provable black-box reduction from hybrid RL to offline RL, which may be of independent interest.

  • 5 authors
·
Jan 17, 2024

First Light And Reionisation Epoch Simulations (FLARES) XII: The consequences of star-dust geometry on galaxies in the EoR

Using the First Light And Reionisation Epoch Simulations ({rm F{small LARES}}), a suite of hydrodynamical simulations we explore the consequences of a realistic model for star--dust geometry on the observed properties of galaxies. We find that the UV attenuation declines rapidly from the central regions of galaxies, and bright galaxies have spatially extended star formation that suffers less obscuration than their fainter counterparts, demonstrating a non-linear relationship between the UV luminosity and the UV attenuation, giving a double power-law shape to the UVLF. Spatially distinct stellar populations within galaxies experience a wide range of dust attenuation due to variations in the dust optical depth along their line-of-sight; which can range from completely dust obscured to being fully unobscured. The overall attenuation curve of a galaxy is then a complex combination of various lines-of-sight within the galaxy. We explore the manifestation of this effect to study the reliability of line ratios to infer galaxy properties, in particular the Balmer decrement and the BPT diagram. We find the Balmer decrement predicted Balmer line attenuation to be higher (factor of 1 to gtrsim10) than expected from commonly used attenuation curves. The observed BPT line ratios deviate from their intrinsic values (median difference of 0.08 (0.02) and standard deviation of 0.2 (0.05) for log_{10}([N{small II}]lambda 6585/H_{alpha}) (log_{10}([O{small III}]lambda 5008/H_{beta})). Finally, we explore the variation in observed properties (UV attenuation, UV slope and Balmer decrement) with viewing angle, finding average differences of sim0.3 magnitudes in the UV attenuation.

  • 8 authors
·
Mar 7, 2023

Flying Triangulation - towards the 3D movie camera

Flying Triangulation sensors enable a free-hand and motion-robust 3D data acquisition of complex shaped objects. The measurement principle is based on a multi-line light-sectioning approach and uses sophisticated algorithms for real-time registration (S. Ettl et al., Appl. Opt. 51 (2012) 281-289). As "single-shot principle", light sectioning enables the option to get surface data from one single camera exposure. But there is a drawback: A pixel-dense measurement is not possible because of fundamental information-theoretical reasons. By "pixel-dense" we understand that each pixel displays individually measured distance information, neither interpolated from its neighbour pixels nor using lateral context information. Hence, for monomodal single-shot principles, the 3D data generated from one 2D raw image display a significantly lower space-bandwidth than the camera permits. This is the price one must pay for motion robustness. Currently, our sensors project about 10 lines (each with 1000 pixels), reaching an considerable lower data efficiency than theoretically possible for a single-shot sensor. Our aim is to push Flying Triangulation to its information-theoretical limits. Therefore, the line density as well as the measurement depth needs to be significantly increased. This causes serious indexing ambiguities. On the road to a single-shot 3D movie camera, we are working on solutions to overcome the problem of false line indexing by utilizing yet unexploited information. We will present several approaches and will discuss profound information-theoretical questions about the information efficiency of 3D sensors.

  • 4 authors
·
May 17, 2013

Exploring the Current Star Formation Rate and Nebula Ratio of Star-Formation Galaxies at z < 0.4 with FADO

The star formation rate is a crucial astrophysical tracer for understanding the formation and evolution of galaxies, determining the interaction between interstellar medium properties and star formation, thereby inferring the evolutionary laws of cosmic star formation history and cosmic energy density. The mainstream approach to studying the stellar property in galaxies relies on pure stellar population synthesis models. However, these methods fail to account for the contamination of SFR caused by nebular gas radiation. Recent studies have indicated that neglecting nebular radiation contamination appears non-negligible in galaxies with intense star-forming activities and at relatively high redshifts, potentially leading to overestimating stellar masses. However, there is currently limited targeted research, particularly regarding galaxies at redshifts (z < 0.4). In this work, 6,511 star-formation galaxies are selected from the SDSS-DR18, and FADO fits their spectra. This tool can exclude nebular radiation contributions in the spectral fitting. A tentative work is carried out to explore the SFR of these galaxies. The results indicate that the median \( H_{\alpha} \) flux obtained from FADO fitting differs from that obtained using the pure stellar population synthesis model {\it qsofitmore} by approximately 0.034 dex. Preliminary evidence suggests that the average nebula ratio increases with redshift. Additionally, we investigated the impact of stellar mass on the nebula ratio at low to moderate redshifts. By comparing two spectral fitting software packages, we found that although the contribution of nebular emission is minimal, it generally shows an increasing trend with redshift. We anticipate that by combining optical and near-infrared spectral data, the influence of nebulae may become more prominent in star-forming galaxies at higher redshifts (e.g., up to z sim 2).

  • 5 authors
·
Apr 11, 2024

Imaging and controlling electron motion and chemical structural dynamics of biological system in real time and space

Ultrafast electron microscopy (UEM) has found widespread applications in physics, chemistry, and materials science, enabling real-space imaging of dynamics on ultrafast timescales. Recent advances have pushed the temporal resolution of UEM into the attosecond regime, enabling the attomicroscopy technique to directly visualize electron motion. In this work, we extend the capabilities of this powerful imaging tool to investigate ultrafast electron dynamics in a biological system by imaging and controlling light induced electronic and chemical changes in the conductive network of multicellular cable bacteria. Using electron energy loss spectroscopy (EELS), we first observed a laser induced increase in {\pi}-electron density, accompanied by spectral peak broadening and a blueshift features indicative of enhanced conductivity and structural modification. We also traced the effect of ultrafast laser pumping on bulk plasmon electron oscillations by monitoring changes in the plasmon like resonance peak. Additionally, we visualized laser induced chemical structural changes in cable bacteria in real space. The imaging results revealed carbon enrichment alongside a depletion of nitrogen and oxygen, highlighting the controllability of chemical dynamics. Moreover, time resolved EELS measurements further revealed a picosecond scale decay and recovery of both {\pi}-electron and plasmonic features, attributed to electron phonon coupling. In addition to shedding light on the mechanism of electron motion in cable bacteria, these findings demonstrate ultrafast modulation and switching of conductivity, underscoring their potential as bio-optoelectronic components operating on ultrafast timescales.

  • 7 authors
·
Oct 2, 2025

NeutralUniverseMachine: How Filaments and Dark Matter Halo Influence the Galaxy Cold Gas Content

Aims. We aim to investigate the influence of the distance to filaments and dark-matter haloes on galaxy cold-gas content in the empirical model NeutralUniverseMachine (NUM) and the hydrodynamical simulation IllustrisTNG. Methods. We used DisPerSE to identify cosmic web structures and calculate the distance of galaxies to filaments for both observations and models. We show the results of the HI and H2 mass functions, HI- and H2-halo-mass relations, HI- and H2-stellar-mass relations for galaxies in the NUM model and IllustrisTNG with different distances to filaments and compare them with observational measurements. We also show the evolution of HI and H2 mass densities at different distances to filament bins. Results. We find that how filaments affect the HI gas is generally less significant compared to the halo environment. There is a weak trend in the observations at z=0 that low-mass haloes lying closer to the filaments tend to have reduced HI masses. However, this trend reverses for massive haloes with log(Mvir/Msun) > 12.5. This behaviour is accurately reproduced in the NUM model due to the dependence of HI gas on the halo formation time, but it does not appear in IllustrisTNG. The influence of filaments on the HI gas becomes slightly weaker at higher redshifts and is only significant for galaxies that reside in massive haloes in the NUM model. Filaments have almost no impact on the H2-stellar-mass relation in both models, confirming that H2 is primarily determined by the galaxy stellar mass and star formation rate.

  • 3 authors
·
Sep 13, 2024

A catalog of ringed galaxies in the TNG50 simulation: Analysis of their properties and structure

The catalog of ringed galaxies was compiled through visual classification of synthetic images from the TNG50 simulation. Galaxies were selected based on specific criteria: a redshift range of 0.01 < z < 0.1, stellar mass M_star >10^9 M_odot, stellar half-mass radius r_{50} > 1 kpc, and specific star formation rate (sSFR), log(sSFR/yr^{-1}) > -13. Our classification allowed for differentiation between inner rings, outer rings, combinations of rings, and partial rings (pseudo-rings), including barred and non-barred ringed galaxies. We constructed a control sample of non-ringed galaxies with similar redshift, stellar mass, and environmental density distributions. We identified 807 ringed galaxies. Approximately 59% possess an inner ring, 22% a partial ring, 12% an outer ring, and 7% have i+o rings. Our statistical analysis reveals that 64% (507 galaxies) exhibit bars. Ringed galaxies exhibit lower efficiency for star formation, reduced gas fractions, redder colors, and higher metallicities compared to non-ringed disk objects. They also show greater variability in metallicity for a given stellar mass. From the analysis of radial profiles, galaxies with outer rings exhibit a r_{50} similar to or slightly larger than their control group, while those with inner or partial rings tend to have smaller sizes. A deeper exploration of radial density profiles revealed a pronounced central mass deficit preceding the ring structures, with inner and outer rings located at r_{50} and 1.5 , r_{50}, respectively. Galaxies with both i+o rings have inner rings that are more compact and massive. Additionally, galaxies with partial rings exhibit deeper mass profiles than their controls, particularly in central areas. These findings improve our understanding of galactic evolution and the complex interplay between mass distribution and morphology.

  • 4 authors
·
Nov 23, 2024

SR-CACO-2: A Dataset for Confocal Fluorescence Microscopy Image Super-Resolution

Confocal fluorescence microscopy is one of the most accessible and widely used imaging techniques for the study of biological processes. Scanning confocal microscopy allows the capture of high-quality images from 3D samples, yet suffers from well-known limitations such as photobleaching and phototoxicity of specimens caused by intense light exposure, which limits its use in some applications, especially for living cells. Cellular damage can be alleviated by changing imaging parameters to reduce light exposure, often at the expense of image quality. Machine/deep learning methods for single-image super-resolution (SISR) can be applied to restore image quality by upscaling lower-resolution (LR) images to produce high-resolution images (HR). These SISR methods have been successfully applied to photo-realistic images due partly to the abundance of publicly available data. In contrast, the lack of publicly available data partly limits their application and success in scanning confocal microscopy. In this paper, we introduce a large scanning confocal microscopy dataset named SR-CACO-2 that is comprised of low- and high-resolution image pairs marked for three different fluorescent markers. It allows the evaluation of performance of SISR methods on three different upscaling levels (X2, X4, X8). SR-CACO-2 contains the human epithelial cell line Caco-2 (ATCC HTB-37), and it is composed of 22 tiles that have been translated in the form of 9,937 image patches for experiments with SISR methods. Given the new SR-CACO-2 dataset, we also provide benchmarking results for 15 state-of-the-art methods that are representative of the main SISR families. Results show that these methods have limited success in producing high-resolution textures, indicating that SR-CACO-2 represents a challenging problem. Our dataset, code and pretrained weights are available: https://github.com/sbelharbi/sr-caco-2.

  • 6 authors
·
Jun 13, 2024

Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems

Despite the variety of available computational approaches, state-of-the-art methods for calculating excitation energies such as time-dependent density functional theory (TDDFT), are computationally demanding and thus limited to moderate system sizes. Here, we introduce a new variation of constrained DFT (CDFT), wherein the constraint corresponds to a particular transition (T), or combination of transitions, between occupied and virtual orbitals, rather than a region of the simulation space as in traditional CDFT. We compare T-CDFT with TDDFT and DeltaSCF results for the low lying excited states (S_{1} and T_{1}) of a set of gas phase acene molecules and OLED emitters, as well as with reference results from the literature. At the PBE level of theory, T-CDFT outperforms DeltaSCF for both classes of molecules, while also proving to be more robust. For the local excitations seen in the acenes, T-CDFT and TDDFT perform equally well. For the charge-transfer (CT)-like excitations seen in the OLED molecules, T-CDFT also performs well, in contrast to the severe energy underestimation seen with TDDFT. In other words, T-CDFT is equally applicable to both local excitations and CT states, providing more reliable excitation energies at a much lower computational cost than TDDFT. T-CDFT is designed for large systems and has been implemented in the linear scaling BigDFT code. It is therefore ideally suited for exploring the effects of explicit environments on excitation energies, paving the way for future simulations of excited states in complex realistic morphologies, such as those which occur in OLED materials.

  • 4 authors
·
Jun 2, 2021

Bars in low-density environments rotate faster than bars in dense regions

Does the environment of a galaxy directly influence the kinematics of its bar? We present observational evidence that bars in high-density environments exhibit significantly slower rotation rates than bars in low-density environments. Galactic bars are central, extended structures composed of stars, dust and gas, present in approximately 30 to 70 per cent of luminous spiral galaxies in the local Universe. Recent simulation studies have suggested that the environment can influence the bar rotation rate, R, which is used to classify bars as either fast (1leq R leq1.4) or slow (R gt 1.4). We use estimates of R obtained with the Tremaine-Weinberg method applied to Integral Field Unit spectroscopy from MaNGA and CALIFA. After cross-matching these with the projected neighbour density, logΣ, we retain 286 galaxies. The analysis reveals that bars in high-density environments are significantly slower (median R = 1.67^{+0.72}_{-0.42}) compared to bars in low-density environments (median R = 1.37^{+0.51}_{-0.34}); Anderson-Darling p-value of p_{AD}= 0.002 (3.1,σ). This study marks the first empirical test of the hypothesis that fast bars are formed by global instabilities in isolated galaxies, while slow bars are triggered by tidal interactions in dense environments, in agreement with predictions from numerous N-body simulations. Future studies would benefit from a larger sample of galaxies with reliable Integral Field Unit data, required to measure bar rotation rates. Specifically, more data are necessary to study the environmental influence on bar formation within dense settings (i.e. groups, clusters and filaments).

  • 4 authors
·
Nov 3, 2025

Statistical selection of high-redshift, neutral-hydrogen-rich, lensed galaxies with the Square Kilometre Array

Deep wide spectral line surveys with the Square Kilometre Array (SKA) will expand the cosmic frontiers of neutral atomic hydrogen (HI) in galaxies. However, at cosmologically significant redshifts (z gtrsim 0.5), detections will typically be spatially unresolved and limited to the highest mass systems. Gravitational lensing could potentially alleviate these limitations, enabling lower mass systems to be studied at higher redshift and spatially resolved dynamical studies of some HI discs. Additionally, lensed HI systems would select foreground dark matter haloes using a different, more extended baryonic tracer compared to other lens surveys. This may result in a wider selected range of foreground dark matter halo properties, such as the concentration parameter. This paper uses the distortion of the observed HI mass function (HIMF) produced by strong gravitational lensing to find a flux density criterion for selecting lensed HI sources in future SKA-Mid spectral line surveys. This selection approach could yield lensed HI source densities in the range of sim 0.1--10 galaxies per square degree out to a redshift of z simeq 3 covered by SKA-MID Band 1. Although the sample sizes are modest, even with the proposed SKA-Mid surveys, the selection approach is straightforward and should have a 50% efficiency without any additional information, such as low-impact-factor or lower-redshift massive galaxies. The efficiency of selecting high-redshift, neutral-hydrogen-rich, lensed galaxies should then be greatly enhanced by using SKA-MID data in concert with the Vera C. Rubin Large Survey of Space and Time.

  • 2 authors
·
Feb 11, 2025

QuantumChem-200K: A Large-Scale Open Organic Molecular Dataset for Quantum-Chemistry Property Screening and Language Model Benchmarking

The discovery of next-generation photoinitiators for two-photon polymerization (TPP) is hindered by the absence of large, open datasets containing the quantum-chemical and photophysical properties required to model photodissociation and excited-state behavior. Existing molecular datasets typically provide only basic physicochemical descriptors and therefore cannot support data-driven screening or AI-assisted design of photoinitiators. To address this gap, we introduce QuantumChem-200K, a large-scale dataset of over 200,000 organic molecules annotated with eleven quantum-chemical properties, including two-photon absorption (TPA) cross sections, TPA spectral ranges, singlet-triplet intersystem crossing (ISC) energies, toxicity and synthetic accessibility scores, hydrophilicity, solubility, boiling point, molecular weight, and aromaticity. These values are computed using a hybrid workflow that integrates density function theory (DFT), semi-empirical excited-state methods, atomistic quantum solvers, and neural-network predictors. Using QuantumChem-200K, we fine tune the open-source Qwen2.5-32B large language model to create a chemistry AI assistant capable of forward property prediction from SMILES. Benchmarking on 3000 unseen molecules from VQM24 and ZINC20 demonstrates that domain-specific fine-tuning significantly improves accuracy over GPT-4o, Llama-3.1-70B, and the base Qwen2.5-32B model, particularly for TPA and ISC predictions central to photoinitiator design. QuantumChem-200K and the corresponding AI assistant together provide the first scalable platform for high-throughput, LLM-driven photoinitiator screening and accelerated discovery of photosensitive materials.

  • 2 authors
·
Nov 22, 2025

First Light And Reionisation Epoch Simulations (FLARES) XVI: Size Evolution of Massive Dusty Galaxies at Cosmic Dawn from UV to IR

We use the First Light And Reionisation Epoch Simulations (FLARES) to study the evolution of the rest-frame ultraviolet (UV) and far-infrared (FIR) sizes for a statistical sample of massive (gtrsim10^{9}M_{odot}) high redshift galaxies (z in [5,10]). Galaxies are post-processed using the SKIRT radiative transfer code, to self-consistently obtain the full spectral energy distribution and surface brightness distribution. We create mock observations of the galaxies for the Near Infrared Camera (NIRCam) to study the rest-frame UV 1500 xC5 morphology. We also generate mock rest-frame FIR (50 mum) photometry and mock ALMA (158 mum) (0.01"-0.03" and approx0.3" angular resolution) observations to study the dust-continuum. We find the effect of dust on observed sizes reduces with increasing wavelength from the UV to optical (sim0.6 times the UV at 0.4mum), with no evolution in FIR sizes. Observed sizes vary within 0.4-1.2 times the intrinsic sizes at different signal to noise ratios (SNR = 5-20) across redshifts. The effect of PSF and noise makes bright structures prominent, whereas fainter regions blend with noise, leading to an underestimation (factor of 0.4-0.8) of sizes at SNR=5. At SNR=15-20, the underestimation reduces (factor of 0.6-0.9) at z=5-8 but due to PSF, at z=9-10, bright cores are dominant, resulting in an overestimation (factor of 1.0-1.2). For ALMA, low resolution sizes are effected by noise which acts as extended emission. The size evolution in UV broadly agrees with current observational samples and other simulations. This work is one of the first to analyse the panchromatic sizes of a statistically significant sample of simulated high-redshift galaxies, complementing a growing body of research highlighting the importance of conducting an equivalent comparison between observed galaxies and their simulated counterparts in the early Universe.

  • 12 authors
·
Aug 20, 2024

First detections of CO absorption in the Magellanic Clouds and direct measurement of the CO-to-H_2 ratio

Molecular hydrogen (H_2) is by far the most abundant molecule in the Universe. However, due to the low emissivity of H_2, carbon monoxide (CO) is widely used instead to trace molecular gas in galaxies. The relative abundances of these molecules is expected to depend on both physical (e.g., density) and chemical (e.g., metal enrichment) properties of the gas, making direct measurements in diverse environments crucial. We present a systematic search for CO in absorption toward 34 stars behind H_2 gas in the Magellanic Clouds using the Hubble Space Telescope. We report the first two definitive detections of CO absorption in the Large Magellanic Cloud (LMC) and one in the Small Magellanic Cloud (SMC), along with stringent upper limits for the remaining sightlines. Non-detections of CO are consistent with models of low thermal pressures and/or low metallicities while detections at the lower metallicities of the Magellanic Clouds require higher thermal pressures, P_{rm th}=10^5-10^6,K,cm^{-3} than detections the Milky Way at similar N({rm H_2}). Notably, the high density derived from the rotational excitation of CO towards SK,143 in the SMC suggests full molecularization of CO in the absorbing cloud, with CO/H_2 = 8.3^{+2.0}_{-1.6}times10^{-5} consistent with the standard ratio (3.2times10^{-4}) measured in dense molecular gas in the Milky Way, scaled to the SMC's 0.2,Z_{odot} metallicity.

  • 3 authors
·
Mar 16, 2025

ALMA observations of massive clouds in the central molecular zone: slim filaments tracing parsec-scale shocks

The central molecular zone (CMZ) of our Galaxy exhibits widespread emission from SiO and various complex organic molecules (COMs), yet the exact origin of such emission is uncertain. Here we report the discovery of a unique class of long (>0.5 pc) and narrow (<0.03 pc) filaments in the emission of SiO 5-4 and eight additional molecular lines, including several COMs, in our ALMA 1.3 mm spectral line observations toward two massive molecular clouds in the CMZ, which we name as slim filaments. However, these filaments are not detected in the 1.3 mm continuum at the 5sigma level. Their line-of-sight velocities are coherent and inconsistent with being outflows. The column densities and relative abundances of the detected molecules are statistically similar to those in protostellar outflows but different from those in dense cores within the same clouds. Turbulent pressure in these filaments dominates over self gravity and leads to hydrostatic inequilibrium, indicating that they are a different class of objects than the dense gas filaments in dynamical equilibrium ubiquitously found in nearby molecular clouds. We argue that these newly detected slim filaments are associated with parsec-scale shocks, likely arising from dynamic interactions between shock waves and molecular clouds. The dissipation of the slim filaments may replenish SiO and COMs in the interstellar medium and lead to their widespread emission in the CMZ.

  • 25 authors
·
Feb 6, 2025