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Electronic health records (EHR) are widely believed to hold a profusion of actionable insights, encrypted in an irregular, semi-structured format, amidst a loud noise background. To simplify learning patterns of health and disease, medical codes in EHR can be decomposed into semantic units connected by hierarchical graphs. Building on earlier synergy between Bidirectional Encoder Representations from Transformers (BERT) and Graph Attention Networks (GAT), we present H-BERT, which ingests complete graph tree expansions of hierarchical medical codes as opposed to only ingesting the leaves and pushes patient-level labels down to each visit. This methodology significantly improves prediction of patient membership in over 500 medical diagnosis classes as measured by aggregated AUC and APS, and creates distinct representations of patients in closely related but clinically distinct phenotypes., Comment: Extended Abstract presented at Machine Learning for Health (ML4H) symposium 2022, November 28th, 2022, New Orleans, United States & Virtual, http://www.ml4h.cc, 9 pages

Understanding patterns of diagnoses, medications, procedures, and laboratory tests from electronic health records (EHRs) and health insurer claims is important for understanding disease risk and for efficient clinical development, which often require rules-based curation in collaboration with clinicians. We extended an unsupervised phenotyping algorithm, mixEHR, to an online version allowing us to use it on order of magnitude larger datasets including a large, US-based claims dataset and a rich regional EHR dataset. In addition to recapitulating previously observed disease groups, we discovered clinically meaningful disease subtypes and comorbidities. This work scaled up an effective unsupervised learning method, reinforced existing clinical knowledge, and is a promising approach for efficient collaboration with clinicians., Comment: Extended Abstract presented at Machine Learning for Health (ML4H) symposium 2022, November 28th, 2022, New Orleans, United States & Virtual, http://www.ml4h.cc, 6 pages

The sulfur abundance is poorly known in most environments. Yet, deriving the sulfur abundance is key to understanding the evolution of the chemistry from molecular clouds to planetary atmospheres. We present observations of H$_2$S 110-101 at 168.763 GHz toward the Herbig Ae star AB Aur. We aim to study the abundance of sulfuretted species toward AB Aur and to constrain how different species and phases contribute to the sulfur budget. We present new NOrthern Extended Millimeter Array (NOEMA) interferometric observations of the continuum and H$_2$S 110-101 line at 168.763 GHz toward AB Aur. We derived radial and azimuthal profiles and used them to compare the geometrical distribution of different species in the disk. Assuming local thermodynamical equilibrium (LTE), we derived column density and abundance maps for H$_2$S, and we further used Nautilus to produce a more detailed model of the chemical abundances at different heights over the mid-plane at a distance of r=200 au. We have resolved H$_2$S emission in the AB Aur protoplanetary disk. The emission comes from a ring extending from 0.67 (109 au) to 1.69 (275 au). Under simple assumptions, we derived an abundance of (3.1$\pm$0.8)$\times$10$\rm ^{-10}$ with respect to H nuclei, which we compare with Nautilus models to deepen our understanding of the sulfur chemistry in protoplanetary disks. Chemical models indicate that H$-2$S is an important sulfur carrier in the solid and gas phase. We also find an important transition at a height of 12 au, where the sulfur budget moves from being dominated by ice species to being dominated by gas species. Studying sulfuretted species in detail in the different phases of the interstellar medium is key to solving the issue., Comment: 11 pages, 14 figures, 4 tables

We report the discovery of a circumplanetary disk (CPD) candidate embedded in the circumstellar disk of the T Tauri star AS 209 at a radial distance of about 200 au (on-sky separation of 1."4 from the star at a position angle of $161^\circ$), isolated via $^{13}$CO $J=2-1$ emission. This is the first instance of CPD detection via gaseous emission capable of tracing the overall CPD mass. The CPD is spatially unresolved with a $117\times82$ mas beam and manifests as a point source in $^{13}$CO, indicating that its diameter is $\lesssim14$ au. The CPD is embedded within an annular gap in the circumstellar disk previously identified using $^{12}$CO and near-infrared scattered light observations, and is associated with localized velocity perturbations in $^{12}$CO. The coincidence of these features suggests that they have a common origin: an embedded giant planet. We use the $^{13}$CO intensity to constrain the CPD gas temperature and mass. We find that the CPD temperature is $\gtrsim35$ K, higher than the circumstellar disk temperature at the radial location of the CPD, 22 K, suggesting that heating sources localized to the CPD must be present. The CPD gas mass is $\gtrsim 0.095 M_{\rm Jup} \simeq 30 M_{\rm Earth}$ adopting a standard $^{13}$CO abundance. From the non-detection of millimeter continuum emission at the location of the CPD ($3\sigma$ flux density $\lesssim26.4~\mu$Jy), we infer that the CPD dust mass is $\lesssim 0.027 M_{\rm Earth} \simeq 2.2$ lunar masses, indicating a low dust-to-gas mass ratio of $\lesssim9\times10^{-4}$. We discuss the formation mechanism of the CPD-hosting giant planet on a wide orbit in the framework of gravitational instability and pebble accretion., Comment: Accepted for publication in the ApJ Letters (July 7, 2022), 19 pages, 13 figures, interactive figures (Figure 7, 8, 9) are available at http://jaehanbae.com/as209/

Computing lower and upper bounds on the competitive ratio of online algorithms is a challenging question: For a minimization combinatorial problem, proving a competitive ratio for a given algorithm leads to an upper bound. However computing lower bounds requires a proof on all algorithms. This can be modeled as a 2-player game where a strategy for one of the players is a proof for the lower bound. The tree representing the proof can can be found computationally. This method has been used with success on the online bin stretching problem where a set of items must be packed online in $m$ bins. The items are guaranteed to fit into the $m$ bins. However, the online procedure might require to stretch the bins to a larger capacity in order to be able to pack all the items. This stretching factor is the objective to be minimized. We propose original ideas to strongly improve the speed of computer searches for lower bound: propagate the game states that can be pruned from the search and improve the speed and memory usage in the dynamic program which is used in the search. These improvements allowed to increase significantly the speed of the search and hence to prove new lower bounds for the bin stretching problem for 6, 7 and 8 bins.

Nearby Photo-Dissociation Regions (PDRs), where the gas and dust are heated by the far UV-irradiation emitted from stars, are ideal templates to study the main stellar feedback processes. With this study we aim to probe the detailed structures at the interfaces between ionized, atomic, and molecular gas in the Orion Bar. This nearby prototypical strongly irradiated PDR will be among the first targets of the James Webb Space Telescope (JWST) within the framework of the PDRs4All Early Release Science program. We employed the sub-arcsec resolution accessible with Keck-II NIRC2 and its adaptive optics system to obtain the most detailed and complete images, ever performed, of the vibrationally excited line H$_2$ 1-0 S(1) at 2.12~$\mu$m, tracing the dissociation front, and the [FeII] and Br$\gamma$ lines, at 1.64 and 2.16~$\mu$m respectively, tracing the ionization front. We obtained narrow-band filter images in these key gas line diagnostic over $\sim 40''$ at spatial scales of $\sim$0.1$''$ ($\sim$0.0002~pc or $\sim$40~AU at 414~pc). The Keck/NIRC2 observations spatially resolve a plethora of irradiated sub-structures such as ridges, filaments, globules and proplyds. A remarkable spatial coincidence between the H$_2$ 1-0 S(1) vibrational and HCO$^+$ J=4-3 rotational emission previously obtained with ALMA is observed. This likely indicates the intimate link between these two molecular species and highlights that in high pressure PDR the H/H$_2$ and C$^+$/C/CO transitions zones come closer as compared to a typical layered structure of a constant density PDR. This is in agreement with several previous studies that claimed that the Orion Bar edge is composed of very small, dense, highly irradiated PDRs at high thermal pressure immersed in a more diffuse environment.

We report a study of the low-mass Class-0 multiple system VLA 1623AB in the Ophiuchus star-forming region, using H$^{13}$CO$^+$ ($J=3-2$), CS ($J=5-4$), and CCH ($N=3-2$) lines as part of the ALMA Large Program FAUST. The analysis of the velocity fields revealed the rotation motion in the envelope and the velocity gradients in the outflows (about 2000 au down to 50 au). We further investigated the rotation of the circum-binary VLA 1623A disk as well as the VLA 1623B disk. We found that the minor axis of the circum-binary disk of VLA 1623A is misaligned by about 12 degrees with respect to the large-scale outflow and the rotation axis of the envelope. In contrast, the minor axis of the circum-binary disk is parallel to the large-scale magnetic field according to previous dust polarization observations, suggesting that the misalignment may be caused by the different directions of the envelope rotation and the magnetic field. If the velocity gradient of the outflow is caused by rotation, the outflow has a constant angular momentum and the launching radius is estimated to be $5-16$ au, although it cannot be ruled out that the velocity gradient is driven by entrainments of the two high-velocity outflows. Furthermore, we detected for the first time a velocity gradient associated with rotation toward the VLA 16293B disk. The velocity gradient is opposite to the one from the large-scale envelope, outflow, and circum-binary disk. The origin of its opposite gradient is also discussed., Comment: 27 pages, 21 figures, 2 Tables, Accepted for publication in ApJ

Massive stars disrupt their natal molecular cloud material through radiative and mechanical feedback processes. These processes have profound effects on the evolution of interstellar matter in our Galaxy and throughout the Universe, from the era of vigorous star formation at redshifts of 1-3 to the present day. The dominant feedback processes can be probed by observations of the Photo-Dissociation Regions (PDRs) where the far-ultraviolet photons of massive stars create warm regions of gas and dust in the neutral atomic and molecular gas. PDR emission provides a unique tool to study in detail the physical and chemical processes that are relevant for most of the mass in inter- and circumstellar media including diffuse clouds, proto-planetary disks and molecular cloud surfaces, globules, planetary nebulae, and star-forming regions. PDR emission dominates the infrared (IR) spectra of star-forming galaxies. Most of the Galactic and extragalactic observations obtained with the James Webb Space Telescope (JWST) will therefore arise in PDR emission. In this paper we present an Early Release Science program using the MIRI, NIRSpec, and NIRCam instruments dedicated to the observations of an emblematic and nearby PDR: the Orion Bar. These early JWST observations will provide template datasets designed to identify key PDR characteristics in JWST observations. These data will serve to benchmark PDR models and extend them into the JWST era. We also present the Science-Enabling products that we will provide to the community. These template datasets and Science-Enabling products will guide the preparation of future proposals on star-forming regions in our Galaxy and beyond and will facilitate data analysis and interpretation of forthcoming JWST observations., Comment: Submitted to PASP

Scope: To study the effect of variation in dietary vitamin A (VA) content on its hepatic and intestinal metabolism. Methods and results: Adult female and male rats were fed with diets containing 400, 2300, or 9858 IU/kg VA for 31-33 weeks. VA concentrations were measured in plasma and liver. Bioavailability and intestinal conversion efficiency of $\beta$-carotene to VA were assessed by measuring postprandial plasma $\beta$-carotene and retinyl palmitate concentrations after force-feeding rats with $\beta$-carotene. Expression of genes involved in VA metabolism, together with concentrations of RBP4, BCO1 and SR-BI proteins, were measured in the intestine and liver of female rats. Plasma retinol concentrations were lower and hepatic free retinol concentrations were higher in females than in males. There was no effect of dietary VA content on $\beta$-carotene bioavailability and its conversion efficiency, but bioavailability was higher and conversion efficiency was lower in females than in males. The expression of most genes exhibited a U-shaped dose response curve depending on VA intake. Main conclusions: $\beta$-Carotene bioavailability and conversion efficiency to VA are affected by the sex of rats. Results of gene expression suggest a hormetic regulation of VA metabolism in female rats.

We report the first detection of the molecule cyanomethyl, CH$_2$CN, in a protoplanetary disk. Until now, CH$_2$CN had only been observed at earlier evolutionary stages, in the giant molecular clouds TMC-1 and Sgr 2, and the prestellar core L1544. We detect six transitions of ortho-CH$_2$CN towards the disk around nearby T Tauri star TW Hya. An excitation analysis reveals that the disk-averaged column density, $N$, for ortho-CH$_2$CN is $(6.3\pm 0.5)\times10^{12}$ cm$^{-2}$, which is rescaled to reflect a 3:1 ortho-para ratio, resulting in a total column density, $N_{\rm tot}$, of $(8.4\pm 0.7)\times10^{12}$ cm$^{-2}$. We calculate a disk-average rotational temperature, $T_{\rm{rot}}$ = $40 \pm 5$ K, while a radially resolved analysis shows that $T_{\rm{rot}}$ remains relatively constant across the radius of the disk. This high rotation temperature suggests that in a static disk and if vertical mixing can be neglected,CH$_2$CN is largely formed through gas-phase reactions in the upper layers of the disk, rather than solid-state reactions on the surface of grains in the disk midplane. The integrated intensity radial profiles show a ring structure consistent with molecules such as CN and DCN. We note that this is also consistent with previous lower-resolution observations of centrally peaked CH$_3$CN emission towards the TW Hya disks, since the observed emission gap disappears when convolving our observations with a larger beam size. We obtain a CH$_2$CN/CH$_3$CN ratio ranging between 4 and 10. This high CH$_2$CN/CH$_3$CN is reproduced in a representative chemical model of the TW Hya disk that employs standard static disk chemistry model assumptions, i.e. without any additional tuning., Comment: 11 pages, 5 figures

UV photochemistry in the surface layers of protoplanetary disks dramatically alters their composition relative to previous stages of star formation. The abundance ratio CN/HCN has long been proposed to trace the UV field in various astrophysical objects, however to date the relationship between CN, HCN, and the UV field in disks remains ambiguous. As part of the ALMA Large Program MAPS (Molecules with ALMA at Planet-forming Scales), we present observations of CN N=1-0 transitions at 0.3'' resolution towards five disk systems. All disks show bright CN emission within $\sim$50-150 au, along with a diffuse emission shelf extending up to 600 au. In all sources we find that the CN/HCN column density ratio increases with disk radius from about unity to 100, likely tracing increased UV penetration that enhances selective HCN photodissociation in the outer disk. Additionally, multiple millimeter dust gaps and rings coincide with peaks and troughs, respectively, in the CN/HCN ratio, implying that some millimeter substructures are accompanied by changes to the UV penetration in more elevated disk layers. That the CN/HCN ratio is generally high (>1) points to a robust photochemistry shaping disk chemical compositions, and also means that CN is the dominant carrier of the prebiotically interesting nitrile group at most disk radii. We also find that the local column densities of CN and HCN are positively correlated despite emitting from vertically stratified disk regions, indicating that different disk layers are chemically linked. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement.

During the main phase of evolution of a protoplanetary disk, accretion regulates the inner-disk properties, such as the temperature and mass distribution, and in turn, the physical conditions associated with planet formation. The driving mechanism behind accretion remains uncertain; however, one promising mechanism is the removal of a fraction of angular momentum via a magnetohydrodynamic (MHD) disk wind launched from the inner tens of astronomical units of the disk. This paper utilizes CO isotopologue emission to study the unique molecular outflow originating from the HD 163296 protoplanetary disk obtained with the Atacama Large Millimeter/submillimeter Array. HD~163296 is one of the most well-studied Class II disks and is proposed to host multiple gas-giant planets. We robustly detect the large-scale rotating outflow in the 12CO J=2-1 and the 13CO J=2-1 and J=1-0 transitions. We constrain the kinematics, the excitation temperature of the molecular gas, and the mass-loss rate. The high ratio of the rates of ejection to accretion (5 - 50), together with the rotation signatures of the flow, provides solid evidence for an MHD disk wind. We find that the angular momentum removal by the wind is sufficient to drive accretion through the inner region of the disk; therefore, accretion driven by turbulent viscosity is not required to explain HD~163296's accretion. The low temperature of the molecular wind and its overall kinematics suggest that the MHD disk wind could be perturbed and shocked by the previously observed high-velocity atomic jet. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: Accepted ApJ July 30th 2021 This paper is part of the MAPS special issue of the Astrophysical Journal Supplement

Deuterium fractionation is dependent on various physical and chemical parameters. Thus, the formation location and thermal history of material in the solar system is often studied by measuring its D/H ratio. This requires knowledge about the deuteration processes operating during the planet formation era. We aim to study these processes by radially resolving the DCN/HCN (at 0.3" resolution) and N$_2$D$^+$/N$_2$H$^+$ (0.3 to 0.9") column density ratios toward the five protoplanetary disks observed by the Molecules with ALMA at Planet-forming scales (MAPS) Large Program. DCN is detected in all five sources, with one newly reported detection. N$_2$D$^+$ is detected in four sources, two of which are newly reported detections. We derive column density profiles that allow us to study the spatial variation of the DCN/HCN and N$_2$D$^+$/N$_2$H$^+$ ratios at high resolution. DCN/HCN varies considerably for different parts of the disks, ranging from $10^{-3}$ to $10^{-1}$. In particular, the inner disk regions generally show significantly lower HCN deuteration compared with the outer disk. In addition, our analysis confirms that two deuterium fractionation channels are active, which can alter the D/H ratio within the pool of organic molecules. N$_2$D$^+$ is found in the cold outer regions beyond $\sim$50 au, with N$_2$D$^+$/N$_2$H$^+$ ranging between $10^{-2}$ and 1 across the disk sample. This is consistent with the theoretical expectation that N$_2$H$^+$ deuteration proceeds via the low-temperature channel only. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: Accepted for publication in the Astrophysical Journal Supplement. 55 pages, 30 figures. Replacement of earlier version with updated references

Constraining dust properties of planet-forming disks via high angular resolution observations is fundamental to understanding how solids are trapped in substructures and how dust growth may be favored or accelerated therein. We use ALMA dust continuum observations of the Molecules with ALMA at Planet-forming Scales (MAPS) disks and explore a large parameter space to constrain the radial distribution of solid mass and maximum grain size in each disk, including or excluding dust scattering. In the nonscattering model, the dust surface density and maximum grain size profiles decrease from the inner disks to the outer disks, with local maxima at the bright ring locations, as expected from dust trapping models. The inferred maximum grain sizes from the inner to outer disks decrease from ~1 cm to 1 mm. For IM Lup, HD 163296, and MWC 480 in the scattering model, two solutions are compatible with their observed inner disk emission: one solution corresponding to a maximum grain size of a few millimeters (similar to the nonscattering model), and the other corresponding to a few hundred micrometer sizes. Based on the estimated Toomre parameter, only IM Lup -- which shows a prominent spiral morphology in millimeter dust -- is found to be gravitationally unstable. The estimated maximum Stokes number in all the disks lies between 0.01 and 0.3, and the estimated turbulence parameters in the rings of AS 209 and HD 163296 are close to the threshold where dust growth is limited by turbulent fragmentation. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement.

We observed HCO$^+$ $J=1-0$ and H$^{13}$CO$^+$ $J=1-0$ emission towards the five protoplanetary disks around IM Lup, GM Aur, AS 209, HD 163296, and MWC 480 as part of the MAPS project. HCO$^+$ is detected and mapped at 0.3\arcsec\,resolution in all five disks, while H$^{13}$CO$^+$ is detected (SNR$>6 \sigma$) towards GM Aur and HD 163296 and tentatively detected (SNR$>3 \sigma$) towards the other disks by a matched filter analysis. Inside a radius of $R\sim 100$ au, the HCO$^+$ column density is flat or shows a central dip. At outer radii ($\gtrsim 100$ au), the HCO$^+$ column density decreases outwards, while the column density ratio of HCO$^+$/CO is mostly in the range of $\sim 10^{-5}-10^{-4}$. We derived the HCO$^+$ abundance in the warm CO-rich layer, where HCO$^+$ is expected to be the dominant molecular ion. At $R\gtrsim 100$ au, the HCO$^+$ abundance is $\sim 3 \times 10^{-11} - 3\times 10^{-10}$, which is consistent with a template disk model with X-ray ionization. At the smaller radii, the abundance decreases inwards, which indicates that the ionization degree is lower in denser gas, especially inside the CO snow line, where the CO-rich layer is in the midplane. Comparison of template disk models with the column densities of HCO$^+$, N$_2$H$^+$, and N$_2$D$^+$ indicates that the midplane ionization rate is $\gtrsim 10^{-18}$ s$^{-1}$ for the disks around IM Lup, AS 209, and HD 163296. We also find hints of an increased HCO$^+$ abundance around the location of dust continuum gaps in AS 209, HD 163296, and MWC 480. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: accepted to ApJS, 33 pages, 20 figures

Small organic molecules, such as C2H, HCN, and H2CO, are tracers of the C, N, and O budget in protoplanetary disks. We present high angular resolution (10-50 au) observations of C2H, HCN, and H2CO lines in five protoplanetary disks from the Molecules with ALMA at Planet-forming Scales (MAPS) ALMA Large Program. We derive column density and excitation temperature profiles for HCN and C2H, and find that the HCN emission arises in a temperate (20-30 K) layer in the disk, while C2H is present in relatively warmer (20-60 K) layers. In the case of HD 163296, we find a decrease in column density for HCN and C2H inside one of the dust gaps near 83 au, where a planet has been proposed to be located. We derive H2CO column density profiles assuming temperatures between 20 and 50 K, and find slightly higher column densities in the colder disks around T Tauri stars than around Herbig Ae stars. The H2CO column densities rise near the location of the CO snowline and/or millimeter dust edge, suggesting an efficient release of H2CO ices in the outer disk. Finally, we find that the inner 50 au of these disks are rich in organic species, with abundances relative to water that are similar to cometary values. Comets could therefore deliver water and key organics to future planets in these disks, similar to what might have happened here on Earth. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: 23 pages, 10 figures, 4 tables. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement

The precursors to larger, biologically-relevant molecules are detected throughout interstellar space, but determining the presence and properties of these molecules during planet formation requires observations of protoplanetary disks at high angular resolution and sensitivity. Here we present 0.3" observations of HC$_3$N, CH$_3$CN, and $c$-C$_3$H$_2$ in five protoplanetary disks observed as part of the Molecules with ALMA at Planet-forming Scales (MAPS) Large Program. We robustly detect all molecules in four of the disks (GM Aur, AS 209, HD 163296 and MWC 480) with tentative detections of $c$-C$_3$H$_2$ and CH$_3$CN in IM Lup. We observe a range of morphologies -- central peaks, single or double rings -- with no clear correlation in morphology between molecule nor disk. Emission is generally compact and on scales comparable with the millimetre dust continuum. We perform both disk-integrated and radially-resolved rotational diagram analysis to derive column densities and rotational temperatures. The latter reveals 5-10 times more column density in the inner 50-100 au of the disks when compared with the disk-integrated analysis. We demonstrate that CH$_3$CN originates from lower relative heights in the disks when compared with HC$_3$N, in some cases directly tracing the disk midplane. Finally, we find good agreement between the ratio of small to large nitriles in the outer disks and comets. Our results indicate that the protoplanetary disks studied here are host to significant reservoirs of large organic molecules, and that this planet- and comet-building material can be chemically similar to that in our own Solar System. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement Series., Comment: 24 pages, 11 figures, 5 tables. Accepted for publication in ApJSS. Updated to cross-reference other MAPS publications

Sulfur-bearing molecules play an important role in prebiotic chemistry and planet habitability. They are also proposed probes of chemical ages, elemental C/O ratio, and grain chemistry processing. Commonly detected in diverse astrophysical objects, including the Solar System, their distribution and chemistry remain, however, largely unknown in planet-forming disks. We present CS ($2-1$) observations at $\sim0."3$ resolution performed within the ALMA-MAPS Large Program toward the five disks around IM Lup, GM Aur, AS 209, HD 163296, and MWC 480. CS is detected in all five disks, displaying a variety of radial intensity profiles and spatial distributions across the sample, including intriguing apparent azimuthal asymmetries. Transitions of C$_2$S and SO were also serendipitously covered but only upper limits are found. For MWC 480, we present complementary ALMA observations at $\sim0."5$, of CS, $^{13}$CS, C$^{34}$S, H$_2$CS, OCS, and SO$_2$. We find a column density ratio N(H$_{2}$CS)/N(CS)$\sim2/3$, suggesting that a substantial part of the sulfur reservoir in disks is in organic form (i.e., C$_x$H$_y$S$_z$). Using astrochemical disk modeling tuned to MWC 480, we demonstrate that $N$(CS)/$N$(SO) is a promising probe for the elemental C/O ratio. The comparison with the observations provides a super-solar C/O. We also find a depleted gas-phase S/H ratio, suggesting either that part of the sulfur reservoir is locked in solid phase or that it remains in an unidentified gas-phase reservoir. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: Accepted for publication in The Astrophysical Journal Supplement (27 pages, 13 figures, 5 tables)

Planets form and obtain their compositions in dust and gas-rich disks around young stars, and the outcome of this process is intimately linked to the disk chemical properties. The distributions of molecules across disks regulate the elemental compositions of planets, including C/N/O/S ratios and metallicity (O/H and C/H), as well as access to water and prebiotically relevant organics. Emission from molecules also encodes information on disk ionization levels, temperature structures, kinematics, and gas surface densities, which are all key ingredients of disk evolution and planet formation models. The Molecules with ALMA at Planet-forming Scales (MAPS) ALMA Large Program was designed to expand our understanding of the chemistry of planet formation by exploring disk chemical structures down to 10 au scales. The MAPS program focuses on five disks - around IM Lup, GM Aur, AS 209, HD 163296, and MWC 480 - in which dust substructures are detected and planet formation appears to be ongoing. We observed these disks in 4 spectral setups, which together cover ~50 lines from over 20 different species. This paper introduces the ApJS MAPS Special Issue by presenting an overview of the program motivation, disk sample, observational details, and calibration strategy. We also highlight key results, including discoveries of links between dust, gas, and chemical sub-structures, large reservoirs of nitriles and other organics in the inner disk regions, and elevated C/O ratios across most disks. We discuss how this collection of results is reshaping our view of the chemistry of planet formation., Comment: Accepted for publication in the ApJS MAPS Special Issue. v2 has updated MAPS references and a correction to Fig. 3

Emission substructures in gas and dust are common in protoplanetary disks. Such substructures can be linked to planet formation or planets themselves. We explore the observed gas substructures in AS 209 using thermochemical modeling with RAC2D and high-spatial resolution data from the Molecules with ALMA at Planet-forming Scales(MAPS) program. The observations of C$^{18}$O J=2-1 emission exhibit a strong depression at 88 au overlapping with the positions of multiple gaps in millimeter dust continuum emission. We find that the observed CO column density is consistent with either gas surface-density perturbations or chemical processing, while C$_2$H column density traces changes in the C/O ratio rather than the H$_2$ gas surface density. However, the presence of a massive planet (> 0.2 M$_{Jup}$) would be required to account for this level of gas depression, which conflicts with constraints set by the dust emission and the pressure profile measured by gas kinematics. Based on our models, we infer that a local decrease of CO abundance is required to explain the observed structure in CO, dominating over a possible gap-carving planet present and its effect on the H$_2$ surface density. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement Series., Comment: 21 pages, 18 figures

Here we present high resolution (15-24 au) observations of CO isotopologue lines from the Molecules with ALMA on Planet-forming Scales (MAPS) ALMA Large Program. Our analysis employs $^{13}$CO and C$^{18}$O ($J$=2-1), (1-0), and C$^{17}$O (1-0) line observations of five protoplanetary disks. We retrieve CO gas density distributions, using three independent methods: (1) a thermo-chemical modeling framework based on the CO data, the broadband spectral energy distribution, and the mm-continuum emission; (2) an empirical temperature distribution based on optically thick CO lines; and (3) a direct fit to the C$^{17}$O hyperfine lines. Results from these methods generally show excellent agreement. The CO gas column density profiles of the five disks show significant variations in the absolute value and the radial shape. Assuming a gas-to-dust mass ratio of 100, all five disks have a global CO-to-H$_2$ abundance of 10-100 times lower than the ISM ratio. The CO gas distributions between 150-400 au match well with models of viscous disks, supporting the long-standing theory. CO gas gaps appear to be correlated with continuum gap locations, but some deep continuum gaps do not have corresponding CO gaps. The relative depths of CO and dust gaps are generally consistent with predictions of planet-disk interactions, but some CO gaps are 5-10 times shallower than predictions based on dust gaps. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: This paper is part of the MAPS special issue of the Astrophysical Journal Supplement. 36 pages, 21 figures, accepted for publication in ApJS

Gas mass remains one of the most difficult protoplanetary disk properties to constrain. With much of the protoplanetary disk too cold for the main gas constituent, H2, to emit, alternative tracers such as dust, CO, or the H2 isotopolog HD are used. However, relying on disk mass measurements from any single tracer requires assumptions about the tracer's abundance relative to \hh\ and the disk temperature structure. Using new Atacama Large Millimeter/submillimeter Array (ALMA) observations from the Molecules with ALMA at Planet-forming Scales (MAPS) ALMA Large Program as well as archival ALMA observations, we construct a disk physical/chemical model of the protoplanetary disk GM Aur. Our model is in good agreement with the spatially resolved CO isotopolog emission from eleven rotational transitions with spatial resolution ranging from 0.15'' to 0.46'' (24-73 au at 159 pc) and the spatially unresolved HD J=1-0 detection from Herschel. Our best-fit model favors a cold protoplanetary disk with a total gas mass of approximately 0.2 solar masses, a factor of 10 reduction in CO gas inside roughly 100 au and a factor of 100 reduction outside of 100 au. Despite its large mass, the disk appears to be on the whole gravitationally stable based on the derived Toomre Q parameter. However, the region between 70 and 100 au, corresponding to one of the millimeter dust rings, is close to being unstable based on the calculated Toomre Q of <1.7. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: 18 pages, 12 figures

The Molecules with ALMA at Planet-forming Scales (MAPS) Large Program provides a unique opportunity to study the vertical distribution of gas, chemistry, and temperature in the protoplanetary disks around IM Lup, GM Aur, AS 209, HD 163296, and MWC 480. By using the asymmetry of molecular line emission relative to the disk major axis, we infer the emission height ($z$) above the midplane as a function of radius ($r$). Using this method, we measure emitting surfaces for a suite of CO isotopologues, HCN, and C$_2$H. We find that $^{12}$CO emission traces the most elevated regions with $z/r > 0.3$, while emission from the less abundant $^{13}$CO and C$^{18}$O probes deeper into the disk at altitudes of $z/r \lesssim 0.2$. C$_2$H and HCN have lower opacities and SNRs, making surface fitting more difficult, and could only be reliably constrained in AS 209, HD 163296, and MWC 480, with $z/r \lesssim 0.1$, i.e., relatively close to the planet-forming midplanes. We determine peak brightness temperatures of the optically thick CO isotopologues and use these to trace 2D disk temperature structures. Several CO temperature profiles and emission surfaces show dips in temperature or vertical height, some of which are associated with gaps and rings in line and/or continuum emission. These substructures may be due to local changes in CO column density, gas surface density, or gas temperatures, and detailed thermo-chemical models are necessary to better constrain their origins and relate the chemical compositions of elevated disk layers with those of planet-forming material in disk midplanes. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: 31 pages, 20 figures, accepted for publication in ApJS, MAPS cross-references updated

The concentric gaps and rings commonly observed in protoplanetary disks in millimeter continuum emission have lent the impression that planet formation generally proceeds within orderly, isolated systems. While deep observations of spatially resolved molecular emission have been comparatively limited, they are increasingly suggesting that some disks interact with their surroundings while planet formation is underway. We present an analysis of complex features identified around GM Aur in $^{12}$CO $J=2-1$ images at a spatial resolution of $\sim40$ au. In addition to a Keplerian disk extending to a radius of $\sim550$ au, the CO emission traces flocculent spiral arms out to radii of $\sim$1200 au, a tail extending $\sim1800$ au southwest of GM Aur, and diffuse structures extending from the north side of the disk up to radii of $\sim1900$ au. The diffuse structures coincide with a "dust ribbon" previously identified in scattered light. The large-scale asymmetric gas features present a striking contrast with the mostly axisymmetric, multi-ringed millimeter continuum tracing the pebble disk. We hypothesize that GM Aur's complex gas structures result from late infall of remnant envelope or cloud material onto the disk. The morphological similarities to the SU Aur and AB Aur systems, which are also located in the L1517 cloud, provide additional support to a scenario in which interactions with the environment are playing a role in regulating the distribution and transport of material in all three of these Class II disk systems. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: 34 pages, 21 figures, in press at ApJS, cross-references updated

Constraining the distribution of gas and dust in the inner 20 au of protoplanetary disks is difficult. At the same time, this region is thought to be responsible for most planet formation, especially around the water ice line at 3-10 au. Under the assumption that the gas is in a Keplerian disk, we use the exquisite sensitivity of the Molecules with ALMA at Planet-forming Scales (MAPS) ALMA large program to construct radial surface brightness profiles with a ~3 au effective resolution for the CO isotopologue J=2-1 lines using the line velocity profile. IM Lup reveals a central depression in 13CO and C18O that is ascribed to a pileup of ~500 $M_\oplus$ of dust in the inner 20 au, leading to a gas-to-dust ratio of around <10. This pileup is consistent with efficient drift of grains ($\gtrsim$ 100 $M_\oplus$ Myr$^{-1}$) and a local gas-to-dust ratio that suggests that the streaming instability could be active. The CO isotopologue emission in the GM Aur disk is consistent with a small (~15 au), strongly depleted gas cavity within the ~40 au dust cavity. The radial surface brightness profiles for both the AS 209 and HD 163296 disks show a local minimum and maximum in the C18O emission at the location of a known dust ring (~14 au) and gap (~10 au), respectively. This indicates that the dust ring has a low gas-to-dust ratio ($>$ 10) and that the dust gap is gas-rich enough to have optically thick C18O., Comment: 22 pages, 14 figures, accepted by ApJS. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement. Update with correct references to other MAPS papers

The elemental composition of the gas and dust in a protoplanetary disk influences the compositions of the planets that form in it. We use the Molecules with ALMA at Planet-forming Scales (MAPS) data to constrain the elemental composition of the gas at the locations of potentially forming planets. The elemental abundances are inferred by comparing source-specific gas-grain thermochemical models, with variable C/O ratios and small-grain abundances, from the DALI code with CO and C2H column densities derived from the high-resolution observations of the disks of AS 209, HD 163296, and MWC 480. Elevated C/O ratios (~2.0), even within the CO ice line, are necessary to match the inferred C2H column densities, over most of the pebble disk. Combined with constraints on the CO abundances in these systems, this implies that both the O/H and C/H ratios in the gas are substellar by a factor of 4-10, with the O/H depleted by a factor of 20-50, resulting in the high C/O ratios. This necessitates that even within the CO ice line, most of the volatile carbon and oxygen is still trapped on grains in the midplane. Planets accreting gas in the gaps of the AS 209, HD 163296, and MWC 480 disks will thus acquire very little carbon and oxygen after reaching the pebble isolation mass. In the absence of atmosphere-enriching events, these planets would thus have a strongly substellar O/H and C/H and superstellar C/O atmospheric composition., Comment: 19 pages, 8 figures This paper is part of the MAPS special issue of the Astrophysical Journal Supplement. Updates references for other MAPS papers

We explore the dynamical structure of the protoplanetary disks surrounding HD 163296 and MWC 480 as part of the Molecules with ALMA at Planet Forming Scales (MAPS) large program. Using the $J = 2-1$ transitions of $^{12}$CO, $^{13}$CO and C$^{18}$O imaged at spatial resolutions of $\sim 0.^{\prime \prime}15$ and with a channel spacing of $200$ ${\rm m\,s^{-1}}$, we find perturbations from Keplerian rotation in the projected velocity fields of both disks ($\lesssim\!5\%$ of the local Keplerian velocity), suggestive of large-scale (10s of au in size), coherent flows. By accounting for the azimuthal dependence on the projection of the velocity field, the velocity fields were decomposed into azimuthally averaged orthogonal components, $v_{\phi}$, $v_r$ and $v_z$. Using the optically thick $^{12}$CO emission as a probe of the gas temperature, local variations of $\approx\! 3$ K ($\approx\! 5 \%$ relative changes) were observed and found to be associated with the kinematic substructures. The MWC 480 disk hosts a suite of tightly wound spiral arms. The spirals arms, in conjunction with the highly localized perturbations in the gas velocity structure (kinematic planetary signatures), indicate a giant planet, $\sim\! 1$ $M_{\rm Jup}$, at a radius of $\approx 245$ au. In the disk of HD 163296, the kinematic substructures were consistent with previous studies of Pinte et al. (2018a) and Teague et al. (2018a) advocating for multiple $\sim\! 1$ $M_{\rm Jup}$ planets embedded in the disk. These results demonstrate that molecular line observations that characterize the dynamical structure of disks can be used to search for the signatures of embedded planets. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: 32 pages, 21 figures, accepted for publication in ApJS, MAPS cross-references updated

The Molecules with ALMA at Planet-forming Scales (MAPS) Large Program provides a detailed, high resolution (${\sim}$10-20 au) view of molecular line emission in five protoplanetary disks at spatial scales relevant for planet formation. Here, we present a systematic analysis of chemical substructures in 18 molecular lines toward the MAPS sources: IM Lup, GM Aur, AS 209, HD 163296, and MWC 480. We identify more than 200 chemical substructures, which are found at nearly all radii where line emission is detected. A wide diversity of radial morphologies - including rings, gaps, and plateaus - is observed both within each disk and across the MAPS sample. This diversity in line emission profiles is also present in the innermost 50 au. Overall, this suggests that planets form in varied chemical environments both across disks and at different radii within the same disk. Interior to 150 au, the majority of chemical substructures across the MAPS disks are spatially coincident with substructures in the millimeter continuum, indicative of physical and chemical links between the disk midplane and warm, elevated molecular emission layers. Some chemical substructures in the inner disk and most chemical substructures exterior to 150 au cannot be directly linked to dust substructure, however, which indicates that there are also other causes of chemical substructures, such as snowlines, gradients in UV photon fluxes, ionization, and radially-varying elemental ratios. This implies that chemical substructures could be developed into powerful probes of different disk characteristics, in addition to influencing the environments within which planets assemble. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: 62 pages, 31 figures, accepted for publication in ApJS, MAPS cross-references updated, corrected Figure 21, updated gas disk sizes (Table 2, Figures 15-16) from associated Erratum

Understanding the temperature structure of protoplanetary disks is key to interpreting observations, predicting the physical and chemical evolution of the disk, and modeling planet formation processes. In this study, we constrain the two-dimensional thermal structure of the disk around Herbig Ae star HD 163296. Using the thermo-chemical code RAC2D, we derive a thermal structure that reproduces spatially resolved ALMA observations (~0.12 arcsec (13 au) - 0.25 arcsec (26 au)) of CO J = 2-1, 13CO J = 1-0, 2-1, C18O J = 1-0, 2-1, and C17O J = 1-0, the HD J = 1-0 flux upper limit, the spectral energy distribution (SED), and continuum morphology. The final model incorporates both a radial depletion of CO motivated by a time scale shorter than typical CO gas-phase chemistry (0.01 Myr) and an enhanced temperature near the surface layer of the the inner disk (z/r <= 0.21). This model agrees with the majority of the empirically derived temperatures and observed emitting surfaces derived from the J = 2-1 CO observations. We find an upper limit for the disk mass of 0.35 Msun, using the upper limit of the HD J = 1-0 and J = 2-1 flux. With our final thermal structure, we explore the impact that gaps have on the temperature structure constrained by observations of the resolved gaps. Adding a large gap in the gas and small dust additionally increases gas temperature in the gap by only 5-10%. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: 15 pages + 11 pages of appendix, accepted to ApJS, part of MAPS collaboration

The Molecules with ALMA at Planet-forming Scales large program (MAPS LP) surveyed the chemical structures of five protoplanetary disks across more than 40 different spectral lines at high angular resolution (0.15" and 0.30" beams for Bands 6 and 3, respectively) and sensitivity (spanning 0.3 - 1.3 mJy/beam and 0.4 - 1.9 mJy/beam for Bands 6 and 3, respectively). In this article, we describe our multi-stage workflow -- built around the CASA tclean image deconvolution procedure -- that we used to generate the core data product of the MAPS LP: the position-position-velocity image cubes for each spectral line. Owing to the expansive nature of the survey, we encountered a range of imaging challenges; some are familiar to the sub-mm protoplanetary disk community, like the benefits of using an accurate CLEAN mask, and others less well-known, like the incorrect default flux scaling of the CLEAN residual map first described in Jorsater & van Moorsel 1995 (the "JvM effect"). We distill lessons learned into recommended workflows for synthesizing image cubes of molecular emission. In particular, we describe how to produce image cubes with accurate fluxes via the "JvM correction," a procedure that is generally applicable to any image synthesized via CLEAN deconvolution but is especially critical for low S/N emission. We further explain how we used visibility tapering to promote a common, fiducial beam size and contextualize the interpretation of signal to noise ratio when detecting molecular emission from protoplanetary disks. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: ApJS accepted. Part of the MAPS ALMA large program series: http://www.alma-maps.info/. Updated bibliography with MAPS LP arXiv references