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At least 91 records · Page 5

Optimal reconstruction of baryon acoustic oscillations for DESI 2024

Baryon acoustic oscillations (BAO) provide a robust standard ruler to measure the expansion history of the Universe through galaxy clustering. Density-field reconstruction is now a widely adopted procedure for increasing the precision and accuracy of the BAO detection. With the goal of finding the optimal reconstruction settings to be used in the DESI 2024 galaxy BAO analysis, we assess the sensitivity of the post-reconstruction BAO constraints to different choices in our analysis configuration, performing tests on blinded data from the first year of DESI observations (DR1), as well as on mocks that mimic the expected clustering and selection properties of the DESI DR1 target samples. Overall, we find that BAO constraints remain robust against multiple aspects in the reconstruction process, including the choice of smoothing scale, treatment of redshift-space distortions, fiber assignment incompleteness, and parameterizations of the BAO model. We also present a series of tests that DESI followed in order to assess the maturity of the end-to-end galaxy BAO pipeline before the unblinding of the large-scale structure catalogs.

79 ASTRONOMY AND ASTROPHYSICS↗

Molecular subtyping reveals immune alterations in IDH wild‐type lower‐grade diffuse glioma

Abstract Isocitrate dehydrogenase ( IDH ) wild‐type diffuse lower‐grade glioma (LGG) is usually associated with poor outcome, but there have been disputes over its clinical outcome and classification. We present here a robust gene expression‐based molecular classification of IDH wild‐type diffuse LGG into two subtypes with distinct biological and clinical features. A discovery cohort of 49 IDH wild‐type diffuse LGGs from the Chinese Glioma Genome Atlas (CGGA) was subjected to clustering and function analysis. Seventy‐three tumors from The Cancer Genome Atlas (TCGA) were used to validate our findings. Consensus clustering of transcriptional data uncovered concordant classification of two robust and prognostically significant subtypes of IDH wild‐type LGG. Subtype 1, associated with poorer outcomes, was characterized by significantly higher immune and cytolytic scores, M2 macrophages, and up‐regulation of immune exhaustion markers, while Subtype 2, which had elevated lymphocytes and plasma cells, showed relatively favorable survival. Somatic alteration analysis revealed that Subtype 1 showed more frequently deleted regions, such as the locus of CDKN2A / CDKN2B , DMRTA1 , C9orf53 , and MTAP . Furthermore, we developed and validated a five‐gene signature for better application of this acquired stratification. Our data demonstrate the biological and prognostic heterogeneity within IDH wild‐type diffuse LGGs and deepen our molecular understandi‐g of this tumor entity. © 2020 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.

Wu, Fan↗

Resilient Autonomous Wind Farms: Preprint

With the advent of an increasing number of control strategies that seek to optimize wind turbine performance on a farm-level, taking account of individual wind turbine information to achieve wind farm-level objectives has become an increasingly important goal. Methods for controlling wind turbines on an individual and farm level have seen significant development, and an abundance of new implementations for gathering and using data from turbines have created potential for novel control mechanisms which can further optimize the performance and delivery characteristics of a wind farm. A key element of making these wind farms more efficient is to develop reliable algorithms that use local sensor information that is already being collected, such as supervisory control and data acquisition (SCADA) data, local meteorological stations, and nearby radars/sodars/lidars. Making use of information from all wind turbines in a wind farm can enable such approaches as determining the atmospheric conditions across the farm, improving fault-finding, and enabling more efficient overall control of farm-wide optimizations through mechanisms such as wake-steering. However, these approaches typically involve a centralized communications and control center. In order to ensure the resilient operation of the farm, it is necessary to develop an approach which distributes the calculation and communication amongst multiple nodes throughout the farm. In this fashion, a redundant, robust, and secure network can be created, which can tolerate faults in calculation, communication, and even external attacks which seek to disrupt the operation of the wind farm. This paper introduces the use of the Raft Byzantine Fault Tolerance algorithm in the implementation of autonomous control of a wind farm. This implementation will allow for fault tolerance for malfunctioning nodes, sensors, transmitters, and connectors. This approach is equally extensible to account for malicious actors. It will be shown to achieve overall consensus, provided the number of faults/malicious nodes is less than 3$n$+1, where $n$ is the number of turbine cluster faults which may occur, and to be robust in the face of multiple arbitrary faults.

autonomous↗

Robust historical evapotranspiration trends across climate regimes

Evapotranspiration (ET) links the hydrological, energy and carbon cycles on the land surface. Quantifying ET and its spatio-temporal changes is also key to understanding climate extremes such as droughts, heatwaves and flooding. Regional ET estimates require reliable observation-based gridded ET datasets, and while many have been developed using physically based, empirically based and hybrid techniques, their efficacy, and particularly the efficacy of their uncertainty estimates, is difficult to verify. In this work, we extend the methodology used in Hobeichi et al. (2018) to derive two new versions of the Derived Optimal Linear Combination Evapotranspiration (DOLCE) product, with observationally constrained spatio-temporally varying uncertainty estimates, higher spatial resolution, more constituent products and extended temporal coverage (1980–2018). After demonstrating the efficacy of these uncertainty estimates with out-of-sample testing, we derive novel ET climatology clusters for the land surface, based on the magnitude and variability of ET at each location on land. The new clusters include three wet and three dry regimes and provide an approximation of Köppen–Geiger climate classes. The verified uncertainty estimates and extended time period then allow us to examine the robustness of historical trends spatially and in each of these six ET climatology clusters. We find that despite robust decreasing ET trends in some regions these do not correlate with behavioural ET clusters. Each cluster, and the majority of the Earth's surface, shows clear robust increases in ET over the recent historical period. The new datasets DOLCE V2.1 and DOLCE V3 can be used for benchmarking global ET estimates and for examining ET trends respectively.

54 ENVIRONMENTAL SCIENCES↗

Toward Accurate Modeling of Galaxy Clustering on Small Scales: Halo Model Extensions and Lingering Tension

This paper represents an effort to provide robust constraints on the galaxy–halo connection and simultaneously test the Planck ΛCDM cosmology using a fully numerical model of small-scale galaxy clustering. We explore two extensions to the standard Halo Occupation Distribution model: assembly bias, whereby halo occupation depends on both halo mass and the larger environment, and velocity bias, whereby galaxy velocities do not perfectly trace the velocity of the dark matter within the halo. Moreover, we incorporate halo mass corrections to account for the impact of baryonic physics on the halo population. We identify an optimal set of clustering measurements to constrain this "decorated" HOD model for both low- and high-luminosity galaxies in SDSS DR7. We find that, for low-luminosity galaxies, a model with both assembly bias and velocity bias provides the best fit to the clustering measurements, with no tension remaining in the fit. In this model, we find evidence for both central and satellite galaxy assembly bias at the 99% and 95% confidence levels, respectively. In addition, we find evidence for satellite galaxy velocity bias at the 99.9% confidence level. For high-luminosity galaxies, we find no evidence for either assembly bias or velocity bias, but our model exhibits significant tension with SDSS measurements. We find that all of these conclusions still stand when we include the effects of baryonic physics on the halo mass function, suggesting that the tension we find for high-luminosity galaxies may be due to a problem with our assumed cosmological model.

79 ASTRONOMY AND ASTROPHYSICS↗

Noise-aware optimization in nominally identical manufacturing and measuring systems for high-throughput parallel workflows

Device-to-device variability in experimental noise critically impacts reproducibility, especially in automated, high-throughput systems like additive manufacturing farms. While manageable in small labs, such variability can escalate into serious risks at larger scales, such as architectural 3D printing, where noise may cause structural or economic failures. This contribution presents a noise-aware decision-making algorithm that quantifies and models device-specific noise profiles to manage variability adaptively. It uses distributional analysis and pairwise divergence metrics with clustering to choose between single-device and robust multi-device Bayesian optimization strategies. Unlike conventional methods that assume homogeneous devices or enforce generic robustness, the proposed framework explicitly determines whether shared optimization across devices is appropriate based on the degree of inter-device noise heterogeneity. This enables improved performance, reproducibility, and efficiency. An experimental case study involving three nominally identical 3D printers (same brand, model, and close serial numbers) demonstrates reduced redundancy, lower resource usage, and improved reliability, along with improved convergence stability and solution quality through the selection of the appropriate optimization strategy based on the degree of inter-device noise heterogeneity. Overall, this framework establishes a general approach for precision- and resource-aware optimization in scalable, automated experimental platforms, demonstrated here on a representative multi-device 3D printing case study.

Schenk, Christina↗

DESI mock challenge: constructing DESI galaxy catalogues based on FastPM simulations

Together with larger spectroscopic surveys such as the Dark Energy Spectroscopic Instrument (DESI), the precision of large-scale structure studies and thus the constraints on the cosmological parameters are rapidly improving. Therefore, one must build realistic simulations and robust covariance matrices. We build galaxy catalogues by applying a halo occupation distribution (HOD) model upon the FastPM simulations, such that the resulting galaxy clustering reproduces high-resolution N-body simulations. While the resolution and halo finder are different from the reference simulations, we reproduce the reference galaxy two-point clustering measurements – monopole and quadrupole – to a precision required by the DESI Year 1 emission line galaxy sample down to non-linear scales, i.e. $k\lt 0.5\, h\, \mathrm{Mpc}^{-1}$ or $s\gt 10\, \mathrm{Mpc}\, h^{-1}$. Furthermore, we compute covariance matrices based on the resulting FastPM galaxy clustering – monopole and quadrupole. We study for the first time the effect of fitting on Fourier conjugate (e.g. power spectrum) on the covariance matrix of the Fourier counterpart (e.g. correlation function). We estimate the uncertainties of the two parameters of a simple clustering model and observe a maximum variation of 20 per cent for the different covariance matrices. Nevertheless, for most studied scales the scatter is between 2 and 10 per cent. Consequently, using the current pipeline we can precisely reproduce the clustering of N-body simulations and the resulting covariance matrices provide robust uncertainty estimations against HOD fitting scenarios. We expect our methodology will be useful for the coming DESI data analyses and their extension for other studies.

79 ASTRONOMY AND ASTROPHYSICS↗

Heterogeneous Supramolecular Catalysis through Immobilization of Anionic M 4 L 6 Assemblies on Cationic Polymers

Although most of the currently developed supramolecular catalysts that emulate enzymatic reactivity with unique selectivity and activity through specific host-guest interactions work under homogeneous conditions, enzymes in nature can operate under heterogeneous conditions as membrane-bound enzymes. In order to develop such a heterogeneous system, an immobilized chiral supramolecular cluster Ga 4 1 6 ( 2 ) was introduced into cross-linked polymers with cationic functionalities. These heterogeneous supramolecular catalysts were used in aza-Prins and aza-Cope reactions and successfully applied to continuous-flow reactions. Additionally, they showed high durability and maintained high turnovers for long periods of time. In sharp contrast to the majority of examples of heterogenized homogeneous catalysts, the newly developed catalysts showed enhanced activity and robustness compared to those exhibited by the corresponding soluble cluster catalyst. An enantioenriched cluster was also immobilized to enable asymmetric catalysis, and activity and enantioselectivity of the supported chiral catalyst were maintained during recovery and reuse experiments and under a continuous-flow process. Significantly, the structure of the ammonium cations in the polymers affected stability, reactivity, and enantioselectivity, which is consistent with the hypothesis that the cationic moieties in the polymer support interact with cluster as an exohedral protecting shell, thereby influencing their catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improving galaxy clustering measurements with deep learning: analysis of the DECaLS DR7 data

ABSTRACT Robust measurements of cosmological parameters from galaxy surveys rely on our understanding of systematic effects that impact the observed galaxy density field. In this paper, we present, validate, and implement the idea of adopting the systematics mitigation method of artificial neural networks for modelling the relationship between the target galaxy density field and various observational realities including but not limited to Galactic extinction, seeing, and stellar density. Our method by construction allows a wide class of models and alleviates overtraining by performing k-fold cross-validation and dimensionality reduction via backward feature elimination. By permuting the choice of the training, validation, and test sets, we construct a selection mask for the entire footprint. We apply our method on the extended Baryon Oscillation Spectroscopic Survey (eBOSS) Emission Line Galaxies (ELGs) selection from the Dark Energy Camera Legacy Survey (DECaLS) Data Release 7 and show that the spurious large-scale contamination due to imaging systematics can be significantly reduced by up-weighting the observed galaxy density using the selection mask from the neural network and that our method is more effective than the conventional linear and quadratic polynomial functions. We perform extensive analyses on simulated mock data sets with and without systematic effects. Our analyses indicate that our methodology is more robust to overfitting compared to the conventional methods. This method can be utilized in the catalogue generation of future spectroscopic galaxy surveys such as eBOSS and Dark Energy Spectroscopic Instrument (DESI) to better mitigate observational systematics.

79 ASTRONOMY AND ASTROPHYSICS↗

A new constraint on galaxy–halo connections of [O ii ] emitters via HOD modelling with angular clustering and luminosity functions from the Subaru HSC survey

ABSTRACT Establishing a robust connection model between emission-line galaxies (ELGs) and their host dark haloes is of paramount importance in anticipation of upcoming redshift surveys. We propose a novel halo occupation distribution (HOD) framework that incorporates galaxy luminosity, a key observable reflecting ELG star-formation activity, into the galaxy occupation model. This innovation enables prediction of galaxy luminosity functions (LFs) and facilitates joint analyses using both angular correlation functions (ACFs) and LFs. Using physical information from luminosity, our model provides more robust constraints on the ELG–halo connection compared to methods relying solely on ACF and number density constraints. Our model was applied to $\rm [O\, {\small II}]$-emitting galaxies observed at two redshift slices at $z=1.193$ and 1.471 from the Subaru Hyper Suprime-Cam PDR2. Our model effectively reproduces observed ACFs and LFs observed in both redshift slices. Compared to the established Geach et al. HOD model, our approach offers a more nuanced depiction of ELG occupation across halo mass ranges, suggesting a more realistic representation of ELG environments. Our findings suggest that ELGs at $z\sim 1.4$ may evolve into Milky-Way-like galaxies, as their inferred halo masses evolve accordingly based on the extended Press–Schechter formalism, highlighting their role as potential building blocks in galaxy formation scenarios. By incorporating the LF as a constraint linking galaxy luminosity to halo properties, our HOD model provides a more precise understanding of ELG-host halo relationships. Furthermore, this approach facilitates the generation of high-quality ELG mock catalogues for future surveys. As the LF is a fundamental observable, our framework is potentially applicable to diverse galaxy populations, offering a versatile tool for analysing data from next-generation galaxy surveys.

Ishikawa, Shogo (ORCID:0000000221184211)↗

Enhancing Cluster Identification in Atom Probe Tomography Data Using Transfer Learning

Atom probe tomography (APT) has enabled the direct visualization of solute clusters, providing valuable insights into material structures. This clustering is crucial for understanding the nanoscale composition and behavior of materials, which can significantly influence their mechanical and physical properties. However, the widely used clustering methods in the APT community face challenges such as subjective parametric selection and limited applicability, particularly in dealing with overlapping clusters, nested clusters, and artifacts across different scales, such as precipitates and dislocations. To address these challenges, we present a framework based on density-based cluster analysis that aims to be less dependent on user input, reproducible, and robust.

Density-based clustering↗

Heterobinuclear Molecular Precursors Direct the Formation of Supported Subnanometer Cu–M Clusters with Tunable Catalytic Behavior

Subnanometer bimetallic clusters hold great promise for catalytic applications due to their unique electronic properties and high surface-to-volume ratios. However, precise control over their composition and size remains a major challenge, particularly for immiscible metal pairs. Here, we report a surface-anchored molecular approach for synthesizing ∼0.7–0.8 nm Cu–M (M = Ru, Mo, W, Fe) bimetallic clusters on mesoporous silica supports, using heterobinuclear N-heterocyclic carbene (NHC)-based complexes as precursors. The NHC ligand functionalized with an alkoxysilane anchor enables robust grafting to the silica interface. Controlled calcination and reduction lead to subnanometer clusters with tunable composition, dictated by the metal–metal bond stability in the precursor. In situ transmission electron microscopy reveals cluster growth proceeds via sintering of adjacent surface-bound units, while elevated temperatures above 300 °C triggering diffusion and phase separation. Catalytic testing in ethylene hydrogenation demonstrates composition-dependent activity and kinetics, with CuRu and CuW clusters exhibiting lower apparent activation energy barriers compared with monometallic Cu nanoparticles. This study establishes a generalizable strategy for the interfacial synthesis of alloyed clusters from molecular precursors and provides mechanistic insight into how precursor design governs nanostructure formation and catalytic behavior.

N-heterocyclic carbene↗

Dark Energy Survey Year 3 results: Cosmological constraints from galaxy clustering and galaxy-galaxy lensing using the MagLim lens sample

The cosmological information extracted from photometric surveys is most robust when multiple probes of the large scale structure of the Universe are used. Two of the most sensitive probes are the clustering of galaxies and the tangential shear of background galaxy shapes produced by those foreground galaxies, so-called galaxy-galaxy lensing. Combining the measurements of these two two-point functions leads to cosmological constraints that are independent of the way galaxies trace matter (the galaxy bias factor). The optimal choice of foreground, or lens, galaxies is governed by the joint, but conflicting requirements to obtain accurate redshift information and large statistics. We present cosmological results from the full 5000 deg 2 of the Dark Energy Survey’s first three years of observations (Y3) combining those two-point functions, using for the first time a magnitude-limited lens sample (MagLim) of 11 million galaxies, especially selected to optimize such combination, and 100 million background shapes. We consider two flat cosmological models, the Standard Model with dark energy and cold dark matter ( Λ CDM ) a variation with a free parameter for the dark energy equation of state ( w CDM ). Both models are marginalized over 25 astrophysical and systematic nuisance parameters. In Λ CDM we obtain for the matter density Ω m = 0.320 - 0.034 + 0.041 and for the clustering amplitude S 8 ≡ σ 8 ( Ω m / 0.3 ) 0.5 = 0.778 - 0.031 + 0.037 , at 68% C.L. The latter is only 1 σ smaller than the prediction in this model informed by measurements of the cosmic microwave background by the Planck satellite. In w CDM we find Ω m = 0.32 - 0.046 + 0.044 , S 8 = 0.777 - 0.051 + 0.049 and dark energy equation of state w = - 1.031 - 0.379 + 0.218 . We find that including smaller scales, while marginalizing over nonlinear galaxy bias, improves the constraining power in the Ω m - S 8 plane by 31% and in the Ω m - w plane by 41% while yielding consistent cosmological parameters from those in the linear bias case. These results are combined with those from cosmic shear in a companion paper to present full DES-Y3 constraints from the three two-point functions ( 3 × 2 pt ).

79 ASTRONOMY AND ASTROPHYSICS↗

Ligand-Driven Electrochemical Tuning of Co 6 Se 8 Chevrel Clusters

Molecular “Chevrel-type” clusters of the formula Co 6 Se 8 L 6 (L = neutral ligand) are a well-studied class of clusters due to their utility as molecular analogues to the Chevrel extended solid phase and their application as subunits in hierarchical materials. However, their solution and optical properties remain relatively underexplored. Aiming to develop the fundamental relationships between the molecular and electronic structures of these clusters and their electrochemical and photophysical properties, this work reports the preparation of a series of Co 6 Se 8 (P­(C 6 H 4 R) 3 ) 6 -type clusters with R = Cl (1), F (2), H (3), CH 3 (4), and OCH 3 (5) via a stepwise synthetic approach. Solution and solid-state experimental characterization and density functional theory calculations reveal that the Co 6 Se 8 cores of 1–5 maintain consistent electronic and structural properties despite the variation of the triarylphosphine ligand para-substituent Hammett parameters (σ p ). However, cyclic voltammetry measurements indicate that the electron transfer energetics of 1–5 are strongly influenced by ligand substitution, with the E 1/2 of a given redox event spanning ∼0.5 V depending on the triarylphosphine ligand’s σ p . In conclusion, these findings support the characterization of Co 6 Se 8 clusters as atomically precise nanoclusters with both the structural robustness and the electrochemical tunability needed to act as components in larger charge transfer assemblies.

Wheaton, Amelia M. [Argonne National Laboratory (A↗

Optical properties of a diamond NV color center from capped embedded multiconfigurational correlated wavefunction theory

Diamond defects are among the most promising qubits. Modeling their properties through accurate quantum mechanical simulations can further their development into robust units of information. We use the recently developed capped density functional embedding theory (capped-DFET) with the multiconfigurational n-electron valence second-order perturbation theory to characterize the electronic excitation energies for different spin manifolds of the well-characterized negatively charged substitutional N defect adjacent to a vacancy (V C ) in diamond (N C V C − ). We successfully reproduce vertical excitation energies for both triplet and singlet states of N C V C − with errors < 0.1 eV. Unlike other embedding methods, capped-DFET exhibits robust predictions that are approximately independent of the embedded cluster size: it only requires a cluster to contain the defect atoms and their nearest neighbors (as small as a 40-atom capped cluster). Furthermore, our method is free from slowly converging Coulomb interactions between charged defects, and thus also only weakly dependent on supercell size.

Chemistry↗

Leveraging BERT and Network-Based Attention Analysis for Identifying Treatment Milestones in EHRs

This study introduces a sophisticated data-driven framework for analyzing Electronic Health Records (EHRs) using transformer-based models to identify and disentangle overlapping treatment contexts. The framework leverages a preprocessing pipeline that transforms structured procedural codes into semantically enriched descriptive text, enabling the use of attention mechanisms to cluster medical events into treatment milestones—cohesive and distinct components of care processes. The methodology is rigorously validated using synthetic datasets derived from the MIMIC-III database, designed to simulate the heterogeneity and overlapping procedural contexts characteristic of real-world EHR scenarios. Quantitative evaluation highlights the framework’s robustness in disentangling concurrent care pathways, with attention metrics and unsupervised clustering approaches demonstrating the ability to preserve intra-context relationships while distinguishing inter-context dependencies. By addressing challenges inherent in data heterogeneity, this approach provides a foundation for uncovering complex treatment patterns, advancing clinical decision-making, and optimizing resource allocation in diverse healthcare environments.

Kim, Minsu [ORNL] (ORCID:0000000224185535)↗

Neutrino event selection in the MicroBooNE liquid argon time projection chamber using Wire-Cell 3D imaging, clustering, and charge-light matching

An accurate and efficient event reconstruction is required to realize the full scientific capability of liquid argon time projection chambers (LArTPCs). The current and future neutrino experiments that rely on massive LArTPCs create a need for new ideas and reconstruction approaches. Wire-Cell, proposed in recent years, is a novel tomographic event reconstruction method for LArTPCs. The Wire-Cell 3D imaging approach capitalizes on charge, sparsity, time, and geometry information to reconstruct a topology-agnostic 3D image of the ionization electrons prior to pattern recognition. A second novel method, the many-to-many charge-light matching, then pairs the TPC charge activity to the detected scintillation light signal, thus enabling a powerful rejection of cosmic-ray muons in the MicroBooNE detector. A robust processing of the scintillation light signal and an appropriate clustering of the reconstructed 3D image are fundamental to this technique. In this paper, we describe the principles and algorithms of these techniques and their successful application in the MicroBooNE experiment. A quantitative evaluation of the performance of these techniques is presented. Using these techniques, a 95% efficient pre-selection of neutrino charged-current events is achieved with a 30-fold reduction of non-beam-coincident cosmic-ray muons, and about 80% of the selected neutrino charged-current events are reconstructed with at least 70% completeness and 80% purity.

3D imaging↗

Three dimensional cluster analysis for atom probe tomography using Ripley’s K-function and machine learning

The size and structure of spatial molecular and atomic clustering can significantly impact material properties and is therefore important to accurately quantify. Ripley’s K-function (K(r)), a measure of spatial correlation, can be used to perform such quantification when the material system of interest can be represented as a marked point pattern. This work demonstrates how machine learning models based on K (r)-derived metrics can accurately estimate cluster size and intra-cluster density in simulated three dimensional (3D) point patterns containing spherical clusters of varying size; over 90% of model estimates for cluster size and intra-cluster density fall within 11% and 18% error of the true values, respectively. These K (r)-based size and density estimates are then applied to an experimental APT reconstruction to characterize MgZn clusters in a 7000 series aluminum alloy. Here we find that the estimates are more accurate, consistent, and robust to user interaction than estimates from the popular maximum separation algorithm. Using K (r) and machine learning to measure clustering is an accurate and repeatable way to quantify this important material attribute.

36 MATERIALS SCIENCE↗