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At least 19 records

The need for standardization and improved open (meta)data practices in metaproteomics

Metaproteomics enables functional insight into microbial communities by identifying and quantifying proteins in complex samples. Yet, heterogeneous analytical workflows and the lack of standardization across experimental and bioinformatics stages hinder reproducibility and comparability, limiting integration with other omics data. We here present a community-developed reporting checklist tailored to the specific needs of metaproteomics. We also outline current efforts to enable structured and interoperable metadata capture, drawing on standards from proteomics and microbiome research wherever possible. By promoting transparent reporting and advancing metadata practices, our recommendations aim to align metaproteomics more closely with FAIR principles and support reproducible and interoperable research practices.

Armengaud, Jean [Universite Paris-Saclay, France]

Improved Design Standard for High Temperature Molten Nitrate Salt Tank Design

The Preliminary Design Guide Outline is intended to create a first iteration of the sections of the future Molten Salt Design guide, with an emphasis on gaps in the current industry accepted standard base that already exists. This outline will be a skeleton for the standard moving forward. With this outline, gaps within the current knowledge base are outlined to guide research moving forward.

14 SOLAR ENERGY

Adaptive Protection and Validated Models to Enable Deployment of High Penetrations of Solar PV (PV-MOD)

The availability and validation of various PV models in commercial tools differ, with some models not yet thoroughly validated for advanced inverter functionalities and reliable performance under weak system conditions. Many existing models do not fully incorporate new inverter control functions, which can affect system stability. The increasing deployment of solar PV and other inverter-based resources (IBRs), including distributed energy resources (DERs), is influencing the reliable operation of protection schemes in distribution systems and microgrids. Emerging adaptive protection schemes (APS) offer new opportunities for protecting these systems during varying configurations and DER operating conditions, though their demonstration and validation remain limited. Adaptive protection schemes face similar challenges, as they are typically designed for specific configurations. There is a growing need for tools and methodologies to streamline the deployment of adaptive protection for safe and reliable DER integration. The project main objective was to develop and validate high-fidelity generic models of solar PV facilities for stability, protection, EMT, and QSTS analyses. This objective was achieved, and these models can now be integrated into commercial software tools, enabling utilities, vendors, and developers to study high-penetration PV systems more confidently. The project also demonstrated advanced applications of these models, including the design and deployment of adaptive protection schemes in high-penetration field applications and microgrids, supporting grid safety and reliability. Several milestones were reached by the end of the project. A sophisticated inverter test plan was developed, and inverters representative of the North American marketplace were selected. EPRI and NREL tested various inverters, conforming to IEEE standards. Improvements were made to existing generic models of IBR units, IBR plants, and aggregated feeders for various analyses. The first generic electromagnetic transient (EMT) model for a solar PV plant was developed, conforming to IEEE Std 2800™-2022 and validated against laboratory measurements of a 2.2 MVA large-scale battery energy storage system (BESS) inverter. That model was then used to produce reference responses illustrating examples of validated and verified IBR plant models that pass or fail tests for technical minimum capability and performance as specified in the IEEE standard. The developed, tested, and validated generic models can be used for transmission planning, stability assessments, expansion planning, and evaluating potential future IBR interconnection requirements. They can also support interconnection screens and conformity assessments of IBR plants, including solar PV. The project significantly contributed to the ongoing standardization and model-based representation and verification of IBR responses. The project further addressed challenges of common distribution protection schemes with increasing deployment of DER by developing, validating, and demonstrating adaptive protection schemes (APS) that can improve the reliable and safe integration of DER into distribution systems. New APS were designed using improved DER models for three common distribution systems: a radial feeder, a meshed network, and a microgrid. Modeling and hardware-in-the-loop (HIL) testing of the APS were conducted, successfully showing their effectiveness and selectivity. Proof-of-concept field demonstration was achieved for two APS, i.e., one on a radial feeder and another one in a microgrid. Field demonstration could not be achieved for the APS on a meshed network, primarily due apprehension of one utility partner and also due to limited access to the protective algorithms in the network protectors. Guidelines developed from the lessons learned in the project lay out the general process followed in the design, installation, and commissioning of APS for various distribution systems. Distribution utility partners’ apprehension about field demonstration of the new APS were addressed—with varying success—by taking a stepped risk-management approach of modeling of a wide range of sensitivities first, performing in-depth proof-of-concept testing in the laboratory including HIL next, and finally deliberately implementing and commissioning the actual protection equipment and algorithms into parts of—or in parallel operation to—the three real distribution systems. Future work should include pilot projects that further show the acceptable performance of the developed APS before these schemes be rolled out more widely. Inclusion of both utility and original equipment manufacturers (OEMs) in future projects could increase chances of successful field demonstration. Despite challenges in achieving the field demonstration goal of the project for all three APS, the research significantly contributed to the innovation of adaptive protection solutions for scalable and reliable DER integration into distribution systems. This project significantly enhances the understanding of the impact of using appropriate inverter models on distribution and transmission (T&D) systems. By addressing the limitations of existing generic models, the project introduces high-fidelity models for stability, protection, electromagnetic transient (EMT), and quasi-static time series (QSTS) analyses. These models, integrated into commercial software tools, enable utilities, vendors, and developers to confidently study high-penetration PV systems. The project also demonstrates advanced applications, including adaptive protection schemes (APS) for distribution systems and microgrids, ensuring grid safety and reliability. The technical effectiveness and economic feasibility of the methods are evident through the development and validation of sophisticated inverter test plans and the selection of representative inverters. Testing by EPRI and NREL on retail, commercial, and utility-scale inverters, conforming to IEEE standards, underscores the robustness of the models. Improvements to existing generic models for various analyses further enhance their validity and applicability. The project also identifies gaps in common distribution protection schemes and designed new APS using improved DER models, demonstrating their effectiveness through modeling and hardware-in-the-loop (HIL) testing. The project’s benefits to the public are manifold. By advancing the standardization and model-based representation of IBR response, it supports transmission planning, stability assessments, and future IBR interconnection requirements. The generic models can facilitate better communication between transmission planners and developers, supporting expected IBR plant capability and performance. Additionally, the development of APS for radial feeders, meshed networks, and microgrids supports the integration of distributed energy resources (DERs) into distribution systems, enhancing grid reliability and safety. The project’s emphasis on thorough testing and simplicity in design ensures practical and scalable solutions for DER integration.

14 SOLAR ENERGY

Standard Library Plant Controller Model Specification for a Grid-Forming Hybrid Control Inverter-Based Resource (REPCGFM_C1)

This document describes a standard library plant controller model to interface with the grid-forming hybrid control inverter-based resource (IBR) model. The initial version of model specification was jointly developed by Pacific Northwest National Laboratory (PNNL), Tesla Energy, and EPRI, and it was revised multiple times later to incorporate suggestions from WECC MVS members. Tesla Energy provided main control algorithms to support the development of this model specification. This standard library model is developed to help the utility industry better understand the GFM technology. The model could be used to represent equipment for long-term planning studies where vendor-specific models are not available. As equipment matures and improves, standard library models will be updated to capture the new functionalities of GFMs. It is not intended that these models will always remain representative of all future GFM technologies.

24 POWER TRANSMISSION AND DISTRIBUTION

Standard Library Grid-Forming Hybrid Control Inverter-Based Resource Model Specification (REGFM_C1)

This document describes a standard library grid-forming (GFM) hybrid control inverter-based resource (IBR) model. The GFM hybrid control approach implements both a typical GFM control and a typical grid-following (GFL) control inside one single inverter simultaneously, so that it can take advantage of both methods without comprising the benefits of a typical GFM. The initial version of model specification was jointly developed by Pacific Northwest National Laboratory (PNNL), Tesla Energy, and EPRI, and it was revised multiple times later to incorporate suggestions from WECC MVS members. Tesla Energy provided main control blocks to support the development of this model specification. This standard library model is developed to help the utility industry better understand the GFM technology. The model could be used to represent equipment for long-term planning studies where vendor-specific models are not available. As equipment matures and improves, standard library models will be updated to capture the new functionalities of GFMs. It is not intended that these models will always remain representative of all future GFM technologies.

24 POWER TRANSMISSION AND DISTRIBUTION

A new Monte Carlo generator for BSM physics in B → K*ℓ+ℓ− decays with an application to lepton non-universality in angular distributions

Abstract Within the widely used EvtGen framework, we have added a new event generator model forB → K * ℓ + ℓ − with improved standard model (SM) decay amplitudes and possible BSM physics contributions, which are implemented in the operator product expansion in terms of Wilson coefficients. This event generator can then be used to estimate the statistical sensitivity of a simulated experiment to the most general BSM signal resulting from dimension-six operators. We describe the advantages and potential of the newly developed ‘Sibidanov Physics Generator’ in improving the experimental sensitivity of searches for lepton non-universal BSM physics and clarifying signatures. The new generator can properly simulate BSM scenarios, interference between SM and BSM amplitudes, and correlations between different BSM observables as well as acceptance bias. We show that exploiting such correlations substantially improves experimental sensitivity. As a demonstration of the utility of the MC generator, we examine the prospects for improved measurements of lepton non-universality in angular distributions forB→K * ℓ + ℓ − decays from the expected 50 ab −1 data set of the Belle II experiment, using a four-dimensional unbinned maximum likelihood fit. We describe promising experimental signatures and correlations between observables. The use of lepton-universality violating ∆-observables significantly reduces uncertainties in the SM expectations due to QCD and resonance effects and is ideally suited for Belle II with the large data sets expected in the next decade. Thanks to the clean experimental environment of ane + e − machine, Belle II should be able to probe BSM physics in the Wilson coefficientsC 7 and$$ {C}_7^{\prime } $$ C 7 ′ , which appear at lowq 2 in the di-electron channel.

Physics

Anion-exchange membrane water electrolysis: insights from round-robin testing

As research and industrial interest in anion-exchange membrane water electrolysis (AEMWE) grows, there is an increasing need for reliable baselines and cross-lab validation of results. The wide variety of material sets and operating conditions under consideration for AEMWE has thus far limited efforts for standardization. In this study, round-robin testing was conducted in deionized water and KOH-based supporting electrolyte by 5 institutions from academia, national laboratories, and industry to provide baseline performance data and identify sources of cross-lab variability. Baseline membrane electrode assemblies were fabricated with commercial catalysts, membranes, and transport layers using standard techniques and tested using reagent-grade electrolytes, aiming for accessibility rather than state-of-the-art performance. From all tests, the average voltage at 1 A/cm 2 was 2.72 ± 0.17 V and 1.87 ± 0.03 V in deionized water and 0.1 M KOH, respectively. The maximum in-house and cross-lab variations at this current density were 118 mV and 476 mV in water and 60 and 88 mV in 0.1 M KOH. The KOH purity, station contamination, and temperature control were identified as possible factors affecting performance between labs, with in-house specific variation attributed to sample-to-sample differences in fabrication, cell assembly, and station contamination. This work provides a commercial baseline for the field and highlights the need for improved standardization and reproducibility in AEMWE research.

08 HYDROGEN

Workflows Community Summit 2024: Future Trends and Challenges in Scientific Workflows

The 2024 Workflows Community Summit report presents the outcomes of a three-day international gathering that brought together 109 experts from 18 countries to discuss future trends and challenges in scientific workflows. The summit focused on six key areas: time-sensitive workflows, convergence of AI and HPC workflows, multi-facility workflows, heterogeneous HPC environments, user experience and interfaces, and FAIR computational workflows. Discussions highlighted emerging challenges such as integrating AI with traditional HPC, managing workflows across diverse facilities, addressing heterogeneity in computing environments, and ensuring workflows are findable, accessible, interoperable, and reusable (FAIR). The report outlines recent advances, ongoing challenges, and provides recommendations for each topic area, emphasizing the need for standardization, improved interoperability, and the development of more sophisticated tools and frameworks to support the evolving landscape of scientific workflows in the era of exascale computing and AI integration.

97 MATHEMATICS AND COMPUTING

Diabetes-specific formula with standard of care improves glycemic control, body composition, and cardiometabolic risk factors in overweight and obese adults with type 2 diabetes: results from a randomized controlled trial

Background and aims Medical nutrition therapy is important for diabetes management. This randomized controlled trial investigated the effects of a diabetes-specific formula (DSF) on glycemic control and cardiometabolic risk factors in adults with type 2 diabetes (T2D). Methods Participants ( n = 235) were randomized to either DSF with standard of care (SOC) (DSF group; n = 117) or SOC only (control group; n = 118). The DSF group consumed one or two DSF servings daily as meal replacement or partial meal replacement. The assessments were done at baseline, on day 45, and on day 90. Results There were significant reductions in glycated hemoglobin (−0.44% vs. –0.26%, p = 0.015, at day 45; −0.50% vs. −0.21%, p = 0.002, at day 90) and fasting blood glucose (−0.14 mmol/L vs. +0.32 mmol/L, p = 0.036, at day 90), as well as twofold greater weight loss (−1.30 kg vs. –0.61 kg, p < 0.001, at day 45; −1.74 kg vs. –0.76 kg, p < 0.001, at day 90) in the DSF group compared with the control group. The decrease in percent body fat and increase in percent fat-free mass at day 90 in the DSF group were almost twice that of the control group (1.44% vs. 0.79%, p = 0.047). In addition, the percent change in visceral adipose tissue at day 90 in the DSF group was several-fold lower than in the control group (−6.52% vs. –0.95%, p < 0.001). The DSF group also showed smaller waist and hip circumferences, and lower diastolic blood pressure than the control group (all overall p ≤ 0.045). Conclusion DSF with SOC yielded significantly greater improvements than only SOC in glycemic control, body composition, and cardiometabolic risk factors in adults with T2D.

Tey, Siew Ling

A Review of Distributed Wind Interconnection Technology and Standards

The objectives of this report are to discuss the uniqueness of power converters in distributed wind (DW), identify challenges in complying with existing standards, prioritize technological innovations to facilitate interconnection of DW energy systems, and, where necessary, propose potential clarifications or revisions to standards. This report evaluates IEEE 1547-2018, IEEE 1547.1-2020, and UL 1741 SB standards and their implications for DW. A standards review and interviews of DW industry stakeholders were conducted to identify challenges in the application of current standards to DW. The study concludes with a combination of recommendations of pathways towards facilitating DW product commercialization and DW interconnection, which draws on participation from multiple stakeholders in the space. These solutions can continue to be explored to improve DW standards compliance, improve the applicability of the standards to DW, reduce certification testing barriers, and ensure the safe and reliable operation of DW energy resources and electric power systems.

17 WIND ENERGY

MISIP: a data standard for the reuse and reproducibility of any stable isotope probing-derived nucleic acid sequence and experiment

DNA/RNA-stable isotope probing (SIP) is a powerful tool to link in situ microbial activity to sequencing data. Every SIP dataset captures distinct information about microbial community metabolism, process rates, and population dynamics, offering valuable insights for a wide range of research questions. Data reuse maximizes the information derived from the labor and resource-intensive SIP approaches. Yet, a review of publicly available SIP sequencing metadata showed that critical information necessary for reproducibility and reuse was often missing. Here, we outline the Minimum Information for any Stable Isotope Probing Sequence (MISIP) according to the Minimum Information for any (x) Sequence (MIxS) framework and include examples of MISIP reporting for common SIP experiments. Our objectives are to expand the capacity of MIxS to accommodate SIP-specific metadata and guide SIP users in metadata collection when planning and reporting an experiment. The MISIP standard requires 5 metadata fields—isotope, isotopolog, isotopolog label, labeling approach, and gradient position—and recommends several fields that represent best practices in acquiring and reporting SIP sequencing data (e.g., gradient density and nucleic acid amount). The standard is intended to be used in concert with other MIxS checklists to comprehensively describe the origin of sequence data, such as for marker genes (MISIP-MIMARKS) or metagenomes (MISIP-MIMS), in combination with metadata required by an environmental extension (e.g., soil). The adoption of the proposed data standard will improve the reuse of any sequence derived from a SIP experiment and, by extension, deepen understanding of in situ biogeochemical processes and microbial ecology.

Simpson, Abigayle

Wasserstein normalized autoencoder for anomaly detection

A novel anomaly detection algorithm is presented. The Wasserstein normalized autoencoder (WNAE) is a normalized probabilistic model that minimizes the Wasserstein distance between the learned probability distribution—a Boltzmann distribution where the energy is the reconstruction error of the autoencoder (AE)—and the distribution of the training data. This algorithm has been developed and applied to the identification of semivisible jets—conical sprays of visible standard model (SM) particles and invisible dark matter states—with the CMS experiment at the CERN LHC. Trained on jets of particles from simulated SM processes, the WNAE is shown to learn the probability distribution of the input data in a fully unsupervised fashion, such that it effectively identifies new physics jets as anomalies. The model exhibits stable, convergent training and recovers strong classification performance for a wide range of signals against the selected background process, for which a standard AE fails because of outlier reconstruction. In addition, the model improves upon standard normalized autoencoders while remaining fully agnostic to the signal. The WNAE directly tackles the problem of outlier reconstruction, a common failure mode of autoencoders in anomaly detection tasks.

Hayrapetyan, Aram [Yerevan Phys. Inst.]

Searching for beyond the Standard Model physics using the improved description of 100 Mo $2\nu \beta \beta$ decay spectral shape with CUPID-Mo

The current experiments searching for neutrinoless double-β ($0\nu \beta \beta$) decay also collect large statistics of Standard Model allowed two-neutrino double-β ($2\nu \beta \beta$ ) decay events. These can be used to search for Beyond Standard Model (BSM) physics via $2\nu \beta \beta$ decay spectral distortions. 100 Mo has a natural advantage due to its relatively short half-life, allowing higher $2\nu \beta \beta$ decay statistics at equal exposures compared to the other isotopes. We demonstrate the potential of the dual read-out bolometric technique exploiting a 100 Mo exposure of 1.47 kg years, acquired in the CUPID-Mo experiment at the Modane underground laboratory (France). We set limits on $0\nu \beta \beta$ decays with the emission of one or more Majorons, on $2\nu \beta \beta$ decay with Lorentz violation, and $2\nu \beta \beta$ decay with a sterile neutrino emission. In this analysis, we investigate the systematic uncertainty induced by modeling the $2\nu \beta \beta$ decay spectral shape parameterized through an improved model, an effect never considered before. This work motivates searches for BSM processes in the upcoming CUPID experiment, which will collect the largest amount of $2\nu \beta \beta$ decay events among the next-generation experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Scaling up the transcorrelated density matrix renormalization group

Explicitly correlated methods, such as the transcorrelated method which shifts a Jastrow or Gutzwiller correlator from the wave function to the Hamiltonian, are designed for high-accuracy calculations of electronic structures, but their application to larger systems has been hampered by the computational cost. We develop improved techniques for the transcorrelated density-matrix renormalization group (DMRG), in which the ground state of the transcorrelated Hamiltonian is represented as a matrix product state (MPS), and demonstrate large-scale calculations of the ground-state energy of the two-dimensional Fermi-Hubbard model. Our developments stem from three technical inventions: (i) constructing matrix product operators (MPOs) of transcorrelated Hamiltonians with low bond dimension and high sparsity, (ii) exploiting the entanglement structure of the ground states to increase the accuracy of the MPS representation, and (iii) optimizing the nonlinear parameter of the Gutzwiller correlator to mitigate the nonvariational nature of the transcorrelated method. Here, we examine systems of size up to 12×12 lattice sites, four times larger than previous transcorrelated DMRG studies, and demonstrate that transcorrelated DMRG yields significant improvements over standard nontranscorrelated DMRG for equivalent computational effort. Transcorrelated DMRG reduces the error of the ground-state energy by 2.4×–14×, with the smallest improvement seen for a small system at half filling and the largest improvement in a dilute closed-shell system.

Density matrix renormalization group

Post-composing ontology terms for efficient phenotyping in plant breeding

Abstract Ontologies are widely used in databases to standardize data, improving data quality, integration, and ease of comparison. Within ontologies tailored to diverse use cases, post-composing user-defined terms reconciles the demands for standardization on the one hand and flexibility on the other. In many instances of Breedbase, a digital ecosystem for plant breeding designed for genomic selection, the goal is to capture phenotypic data using highly curated and rigorous crop ontologies, while adapting to the specific requirements of plant breeders to record data quickly and efficiently. For example, post-composing enables users to tailor ontology terms to suit specific and granular use cases such as repeated measurements on different plant parts and special sample preparation techniques. To achieve this, we have implemented a post-composing tool based on orthogonal ontologies providing users with the ability to introduce additional levels of phenotyping granularity tailored to unique experimental designs. Post-composed terms are designed to be reused by all breeding programs within a Breedbase instance but are not exported to the crop reference ontologies. Breedbase users can post-compose terms across various categories, such as plant anatomy, treatments, temporal events, and breeding cycles, and, as a result, generate highly specific terms for more accurate phenotyping.

Mathematical & Computational Biology

A generalized and adaptable tensor-contraction-based cluster expansion formalism for multicomponent solids

Density functional theory (DFT)-based simulations of materials have first-principles accuracy, but are very computationally expensive. For simulating various properties of multi-component alloys, the cluster expansion (CE) technique has served as the standard workaround to improve computational efficiency. However, the standard CE technique is difficult to extend to exotic and/or low-symmetry lattices, often implemented via iteration over particular cluster types, which must be enumerated per lattice structure. In this work, we introduce the tensor cluster expansion (TCE), implemented in the open-source code tce-lib, which maps correlation functions to mixed tensor contractions, eliminating the need to iterate over cluster types and additionally making the calculation of correlation functions well-suited for massively parallel architectures like GPUs. We show that local interaction energies are an immediate consequence of the TCE formalism, yielding nearly $\mathcal{O}$(1) energy difference calculations. We then use this formalism to fit CE models for the TaW and CoNiCrFeMn systems, and use these models to respectively compute the enthalpy of mixing curve and Cowley short-range order parameters, showing excellent agreement with ground truth data.

Cluster expansion

The Effect of Luminance Pattern on Nighttime Discomfort Glare Response - CRADA 653 (Abstract)

Light Emitting Diode (LED) adoption is critical for widespread energy savings from commercial outdoor lighting systems. A complaint from the public, concerns glare from LED light fixtures especially those with exposed LED arrays. This human factor study will examine luminance uniformity of the fixture aperture to identify parameters related to this response. The outcome will inform optical design by lighting manufacturers, retaining LED energy efficiency while mitigating glare. The results may also lead to improved industry standard glare metrics for lighting. Pacific Northwest National Laboratory’s (PNNL) Lighting Science and Technology Lab in Portland OR has a purpose-built apparatus with exposed LED arrays that have been used for prior work. It can easily be adapted for use in this experiment. Interchangeable templates will allow changing patterns for the stimulus. Glare ratings from the recruited subjects will be analyzed and reported in a peer-reviewed journal for application by luminaire manufacturers for improved products. The McClung Foundation’s interest is to better understand human perception of lighting, leading to more comfortable and effective visual environments. Members of the Foundation’s Technical Review Committee will be instrumental in reviewing the experimental design, analysis, and the final report. They will also help disseminate information about the results within the lighting community.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Utilization of Data Augmentation Techniques in Automated Inspection Systems for Defect Detection in Metals With Limited Data

Accurate identification of defects on metal surfaces is of great interest to many industry sectors, such as the automotive and aerospace industries. In contrast to conventional manual inspection techniques, recent automated inspection systems employ deep learning models trained to detect defects rapidly and precisely. The development of these models often requires a substantial image dataset to acquire adequate knowledge of defect features and enhance their predictive accuracy. When data is limited, augmentation techniques are often used to improve the precision and accuracy of defect detection systems. This study examined the prediction performance of two object detection models, namely Faster Region‐based Convolutional Neural Network (Faster R‐CNN) and You Only Look Once version 8 (YOLOv8), to identify dent defects in limited images of cast iron cylinder head surfaces. The original image set contains 46 images with 563 dents. To overcome limited data availability, common image augmentation techniques along with a copy‐paste method were applied. Results show that standard augmentation improved YOLOv8 accuracy by 8.00% and average precision (AP) by 3.00%. On the other hand, the copy‐paste technique achieved a 20.00% increase in accuracy and a 1% increase in AP with just 200 synthetic dents. Furthermore, these results provide support for using the copy‐paste augmentation strategy to enhance defect detection performance, with a limited dataset, contributing to more accurate defect identification in remanufacturing processes.

36 MATERIALS SCIENCE