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At least 1,279 records · Page 71

Data augmentation for disruption prediction via robust surrogate models

The goal of this work is to generate large statistically representative datasets to train machine learning models for disruption prediction provided by data from few existing discharges. Such a comprehensive training database is important to achieve satisfying and reliable prediction results in artificial neural network classifiers. Here, we aim for a robust augmentation of the training database for multivariate time series data using Student-t process regression. We apply Student-t process regression in a state space formulation via Bayesian filtering to tackle challenges imposed by outliers and noise in the training data set and to reduce the computational complexity. Thus, the method can also be used if the time resolution is high. We use an uncorrelated model for each dimension and impose correlations afterwards via coloring transformations. We demonstrate the efficacy of our approach on plasma diagnostics data of three different disruption classes from the DIII-D tokamak. To evaluate if the distribution of the generated data is similar to the training data, we additionally perform statistical analyses using methods from time series analysis, descriptive statistics, and classic machine learning clustering algorithms.

97 MATHEMATICS AND COMPUTING↗

Neural network based emulation of galaxy power spectrum covariances: A reanalysis of BOSS DR12 data

We train neural networks to quickly generate redshift-space galaxy power spectrum covariances from a given parameter set (cosmology and galaxy bias). This covariance emulator utilizes a combination of traditional fully connected network layers and transformer architecture to accurately predict covariance matrices for the high redshift, north galactic cap sample of the BOSS DR12 galaxy catalog. We run simulated likelihood analyses with emulated and brute-force computed covariances, and we quantify the network’s performance via two different metrics: (1) difference in Χ 2 and (2) likelihood contours for simulated BOSS DR 12 analyses. We find that the emulator returns excellent results over a large parameter range. We then use our emulator to perform a reanalysis of the BOSS HighZ NGC galaxy power spectrum, and find that varying covariance with cosmology along with the model vector produces Ω m = $0.27⁢6$$^{+0.013}_{–0.015}$, H 0 = 70.2 ± 1.9 km/s/Mpc, and σ 8 = $0.67⁢4$$^{+0.058}_{–0.077}$. These constraints represent an average 0.46⁢σ shift in best-fit values and a 5% increase in constraining power compared to fixing the covariance matrix (Ω m = 0.293 ± 0.017, H 0 = 70.3 ± 2.0 km/s/Mpc, σ 8 = $0.70⁢2$$^{+0.063}_{–0.075}$). As a result, this work demonstrates that emulators for more complex cosmological quantities than second-order statistics can be trained over a wide parameter range at sufficiently high accuracy to be implemented in realistic likelihood analyses.

79 ASTRONOMY AND ASTROPHYSICS↗

Are quantum materials economically and environmentally sustainable?

Quantum materials have revolutionized energy, information, and healthcare technologies, yet their development has largely prioritized performance over economic and environmental impacts—key factors for industrial adoption. Using topological materials as a case study, we present a data-driven framework that evaluates over 16,000 materials based on cost, supply chain resilience, energy demand, toxicity, and environmental footprint. By integrating the recently proposed quantum weight – a metric quantifying quantum behavior – we reveal a striking trend: materials with stronger quantum effects often exhibit higher environmental impact, posing challenges for scalability and industrial adoption. To address this, we identify a small set of materials that achieve a balance between quantum functionality and sustainability. Furthermore, our approach enables high-throughput, AI-driven materials discovery that incorporates economic and environmental influences from the outset, guiding the development of quantum materials for next-generation microelectronics and energy harvesting technologies.

AI↗

Planck 2018 results - IV. Diffuse component separation

We present full-sky maps of the cosmic microwave background (CMB) and polarized synchrotron and thermal dust emission, derived from the third set of Planck frequency maps. These products have significantly lower contamination from instrumental systematic effects than previous versions. The methodologies used to derive these maps follow closely those described in earlier papers, adopting four methods (Commander, NILC, SEVEM, and SMICA) to extract the CMB component, as well as three methods (Commander, GNILC, and SMICA) to extract astrophysical components. Our revised CMB temperature maps agree with corresponding products in the Planck 2015 delivery, whereas the polarization maps exhibit significantly lower large-scale power, reflecting the improved data processing described in companion papers; however, the noise properties of the resulting data products are complicated, and the best available end-to-end simulations exhibit relative biases with respect to the data at the few percent level. Using these maps, we are for the first time able to fit the spectral index of thermal dust independently over 3° regions. We derive a conservative estimate of the mean spectral index of polarized thermal dust emission of β d = 1.55 ± 0.05, where the uncertainty marginalizes both over all known systematic uncertainties and different estimation techniques. For polarized synchrotron emission, we find a mean spectral index of β s = -3.1 ± 0.1, consistent with previously reported measurements. We note that the current data processing does not allow for construction of unbiased single-bolometer maps, and this limits our ability to extract CO emission and correlated components. The foreground results for intensity derived in this paper therefore do not supersede corresponding Planck 2015 products. For polarization the new results supersede the corresponding 2015 products in all respects.

79 ASTRONOMY AND ASTROPHYSICS↗

An investigation of Newton-Sketch and subsampled Newton methods

Sketching, a dimensionality reduction technique, has received much attention in the statistics community. In this paper, we study sketching in the context of Newton's method for solving finite-sum optimization problems in which the number of variables and data points are both large. In this work, we study two forms of sketching that perform dimensionality reduction in data space: Hessian subsampling and randomized Hadamard transformations. Each has its own advantages, and their relative tradeoffs have not been investigated in the optimization literature. Additionally, our study focuses on practical versions of the two methods in which the resulting linear systems of equations are solved approximately, at every iteration, using an iterative solver. The advantages of using the conjugate gradient method vs. a stochastic gradient iteration are revealed through a set of numerical experiments, and a complexity analysis of the Hessian subsampling method is presented.

97 MATHEMATICS AND COMPUTING↗

Strategies for Integrating Deep Learning Surrogate Models with HPC Simulation Applications

The emerging trend of the convergence of high performance computing (HPC), machine learning/deep learning (ML/DL), and big data analytics presents a host of challenges for large-scale computing campaigns that seek best practices to interleave traditional scientific simulation-based workloads with ML/DL models. A portfolio of systematic approaches to incorporate deep learning into modeling and simulation serves a vital need when we support AI for science at a computing facility. In this paper, we evaluate several strategies for deploying deep learning surrogate models in a representative physics application on supercomputers at the Oak Ridge Leadership Computing Facility (OLCF). We discuss a set of recommended deployment architectures and implementation approaches. We analyze and evaluate these alternatives and show their performance and scalability up to 1000 GPUs on two mainstream platforms equipped with different deep learning hardware and software stacks.

Yin, Junqi↗

Differentially Private K -Means Clustering Applied to Meter Data Analysis and Synthesis

The proliferation of smart meters has resulted in a large amount of data being generated. It is increasingly apparent that methods are required for allowing a variety of stakeholders to leverage the data in a manner that preserves the privacy of the consumers. The sector is scrambling to define policies, such as the so called ‘15/15 rule’, to respond to the need. However, the current policies fail to adequately guarantee privacy. Here, in this paper, we address the problem of allowing third parties to apply K-means clustering, obtaining customer labels and centroids for a set of load time series by applying the framework of differential privacy. We leverage the method to design an algorithm that generates differentially private synthetic load data consistent with the labeled data. We test our algorithm’s utility by answering summary statistics such as average daily load profiles for a 2-dimensional synthetic dataset and a real-world power load dataset.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Time-lapse seismic data inversion for estimating reservoir parameters using deep learning

Geologic carbon sequestration involves the injection of captured carbon dioxide ([Formula: see text]) into subsurface formations for long-term storage. The movement and fate of the injected [Formula: see text] plume is of great concern to regulators because monitoring helps to identify potential leakage zones and determines the possibility of safe long-term storage. To address this concern, we design a deep-learning framework for [Formula: see text] saturation monitoring to determine the geologic controls on the storage of the injected [Formula: see text]. We use different combinations of porosities and permeabilities for a given reservoir to generate saturation and velocity models. We train the deep-learning model with a few time-lapse seismic images and their corresponding changes in saturation values for a particular [Formula: see text] injection site. The deep-learning model learns the mapping from the change in the time-lapse seismic response to the change in [Formula: see text] saturation during the training phase. We then apply the trained model to data sets comprising different time-lapse seismic image slices (corresponding to different time instances) generated using different porosity and permeability distributions that are not part of the training to estimate the [Formula: see text] saturation values along with the plume extent. Our algorithm provides a deep-learning assisted framework for the direct estimation of [Formula: see text] saturation values and plume migration in heterogeneous formations using the time-lapse seismic data. Our method improves the efficiency of time-lapse inversion by streamlining the large number of intermediate steps in the conventional time-lapse inversion workflow. This method also helps to incorporate the geologic uncertainty for a given reservoir by accounting for the statistical distribution of porosity and permeability during the training phase. Tests on different examples verify the effectiveness of our approach.

Geochemistry & Geophysics↗

Searches for Neutrinos from Gamma-Ray Bursts Using the IceCube Neutrino Observatory

Gamma-ray bursts (GRBs) are considered as promising sources of ultra-high-energy cosmic rays (UHECRs) due to their large power output. Observing a neutrino flux from GRBs would offer evidence that GRBs are hadronic accelerators of UHECRs. Previous IceCube analyses, which primarily focused on neutrinos arriving in temporal coincidence with the prompt gamma-rays, found no significant neutrino excess. The four analyses presented in this paper extend the region of interest to 14 days before and after the prompt phase, including generic extended time windows and targeted precursor searches. GRBs were selected between 2011 May and 2018 October to align with the data set of candidate muon-neutrino events observed by IceCube. No evidence of correlation between neutrino events and GRBs was found in these analyses. Limits are set to constrain the contribution of the cosmic GRB population to the diffuse astrophysical neutrino flux observed by IceCube. Prompt neutrino emission from GRBs is limited to ≲1% of the observed diffuse neutrino flux, and emission on timescales up to 10 4 s is constrained to 24% of the total diffuse flux.

79 ASTRONOMY AND ASTROPHYSICS↗

Prime Time for Model-Predictive Control? Assessing the Technical and Market Readiness of Advanced Controls in Buildings

Despite three decades of extensive research and field testing that have consistently validated the benefits of Model Predictive Control (MPC) in building applications, the technology has seen limited market adoption. This paper evaluates the readiness of MPC for widespread deployment, showcases recent demonstrations and field tests across diverse building types, including residential, small commercial, large commercial, and campus settings. Our results demonstrate that MPC can optimize system operations to achieve load shifting, minimize curtailment of on-site generation, and reduce energy costs by up to 80 %, while maintaining or improving occupant comfort. We also show that MPC can effectively control large assets, such as MW-sized thermal storage systems, and respond to dynamic pricing signals. However, achieving scale remains difficult due to labor-intensive workflows, reliance on a “PhD-in-the-loop” for MPC design and maintenance, susceptibility to fragile data infrastructure, and persistent workforce education and acceptance barriers. To bridge this gap, we outline a transition from bespoke, labor intensive prototypes toward streamlined, segment-targeted deployment strategies that leverage model templates, semantic tools, and generative AI. By automating control configuration and reducing engineering effort, these recommendations provide a pathway for transforming successful research demonstrations into scalable, market ready solutions for MPC-based controls.

Pritoni, Marco↗

Representing Fine‐Scale Topographic Effects on Surface Radiation Balance in Hyper‐Resolution Land Surface Models

Land surface models are increasingly used to simulate land surface processes at hyper-spatial resolutions (e.g., ∼1 km). As model resolution increases, grid-scale topographic effects on surface radiation fluxes and their interactions between adjacent grids become more pronounced. However, current land surface models routinely neglect the fine-scale topographic effects on surface radiation balance. This study developed physically-based and computationally-efficient parameterizations (fineTOP) that explicitly resolve fine-scale topographic effects on downward shortwave and longwave radiation as well as land surface radiative properties. The newly developed parameterizations were implemented and tested in the Energy Exascale Earth System Model (E3SM) Land Model (ELM). Multi-decadal km-resolution ELM simulations over the California Sierra Nevada show that fine-scale topography significantly impacts the surface energy balance and snow processes across seasons. Slope determines the magnitude of topographic effects, while aspect controls their sign. For slopes larger than 30°, topography-induced change in annual surface temperature can be as large as 3.3 K. Regionally, the mean value and standard deviation of topography-induced changes in annual surface temperature are −0.22 ± 0.38 K and +0.25 ± 0.37 K over north-facing and south-facing slopes, respectively. Topography-induced changes in surface radiative properties account for 3.5% ± 13.8% of total topographic effects on annual net radiation. With fineTOP, ELM captures the aspect-dependence of snow cover fraction, snow water equivalent, and land surface temperature found in MODIS satellite observations and a snow reanalysis data set, while the default ELM fails to capture this phenomenon. The enhanced capability to represent fine-scale topographic effects on surface radiation balance can be used to advance understanding of the role of fine-scale topography in land surface processes and land-atmosphere interactions over mountainous regions.

Hao, Dalei [Pacific Northwest National Laboratory ↗

Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties

CNDOL is an a priori, approximate Fockian for molecular wave functions. In this study, we employ several modes of singly excited configuration interaction (CIS) to model molecular excitation properties by using four combinations of the one electron operator terms. Those options are compared to the experimental and theoretical data for a carefully selected set of molecules. The resulting excitons are represented by CIS wave functions that encompass all valence electrons in the system for each excited state energy. The Coulomb–exchange term associated to the calculated excitation energies is rationalized to evaluate theoretical exciton binding energies. This property is shown to be useful for discriminating the charge donation ability of molecular and supermolecular systems. Multielectronic 3D maps of exciton formal charges are showcased, demonstrating the applicability of these approximate wave functions for modeling properties of large molecules and clusters at nanoscales. This modeling proves useful in designing molecular photovoltaic devices. Our methodology holds potential applications in systematic evaluations of such systems and the development of fundamental artificial intelligence databases for predicting related properties.

Chemistry↗

Search for triple Higgs boson production in the 6⁢𝑏 final state using 𝑝⁢𝑝 collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for the production of three Higgs bosons (𝐻⁡𝐻⁡𝐻) in the $b\bar{b}b\bar{b}b\bar{b}$ final state is presented. The search uses 126 fb −1 of proton-proton collision data at $\sqrt{s}$ =13 TeV collected with the ATLAS detector at the Large Hadron Collider. The analysis targets both nonresonant and resonant production of 𝐻⁡𝐻⁡𝐻. The resonant interpretations primarily consider a cascade decay topology of 𝑋 →𝑆⁢𝐻 → 𝐻⁡𝐻⁡𝐻 with masses of the new scalars 𝑋 and 𝑆 up to 1.5 and 1 TeV, respectively. In addition to scenarios where 𝑆 is off-shell, the nonresonant interpretation includes a search for Standard Model 𝐻⁡𝐻⁡𝐻 production, with limits on the trilinear and quartic Higgs self-coupling set. No evidence for 𝐻⁡𝐻⁡𝐻 production is observed. An upper limit of 59 fb is set, at the 95% confidence level, on the cross section for Standard Model 𝐻⁡𝐻⁡𝐻 production.

Artificial neural networks↗

HERO WEC Belt Test Data

The following submission includes raw and processed data from the 2024 Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC) belt tests conducted using NREL's Large Amplitude Motion Platform (LAMP). A description of the motion profiles run during testing can be found in the run log document. Data was collected using NREL's Modular Ocean Data AcQuisition (MODAQ) system in the form of TDMS files. Data was then processed using Python and MATLAB and converted to MATLAB workspace, parquet, and csv file formats. During Data processing, a low pass filter was applied to each array and the arrays were then resampled to common 10Hz timestamps. A MATLAB data viewer script is provided to quickly visualize these data sets. The following arrays are contained in each test data file: - Time: Unix seconds timestamp - Test_Time: Time in seconds since beginning of test - POS_OS_1001: Encoder position in degrees (the encoder is located on the secondary shaft of the spring return and is driven by the winch after a 4.5:1 gear reduction) - LC_ST_1001: Anchor load cell data in lbf - PRESS_OS_2002: Air spring pressure in psi This data set has been developed by the National Renewable Energy Laboratory, operated by Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36-08GO28308. Funding provided by the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Water Power Technologies Office.

16 TIDAL AND WAVE POWER↗

The Imperial Valley Dark Fiber Project: Toward Seismic Studies Using DAS and Telecom Infrastructure for Geothermal Applications

We report that the Imperial Valley is a seismically active basin occupying the southern end of the Salton trough, an area of rapid extension, high heat flow, and abundant geothermal resources. This report describes an ongoing large-scale distributed acoustic sensing (DAS) recording study acquiring high-density seismic data on an array between Calipatria and Imperial, California. This 27 km array, operating on dark fiber since 9 November 2020, has recorded a wealth of local seismic events as well as ambient noise. The goal of the broader Imperial Valley Dark Fiber project is to evaluate passive DAS as a tool for geothermal exploration and monitoring. This report is intended to provide installation information, noise characteristics, and metadata for future studies utilizing the data set. Because of the relatively small number of basin-scale DAS studies that have been conducted to date, we also provide a range of lessons learned during the deployment to assist future researchers exploring this acquisition strategy.

15 GEOTHERMAL ENERGY↗

Deep-Learning-Derived Evaluation Metrics Enable Effective Benchmarking of Computational Tools for Phosphopeptide Identification

Tandem mass spectrometry (MS/MS)-based phosphoproteomics is a powerful technology for global phosphorylation analysis. However, applying four computational pipelines to a typical mass spectrometry (MS)-based phosphoproteomic dataset from a human cancer study, we observed a large discrepancy among the reported phosphopeptide identification and phosphosite localization results, underscoring a critical need for benchmarking. While efforts have been made to compare performance of computational pipelines using data from synthetic phosphopeptides, evaluations involving real application data have been largely limited to comparing the numbers of phosphopeptide identifications due to the lack of appropriate evaluation metrics. We investigated three deep learning-derived features as potential evaluation metrics: phosphosite probability, Delta RT and spectral similarity. Predicted phosphosite probability is computed by MusiteDeep, which provides high accuracy as previously reported; Delta RT is defined as the absolute retention time (RT) difference between RTs observed and predicted by AutoRT; and spectral similarity is defined as the Pearson’s correlation coefficient between spectra observed and predicted by pDeep2. Using a synthetic peptide dataset, we found that both Delta RT and spectral similarity provided excellent discrimination between correct and incorrect peptide-spectrum matches (PSMs) both when incorrect PSMs involved wrong peptide sequences and even when incorrect PSMs were caused by only incorrect phosphosite localization. Based on these results, we used all the three deep learning-derived features as evaluation metrics to compare different computational pipelines on diverse set of phosphoproteomic datasets and showed their utility in benchmarking performance of the pipelines. The benchmark metrics demonstrated in this study will enable users to select computational pipelines and parameters for routine analysis of phosphoproteomics data and will offer guidance for developers to improve computational methods.

59 BASIC BIOLOGICAL SCIENCES↗

Cosmological implications of the full shape of anisotropic clustering measurements in BOSS and eBOSS

We present the analysis of the full shape of anisotropic clustering measurement from the extended Baryon Oscillation Spectroscopic Survey (eBOSS) quasar sample together with the combined galaxy sample from the Baryon Oscillation Spectroscopic Survey (BOSS), re-analysed using an updated recipe for the non-linear matter power spectrum and the non-local bias parameters. We obtain constraints for flat Lambda cold dark matter cosmologies, focusing on the cosmological parameters that are independent of the Hubble parameter h. Our recovered value for the Root Mean Square (RMS) linear perturbation theory variance as measured on the scale of 12 Mpc is σ 12 = 0.805 ± 0.049, while using the traditional reference scale of 8 h –1 Mpc gives σ 8 = 0.815 ± 0.044. We quantify the agreement between our measurements and the latest cosmic microwave background data from Planck using the suspiciousness metric, and find them to be consistent within 0.64 ± 0.03σ. Combining our clustering constraints with the 3 × 2pt data sample from the Dark Energy Survey Year 1 release slightly degrades this agreement to the level of 1.54 ± 0.08σ, while still showing an overall consistency with Planck. We furthermore study the effect of imposing a Planck – like prior on the parameters that define the shape of the linear matter power spectrum, and find significantly tighter constraints on the parameters that control the evolution of density fluctuations. In particular, the combination of low-redshift data sets prefers a value of the physical dark energy density ω DE = 0.335 ± 0.011, which is 1.7σ higher than the one preferred by Planck.

79 ASTRONOMY AND ASTROPHYSICS↗

Growth modeling to evaluate alternative cultivation strategies to enhance national microalgal biomass production

In this paper, we present a model-based assessment of alternative cultivation strategies on algal biomass production within the conterminous United States. Our assessment focuses on two basic cultivation strategies: 1) seasonal rotation of three representative freshwater algal strains that are well suited for warm weather, cold weather, and all-season diverse weather conditions, respectively; and 2) variation between three open pond water depths (15cm, 20cm, and 25cm). The enhanced Biomass Assessment Tool (BAT) is applied on a site-specific, hourly basis at 5,832 North American Land Data Assimilation System Phase 2 1/8° meteorological model grid cells over a 30-year period (1980-2009) to evaluate the operational strategies. Recognizing that resource management decisions may also consider scales beyond the individual site, we also conduct a regional assessment of focused on 7 representative climate zones in the conterminous United States. Results demonstrate that the spatial variability of algal productivity is largely affected by the strain-specific growth response to light and temperature that vary significantly by climate zone and latitude. Therefore, with a limited set of alternative cultivation strategies, the BAT identified the best performing combination of cultivation strategies on a site-specific basis that considerably enhances national annual biomass productivity. Specifically, the appropriate choice of seasonal strain rotation is able to significantly dampen climate-driven seasonal and spatial variability.

59 BASIC BIOLOGICAL SCIENCES↗