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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
algorithm basis » algorithm based (Expand Search), algorithms based (Expand Search), algorithm ai (Expand Search)
basis functions » basis function (Expand Search), loss functions (Expand Search), based functional (Expand Search)
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cep function » cell function (Expand Search), step function (Expand Search), t4p function (Expand Search)
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Computer Model Emulation with High-Dimensional Functional Output in Large-Scale Observing System Uncertainty Experiments
Published 2021“…Within each distinct spectral band, the emulator represents radiance output at irregular wavelengths as a linear combination of basis functions and random coefficients. These random coefficients are then modeled with nearest-neighbor Gaussian processes with built-in input dimension reduction via active subspace. …”
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168
New-Generation Electron-Propagator Methods for Calculations of Electron Affinities and Ionization Energies: Tests on Organic Photovoltaic Molecules
Published 2023Subjects: “…quintically scaling algorithms…”
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169
New-Generation Electron-Propagator Methods for Calculations of Electron Affinities and Ionization Energies: Tests on Organic Photovoltaic Molecules
Published 2023Subjects: “…quintically scaling algorithms…”
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170
New-Generation Electron-Propagator Methods for Calculations of Electron Affinities and Ionization Energies: Tests on Organic Photovoltaic Molecules
Published 2023Subjects: “…quintically scaling algorithms…”
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New-Generation Electron-Propagator Methods for Calculations of Electron Affinities and Ionization Energies: Tests on Organic Photovoltaic Molecules
Published 2023Subjects: “…quintically scaling algorithms…”
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BOFdat: Generating biomass objective functions for genome-scale metabolic models from experimental data
Published 2019“…Despite its importance, no standardized computational platform is currently available to generate species-specific biomass objective functions in a data-driven, unbiased fashion. To fill this gap in the metabolic modeling software ecosystem, we implemented BOFdat, a Python package for the definition of a <b>B</b>iomass <b>O</b>bjective <b>F</b>unction from experimental <b>dat</b>a. …”
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175
A Multi-Resolution Approximation for Massive Spatial Datasets
Published 2021“…The basis functions are automatically chosen to approximate a given covariance function, which can be nonstationary. …”
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176
Python code for a rule-based NLP model for mapping circular economy indicators to SDGs
Published 2025“…The package includes:</p><ul><li>The complete Python codebase implementing the classification algorithm</li><li>A detailed manual outlining model features, requirements, and usage instructions</li><li>Sample input CSV files and corresponding processed output files to demonstrate functionality</li><li>Keyword dictionaries for all 17 SDGs, distinguishing strong and weak matches</li></ul><p dir="ltr">These materials enable full reproducibility of the study, facilitate adaptation for related research, and offer transparency in the methodological framework.…”
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177
Analytic Gradients for Density Fitting MP2 Using Natural Auxiliary Functions
Published 2024“…The natural auxiliary function (NAF) approach is an approximation to decrease the size of the auxiliary basis set required for quantum chemical calculations utilizing the density fitting technique. …”
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178
Even Faster Exact Exchange for Solids via Tensor Hypercontraction
Published 2023“…We perform illustrative hybrid density function theory calculations on the benzene crystal in the basis set and thermodynamic limits to highlight the utility of this algorithm.…”
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179
Even Faster Exact Exchange for Solids via Tensor Hypercontraction
Published 2023“…We perform illustrative hybrid density function theory calculations on the benzene crystal in the basis set and thermodynamic limits to highlight the utility of this algorithm.…”
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180
Discovery of Protein Modifications Using Differential Tandem Mass Spectrometry Proteomics
Published 2021“…Termed SAMPEI for spectral alignment-based modified peptide identification, this open-source algorithm is designed for the discovery of functional protein and peptide signaling modifications, without prior knowledge of their identities. …”