Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids with Pseudopotentials Near the Basis Se... by Joonho Lee (1351974)

Subjects:

Comparison of algorithms in two cases. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

Flow of the NSGA-II algorithm. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

“…The “ADT” program can be efficiently used to (a) formulate analytic functional forms of differential equations for ADT angles and diabatic potential energy matrix and (b) solve the set of coupled differential equations numerically to evaluate ADT angles, residue due to singularity­(ies), ADT matrices, and finally, diabatic potential energy surfaces (PESs). …”

A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data by Anthony S. Barente (14035175)

Subjects:

Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements by Pascal Wang (10130612)

“…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …”

BOFdat: Generating biomass objective functions for genome-scale metabolic models from experimental data by Jean-Christophe Lachance (6619307)

“…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. …”

Fig 2. Estimated correlation coefficient values of the following algorithms for A) Yield, B) NP, C) NRNP, D) RNP, and E) PP using full SNP (Full-) and haplotype block (Haplotype-) dataset. Ensemble-Bagging (E-B), Radial basis function (RBF), Random forest (RF), Support vector regression (SVR), Ridge regression best linear unbiased prediction (rrBLUP). by Mohsen Yoosefzadeh Najafabadi (11950262)

“…Ensemble-Bagging (E-B), Radial basis function (RBF), Random forest (RF), Support vector regression (SVR), Ridge regression best linear unbiased prediction (rrBLUP).…”

Fig 3. Estimated coefficient of determination (R2) value of the tested algorithms for A) Yield, B) NP, C) NRNP, D) RNP, and E) PP using haplotype block (Haplotype-) dataset. Ensemble-Bagging (E-B), Radial basis function (RBF), Random forest (RF), Support vector regression (SVR), Ridge regression best linear unbiased prediction (rrBLUP). by Mohsen Yoosefzadeh Najafabadi (11950262)

“…Ensemble-Bagging (E-B), Radial basis function (RBF), Random forest (RF), Support vector regression (SVR), Ridge regression best linear unbiased prediction (rrBLUP).…”

Reflection matrix microscopy data and CLASS algorithms by Sungsam Kang (18931031)

“…<h3><b>Reflection matrix microscopy data and CLASS algorithms</b></h3><p dir="ltr">This software package includes essential algorithms for reflection matrix microscope (RMM) and the CLASS algorithm. …”

The optimal solution set of NYN by using different algorithms. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

The optimal solution set of HN by using different algorithms. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

Search Algorithms and Loss Functions for Bayesian Clustering by David B. Dahl (11761055)

Types of training algorithms. by Caixia Yan (6647072)

Convergence curves of various algorithms under test functions. by Jiayuan Wang (3765376)

Convergence curves of various algorithms under test functions. by Jiayuan Wang (3765376)

The convergence curve of each optimization algorithm under the test function. by Hao Yang (328526)

Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller–Plesset Perturbat... by Joonho Lee (1351974)

Subjects:

Convergence curves of the voltage profile improvement by using (a) the HFPSO algorithm and (b) the PSO algorithm. by Abdullah Khan (377292)

Convergence curves of voltage stability enhancement based on (a) the HFPSO algorithm and (b) the PSO algorithm. by Abdullah Khan (377292)