Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional حسب Ryan Stocks (16867476)

"…In this work, we present a comparative study of four GPU-accelerated algorithms for evaluating the KS-DFT exchange–correlation (XC) potential with an atom-centered Gaussian basis. …"

The image of the Aekley function. حسب Zhengyu Xu (8550660)

A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases حسب Maru Song (22593561)

"…The P-cluster test case is particularly relevant, as it demonstrates that wave function compression can be applied to both collinear ground and excited states, and allows the selective targeting of electronic states expressible in the given basis.…"

Optimum feature set for classification using both core and margin information utilizing GLCM, GRLM, and GLSZM texture methods and SVM-RBF classification algorithm. حسب Laurentius O. Osapoetra (9931759)

EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit حسب Gonzalo Colmenarejo (650249)

"…Ertl’s algorithm is an approach to extract functional groups in arbitrary organic molecules that does not depend on predefined libraries of functional groups. …"

Spatial patterns of the CAPs estimated from both splits are reproducible and strongly correlated with at least one of the basis CAPs. حسب Kangjoo Lee (11648345)

Acc epoch loss curve of IPCA algorithm. حسب Lu Lin (201289)

Variations of loss functions versus epoch number. حسب Xueliang Guo (4797057)

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... حسب Joonho Lee (1351974)

"…In this work, we developed and showcased the occ-RI-K algorithm to compute the exact exchange contribution in density functional calculations of solids near the basis set limit. …"

Analytic Gradients for Density Fitting MP2 Using Natural Auxiliary Functions حسب Klára Petrov (19251734)

"…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. …"

Locally sparse function-on-function regression حسب Mauro Bernardi (418110)

"…Herein, we consider the case where both the response and covariates are functions. There are two available approaches for addressing such a situation: concurrent and nonconcurrent functional models. …"

Computer Model Emulation with High-Dimensional Functional Output in Large-Scale Observing System Uncertainty Experiments حسب Pulong Ma (6105767)

"…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. …"

Fig 7 - حسب Susana Conde (5495675)

Deep Learning-Based Multi-Scale Bubble Detection and Feature Analysis حسب Lichun Bai (6684683)

"…The spatial and channel reconstruction convolution (SCConv) module is integrated in the neck network of the model to reduce feature redundancy in both the channel and spatial dimensions. The efficient complete intersection over union (EfficiCIoU) loss function is adopted to finely adjust the bounding boxes, enhancing the detection capability for multiscale bubbles. …"

Comparison of scores obtained by our interpenetration and scoring algorithm (ISA) and ROSETTA for a subset of structures. حسب Kevin Sawade (16726527)

"…However, our algorithm was 1000 times faster than pyROSETTA (both algorithms have been parallelized on a per-structure basis using the Python package joblib [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1010531#pcbi.1010531.ref069" target="_blank">69</a>]).…"

A hypothetical example illustrating the differences between the two assessment modes in G4SNVHunter. حسب Rongxin Zhang (1618159)

S1 Dataset - حسب Qianwei Deng (19353264)

"…This identified threshold is then applied to the focus search strategy employing the radial basis function (RBF) algorithm. Furthermore, an intelligent focusing system has been developed on the Zynq development platform, encompassing both hardware design and software program development. …"

Overall system design. حسب Qianwei Deng (19353264)

"…This identified threshold is then applied to the focus search strategy employing the radial basis function (RBF) algorithm. Furthermore, an intelligent focusing system has been developed on the Zynq development platform, encompassing both hardware design and software program development. …"

Comparison of focusing effect. حسب Qianwei Deng (19353264)

"…This identified threshold is then applied to the focus search strategy employing the radial basis function (RBF) algorithm. Furthermore, an intelligent focusing system has been developed on the Zynq development platform, encompassing both hardware design and software program development. …"

Hardware structure. حسب Qianwei Deng (19353264)

"…This identified threshold is then applied to the focus search strategy employing the radial basis function (RBF) algorithm. Furthermore, an intelligent focusing system has been developed on the Zynq development platform, encompassing both hardware design and software program development. …"