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algorithms basis » algorithms based (Expand Search), algorithm based (Expand Search), algorithms less (Expand Search)
algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
basis function » loss function (Expand Search), brain function (Expand Search), barrier function (Expand Search)
algorithm cep » algorithm cl (Expand Search), algorithm co (Expand Search), algorithm seu (Expand Search)
cep function » cell function (Expand Search), step function (Expand Search), t4p function (Expand Search)
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Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications
Published 2023“…This enables the accurate modeling of large systems with complex electronic structures, as illustrated on open-shell organic radicals and transition-metal complexes of up to 179 atoms as well as on challenging biochemical systems, including up to 601 atoms and 11,000 basis functions. While the protein models involve difficulties for local approximations, such as the spin states of a bounded iron ion or an extremely delocalized singly occupied orbital, the corresponding single-node LNO-CCSD(T) computations were feasible in a matter of days with 10s to 100 GB of memory use. …”
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Explained variance ration of the PCA algorithm.
Published 2025“…<div><p>Chest X-ray image classification plays an important role in medical diagnostics. Machine learning algorithms enhanced the performance of these classification algorithms by introducing advance techniques. …”
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