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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
algorithm wave » algorithm based (Expand Search), algorithm where (Expand Search), algorithm a (Expand Search)
wave function » rate function (Expand Search), a function (Expand Search), gene function (Expand Search)
algorithm l » algorithm cl (Expand Search), algorithm _ (Expand Search), algorithm b (Expand Search)
l function » _ function (Expand Search), a function (Expand Search), 1 function (Expand Search)
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State Preparation in Quantum Algorithms for Fragment-Based Quantum Chemistry
Published 2024“…The localized active space–unitary coupled cluster (LAS–UCC) algorithm iteratively loads a fragment-based multireference wave function onto a quantum computer. …”
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Swarm intelligence algorithms for multi-objective max-min-ISP
Published 2023“…<p>Algorithms implemented on article "<strong>On the max-min influence spread problem: A multi-objective optimization approach</strong>"</p> <p><br></p> <p>usage: Main.py [-h] [-a] [-r] [-d D] [-t T] [-i I] [-q Q] [--shape SHAPE] [--sym] [--folder FOLDER] [--seed SEED] [--spread SPREAD] [--sum SUM] [--mh MH] [--tagsfile TAGSFILE] [--notags] [--prune] [--prunelowdeg] [--excludenodes EXCLUDENODES] [--includeindegzero] [--nodepthcriteria] [--memfile MEMFILE] file</p> <p><br></p> <p>Calculates the best Influence Spread set on a Weighted Graph using PSO</p> <p><br></p> <p>positional arguments:</p> <p>file</p> <p><br></p> <p>options:</p> <p>-h, --help: show this help message and exit</p> <p>-a: read file input contents as an Adjacency Matrix</p> <p>-r: reverse nodes order, reads (b,a,w) instead of (a,b,w)</p> <p>-d D: line separator to use on file parsing</p> <p>-t T: number of times to execute this solver</p> <p>-i I: number of metaheuristic iterations per execution</p> <p>-q Q: fixed quota, use 0 = floor(n/2)+1</p> <p>--shape SHAPE: shape functions for binarization - list of implemented shape functions: s2, s2_neg, v2, v4</p> <p>--sym: consider graph as symmetric instead of directed</p> <p>--folder FOLDER: output folder</p> <p>--seed SEED: use custom seeds for metaheuristic pseudo RNG</p> <p>--spread SPREAD: use specific influence spread model funcion - list of implemented models: LT, IC</p> <p>--sum SUM: adds an extra value to all edge's weight</p> <p>--mh MH: metaheuristic to use - list of implemented metaheuristics: 1 (Swarm3), 3 (Swarm3_W), 4 (Swarm3_L), 5 (Swarm4)</p> <p>--tagsfile TAGSFILE: use first row as node tags instead of using plurality criteria</p> <p>--notags: do not use first row as node tags, instead tags will be calculated</p> <p>--prune: nodes with (1) outdegree = 0 and indegree > 0, and (2) with outdegree = 1 and neighbor's outdegree > 0 will be excluded</p> <p>--prunelowdeg: nodes with low outdegree or degree will be excluded</p> <p>--excludenodes EXCLUDENODES: nodes to skip, must be comma separated</p> <p>--includeindegzero: forces to include nodes with indegree = 0 on all executions</p> <p>--nodepthcriteria: particles will not tie off with spread depth in case of having same fitness and spread</p> <p>--memfile MEMFILE: memory dump of other execution</p>…”
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Active Learning Configuration Interaction for Excited-State Calculations of Polycyclic Aromatic Hydrocarbons
Published 2021“…These ALCI wave functions are promising and affordable starting points for the subsequent second-order perturbation theory or pair-density functional theory calculations.…”
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PyNoetic’s online mode in action. Data is streamed from an Emotiv EPOC headset.
Published 2025Subjects: -
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Illustration of PyNoetic’s 2D and 3D simulation module with visual feedback.
Published 2025Subjects: -
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