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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search)
algorithm both » algorithm blood (Expand Search), algorithm b (Expand Search), algorithm etc (Expand Search)
both function » body function (Expand Search), growth function (Expand Search), beach function (Expand Search)
algorithm a » algorithm _ (Expand Search), algorithm b (Expand Search), algorithms _ (Expand Search)
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Cobalt-Complexed Acetylenic Tetrads, a Molecular Scaffold for Quadruple Ionic Functionalization Reactions
Published 2024“…A synthetic algorithm included the entry of a given nucleophile to both termini of the acetylenic tetrad <b>A</b> (α-Nu<sup>1</sup>-α′-Nu<sup>1</sup>; α-Nu<sup>2</sup>-α′-Nu<sup>2</sup>), or a pair of select nucleophiles arranged unsymmetrically in opposing sequences (α-Nu<sup>1</sup>-α′-Nu<sup>2</sup>; α-Nu<sup>2</sup>-α′-Nu<sup>1</sup>). …”
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Predictive Mixing for Density Functional Theory (and Other Fixed-Point Problems)
Published 2021“…Density functional theory calculations use a significant fraction of current supercomputing time. …”
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MEDOC: A Fast, Scalable, and Mathematically Exact Algorithm for the Site-Specific Prediction of the Protonation Degree in Large Disordered Proteins
Published 2025“…While it is often convenient to assume that these residues follow their model-compound p<i>K</i><sub>a</sub> values, recent work has shown that local charge effects (charge regulation) can upshift or downshift side chain p<i>K</i><sub>a</sub> values with major consequences for molecular function. …”
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As for Fig 2, we present failure rates as a function of the cohort size (vertical axis) versus the number of distractors (horizontal axis), for the Smyth and McClave baseline algorithm from [76].
Published 2020“…<p>We explore the behaviour of the baseline algorithm both in terms of whether it can recover maximally diverse cohorts (upper four panels), and whether it can recover imbalanced cohorts. …”
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The run time for each algorithm in seconds.
Published 2025“…<div><p>In this paper, we study a class of non-parametric regression models for predicting graph signals as a function of explanatory variables . …”
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Flowchart of simple ant colony algorithm.
Published 2025“…This algorithm provides both a primary routing path and an alternate routing path for service transmission, ensuring the delivery of high-priority services even when both the primary and standby paths are unavailable. …”
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Analytic Gradients for Density Fitting MP2 Using Natural Auxiliary Functions
Published 2024“…Here, for the first time, we discuss the theory of analytic derivatives for correlation methods employing the NAF approximation on the example of MP2. A detailed algorithm for the gradient calculation with the NAF approximation is proposed in the framework of the method of Lagrange multipliers. …”
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(a) Radar chart of these algorithms (23 Benchmark functions), (b) The sorting diagram of these algorithms (23 Benchmark functions).
Published 2025“…<p>(a) Radar chart of these algorithms (23 Benchmark functions), (b) The sorting diagram of these algorithms (23 Benchmark functions).…”
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Bayesian-frequentist Hybrid Inference in Applications with Small Sample Sizes
Published 2022“…However, except for few special cases in existing literature, the computation under the hybrid model is generally non-trivial or even unsolvable. This paper develops a computation algorithm for hybrid inference under any general loss functions. …”
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Fitness function curve at weight factor 0.3.
Published 2024“…Therefore, it has been widely solved using effective meta-heuristics. The paper introduces a novel meta-heuristic strategy that utilizes the Genetic Algorithm (GA) and the Technique of Order Preference Similarity to the Ideal Solution (TOPSIS) to identify the most favorable solution for both flexible CF and machine layout within each cell. …”
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