Showing 1 - 20 results of 142 for search '(( library from _ optimization algorithm ) OR ( binary data driven optimization algorithm ))', query time: 0.48s Refine Results
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    ReaLigands: A Ligand Library Cultivated from Experiment and Intended for Molecular Computational Catalyst Design by Shu-Sen Chen (1777108)

    Published 2023
    “…Individual ligands from mononuclear crystal structures were identified using a modified depth-first search algorithm and charge was assigned using a machine learning model based on quantum-chemical calculated features. …”
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    Event-driven data flow processing. by Yixian Wen (12201388)

    Published 2025
    “…Subsequently, we implement an optimal binary tree decision-making algorithm, grounded in dynamic programming, to achieve precise allocation of elastic resources within data streams, significantly bolstering resource utilization. …”
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    Reverse Designing the Wavelength-Specific Thermally Activation Delayed Fluorescent Molecules Using a Genetic Algorithm Coupled with Cheap QM Methods by Xubin Wang (1861147)

    Published 2023
    “…Genetic algorithm (GA) optimization coupled with the semiempirical intermediate neglect of differential overlap (INDO)/CIS method is presented to inversely design the red thermally activation delayed fluorescent (TADF) molecules. …”
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    Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start by Yifan Wang (380120)

    Published 2025
    “…CAMD often generates and evaluates molecular structures using genetic algorithms. However, genetic algorithms can suffer from slow convergence, and might yield suboptimal solutions. …”
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    Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start by Yifan Wang (380120)

    Published 2025
    “…CAMD often generates and evaluates molecular structures using genetic algorithms. However, genetic algorithms can suffer from slow convergence, and might yield suboptimal solutions. …”
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    Flowchart depicting the optimal control framework. by Antoine Falisse (6061601)

    Published 2019
    “…<p>We developed two approaches (AD-ADOLC and AD-Recorder) to make an OpenSim function <i>F</i> and its forward (<i>F fwd</i>) and reverse (<i>F rev</i>) directional derivatives available within the CasADi environment for use by the NLP solver during the optimization. In the AD-ADOLC approach (top), ADOL-C’s algorithms are used in a C++ code to provide <i>F fwd</i> and <i>F rev</i>. …”
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    Flat optimization method. by Nisha Ann Viswan (20371285)

    Published 2024
    “…B: Barchart of costs for the four different models, comparing the initial cost with the final cost obtained using three different algorithms (BFGS, COBYLA, SLSQP) from the scipy.minimize library. …”
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    Flow diagram of the proposed model. by Uğur Ejder (22683228)

    Published 2025
    “…<div><p>Machine learning models are increasingly applied to assisted reproductive technologies (ART), yet most studies rely on conventional algorithms with limited optimization. This proof-of-concept study investigates whether a hybrid Logistic Regression–Artificial Bee Colony (LR–ABC) framework can enhance predictive performance in in vitro fertilization (IVF) outcomes while producing interpretable, hypothesis-driven associations with nutritional and pharmaceutical supplement use. …”
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    Hierarchical Optimization on large models. by Nisha Ann Viswan (20371285)

    Published 2024
    “…With this the entire optimization is complete. B: Barchart of costs for the four different models, comparing the initial cost with the final cost obtained using three different algorithms from the scipy.minimize library. …”
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