Search alternatives:
derived optimization » driven optimization (Expand Search), required optimization (Expand Search), design optimization (Expand Search)
labels derived » lines derived (Expand Search)
binary labels » trinary labels (Expand Search)
binary als » binary values (Expand Search), binary pairs (Expand Search)
als global » yale global (Expand Search), a global (Expand Search), vs global (Expand Search)
derived optimization » driven optimization (Expand Search), required optimization (Expand Search), design optimization (Expand Search)
labels derived » lines derived (Expand Search)
binary labels » trinary labels (Expand Search)
binary als » binary values (Expand Search), binary pairs (Expand Search)
als global » yale global (Expand Search), a global (Expand Search), vs global (Expand Search)
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Data_Sheet_1_A Global Optimizer for Nanoclusters.PDF
Published 2019“…<p>We have developed an algorithm to automatically build the global minimum and other low-energy minima of nanoclusters. …”
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Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction
Published 2020“…We emphasize that the proposed AL algorithm can be easily generalized to search for any binary metal oxide structure with a defined stoichiometry.…”
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Machine Learning-Ready Dataset for Cytotoxicity Prediction of Metal Oxide Nanoparticles
Published 2025“…</p><p dir="ltr">Encoding: Categorical variables such as surface coating and cell type were grouped into logical classes and label-encoded to enable model compatibility.</p><p dir="ltr"><b>Applications and Model Compatibility:</b></p><p dir="ltr">The dataset is optimized for use in supervised learning workflows and has been tested with algorithms such as:</p><p dir="ltr">Gradient Boosting Machines (GBM),</p><p dir="ltr">Support Vector Machines (SVM-RBF),</p><p dir="ltr">Random Forests, and</p><p dir="ltr">Principal Component Analysis (PCA) for feature reduction.…”