Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in Solution by Thomas J. Summers (8097533)

“…To accelerate the characterization of lanthanide structures in solution, we employed the Northwest Potential Energy Surface Search Engine (NWPEsSe), an adaptive-learning global optimization algorithm, to efficiently screen first-shell structures. …”

Reproducing kernel-based semiparametric functional smoothed score estimation with binary responses by Meichen Liu (8168148)

Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential by Fengyang Han (14613218)

Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential by Fengyang Han (14613218)

Calibration curves for the test set of four models. by Meng Cao (105914)

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SHAP bar plot. by Meng Cao (105914)

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ROC curves for the test set of four models. by Meng Cao (105914)

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Display of the web prediction interface. by Meng Cao (105914)

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Sample screening flowchart. by Meng Cao (105914)

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Descriptive statistics for variables. by Meng Cao (105914)

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SHAP summary plot. by Meng Cao (105914)

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Performance metrics of the models on the training and test set. by Meng Cao (105914)

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<i>hi</i>PRS algorithm process flow. by Michela C. Massi (14599915)

Random forest model performs better than support vector machine algorithms and when it primarily uses spontaneous photopic ERG of 60-s duration in humans. by Ramsés Noguez Imm (6658637)

Multicategory Angle-Based Learning for Estimating Optimal Dynamic Treatment Regimes With Censored Data by Fei Xue (24567)

“…In this article, we develop a novel angle-based approach to search the optimal DTR under a multicategory treatment framework for survival data. …”

Image1_Applying the Hubbard-Stratonovich Transformation to Solve Scheduling Problems Under Inequality Constraints With Quantum Annealing.TIF by Sizhuo Yu (11429743)

Image3_Applying the Hubbard-Stratonovich Transformation to Solve Scheduling Problems Under Inequality Constraints With Quantum Annealing.TIF by Sizhuo Yu (11429743)

Image2_Applying the Hubbard-Stratonovich Transformation to Solve Scheduling Problems Under Inequality Constraints With Quantum Annealing.TIF by Sizhuo Yu (11429743)

DataSheet1_Applying the Hubbard-Stratonovich Transformation to Solve Scheduling Problems Under Inequality Constraints With Quantum Annealing.pdf by Sizhuo Yu (11429743)

Spontaneous ERG-based random forest model discriminates control and disease cases in rodent models of obesity and type 1 diabetes and predicts disease evolution in the type 1 diabe... by Ramsés Noguez Imm (6658637)