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

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A Practical Algorithm to Solve the Near-Congruence Problem for Rigid Molecules and Clusters by José Manuel Vásquez-Pérez (12843737)

“…The algorithm is formulated as a quasi-local optimization procedure with each optimization step involving a linear assignment (LAP) and a singular value decomposition (SVD). …”

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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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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Using Variable Data-Independent Acquisition for Capillary Electrophoresis-Based Untargeted Metabolomics by Saki Kiuchi (19374255)

“…Capillary electrophoresis coupled with tandem mass spectrometry (CE-MS/MS) offers advantages in peak capacity and sensitivity for metabolic profiling owing to the electroosmotic flow-based separation. However, the utilization of data-independent MS/MS acquisition (DIA) is restricted due to the absence of an optimal procedure for analytical chemistry and its related informatics framework. …”

Using Variable Data-Independent Acquisition for Capillary Electrophoresis-Based Untargeted Metabolomics by Saki Kiuchi (19374255)

“…Capillary electrophoresis coupled with tandem mass spectrometry (CE-MS/MS) offers advantages in peak capacity and sensitivity for metabolic profiling owing to the electroosmotic flow-based separation. However, the utilization of data-independent MS/MS acquisition (DIA) is restricted due to the absence of an optimal procedure for analytical chemistry and its related informatics framework. …”

Improved support vector machine classification algorithm based on adaptive feature weight updating in the Hadoop cluster environment by Jianfang Cao (1881379)

“…<div><p>An image classification algorithm based on adaptive feature weight updating is proposed to address the low classification accuracy of the current single-feature classification algorithms and simple multifeature fusion algorithms. …”

LinearSolve.jl: because A\b is not good enough by Christopher Rackauckas (9197216)

“…What a great time for the SciML ecosystem to swoop in! This leads us to LinearSolve.jl, a common interface for linear solver libraries. …”

ECE6327_SmartGrid by Xingpeng Li (11825663)

Predictive Analysis of Mushroom Toxicity Based Exclusively on Their Natural Habitat. by Enrico Bertozzi (22461709)

“…Optimization with GridSearchCV corroborated this stagnation, identifying a simple linear model (C=0.05, gamma='scale') as the optimal configuration, indicating that the additional complexity of nonlinear kernels did not confer predictive gains. …”

Table_1_iRNA5hmC: The First Predictor to Identify RNA 5-Hydroxymethylcytosine Modifications Using Machine Learning.docx by Yuan Liu (88411)

Supporting data for "clinical-oriented surgical planning based on finite element method and automate-generated surgical templates assisting the spinal surgery" by Tianchi Wu (11062323)

“…The offset algorithm was developed with normal vector of vertices and iterative bisection, outputting a solid layer of elements based on input triangle mesh and was validated against non-linear surface in vertebra body. …”

hIPPYlib: An Extensible Software Framework for Large-scale Inverse Problems by Olalekan A. Babaniyi (767286)

“…This Gaussian approximation is exact when the parameter-to-observable map is linear; otherwise it can serve as a proposal for Hessian-based MCMC methods. …”

Collaborative Research: SI2-SSI: ELSI-Infrastructure for Scalable Electronic Structure Theory by Volker Blum (3683170)

“…The ELectronic Structure Infrastructure (ELSI) project provides an open-source software interface to facilitate the implementation and optimal use of high-performance solver libraries covering cubic scaling eigensolvers, linear scaling density-matrix-based algorithms, and other reduced scaling methods in between. …”

Collaborative Research: SI2-SSI: ELSI - Infrastructure for Scalable Electronic Structure Theory by Volker Blum (3683170)

“…The ELectronic Structure Infrastructure (ELSI) project provides an open-source software interface to facilitate the implementation and optimal use of high-performance solver libraries covering cubic scaling eigensolvers, linear scaling density-matrix-based algorithms, and other reduced scaling methods in between. …”