If datasets are small and/or noisy, linear-regression-based algorithms for identifying functional groups outperform more complex versions. by Yuanchen Zhao (12905580)

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Summary of results of naïve Bayes algorithms. by Christopher E. Niemczak (8586861)

“…Algorithms trained without auditory variables as features were statistically worse (p < .001) in both the primary measure of area under the curve (0.82/0.78) and the secondary measure of accuracy (72.3%/74.5%) for the Gaussian and kernel algorithms respectively.…”

Linear-regression-based algorithms succeed at identifying the correct functional groups in synthetic data, and multi-group algorithms recover more information. by Yuanchen Zhao (12905580)

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Functional effect prediction of FUS mutations by ten nsSNP prediction algorithms. by L. F. S. Bonet (11502082)

Attack and defense behaviors with the sensory–motor algorithm between a single predator and a single prey. by Hiroyuki Ichijo (13891153)

The image of the Aekley function. by Zhengyu Xu (8550660)

Filled contour plot based on histograms of the occurence-frequency of binned values of and as a function of . by Paul Kinsler (3975620)

The ALO algorithm optimization flowchart. by Wenjing Wang (181404)

“…The required number of iterations was significantly better than other algorithms. In the verification of solving economic load dispatch, the improved ant-lion optimizer achieved a total fuel cost reduction of 0.10% -2.39% and 6% in both 3-unit and 6-unit simulations, respectively, compared to the other three algorithms. …”

The IALO algorithm solution flowchart. by Wenjing Wang (181404)

“…The required number of iterations was significantly better than other algorithms. In the verification of solving economic load dispatch, the improved ant-lion optimizer achieved a total fuel cost reduction of 0.10% -2.39% and 6% in both 3-unit and 6-unit simulations, respectively, compared to the other three algorithms. …”

Heat maps of mean scores over 50 datasets of the algorithms as a function of relative noise and number of samples. by Yuanchen Zhao (12905580)

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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

“…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”

A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases by Maru Song (22593561)

“…<i>Quantum Anamorphosis</i> addresses this challenge through physically motivated localization of molecular orbitals and site reordering, which yield unique block-diagonal Hamiltonian matrices and compact spin-adapted many-body wave functions. In this work, we introduce a genetic algorithm to identify optimal orbital/site orderings that enhance wave function compactness, thereby enabling the study of larger systems than previously possible. …”

Comparison of deconvolution and optimization algorithms on a batch of data. by Ali-Kemal Aydin (10968731)

“…Both experimental data have been resampled at 50ms and used to compute a set of TFs (in orange) either with direct deconvolution approaches (Fourier or Toeplitz methods, middle-upper panel TFs) or with 1-Γ function optimization performed by 3 different algorithms (middle-lower panel TFs). …”

Filled contour plot based on histograms of the occurence-frequency of binned values of and as a function of rate ratio . by Paul Kinsler (3975620)

Continuous Probability Distributions generated by the PIPE Algorithm by LUIS G.B. PINHO (14073372)

“…<div><p>Abstract We investigate the use of the Probabilistic Incremental Programming Evolution (PIPE) algorithm as a tool to construct continuous cumulative distribution functions to model given data sets. …”

Flexible CDOCKER: Hybrid Searching Algorithm and Scoring Function with Side Chain Conformational Entropy by Yujin Wu (2901128)

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Flexible CDOCKER: Hybrid Searching Algorithm and Scoring Function with Side Chain Conformational Entropy by Yujin Wu (2901128)

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Coarse-fine optimization algorithm. by Chao Ma (207385)

“…The improved gradient extraction method combines the Scale Invariant Feature Transformation (SIFT) algorithm to form a new multi-scale image sharpness evaluation function, SIFT Quad-Tenen. …”

Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional by Ryan Stocks (16867476)

“…Kohn–Sham density functional theory (KS-DFT) has become a cornerstone for studying the electronic structure of molecules and materials. …”

Bioinformatic Analysis Reveals both Oversampled and Underexplored Biosynthetic Diversity in Nonribosomal Peptides by Bo-Siyuan Jian (14669996)

“…In contrast, the benzoyl BB, including 2,3-dihydroxybenzoate (DHB), has been the most underexplored, hinting at the possibility of a reservoir of as yet unknown DHB containing NRPs with functional roles other than a siderophore. …”