Python-based Monte Carlo Simulation Tool by Yangfan Jiang (9372782)

Cost functions implemented in Neuroptimus. by Máté Mohácsi (20469514)

The PS of ten comparative algorithms on the MMF14a Test Function. by Wenxing Wu (16853002)

“…<p>The PS of ten comparative algorithms on the MMF14a Test Function.</p>…”

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. …”

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

“…A Python-based algorithm was developed for estimating the nonrandom two-liquid (NRTL) model parameters of aqueous binary systems in a straightforward manner from simplified molecular-input line-entry specification (SMILES) strings of substances in a system. …”

Search Algorithms and Loss Functions for Bayesian Clustering by David B. Dahl (11761055)

“…<p>We propose a randomized greedy search algorithm to find a point estimate for a random partition based on a loss function and posterior Monte Carlo samples. …”

<b>Opti2Phase</b>: Python scripts for two-stage focal reducer by Morgan Najera (21540776)

“…</p><p dir="ltr">The package includes:</p><ul><li>Scripts for first-order analysis, third-order modeling, optimization using a Physically Grounded Merit Function (PGMF), and RMS-based refinement.…”

FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz by Faizan Ali (21689861)

Subjects:

Greedy optimization algorithm. by Alexis Bénichou (19832361)

Schematic diagram of the TEAPS algorithm. by Yoshiaki Kariya (13767985)

The repair algorithm restores the electrophysiological behaviour of cut and repaired mouse pyramidal cells and allows for better predictions of neuronal function in human neurons. by Moritz Groden (18018276)

A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data by Anthony S. Barente (14035175)

Subjects:

Efficient algorithms to discover alterations with complementary functional association in cancer by Rebecca Sarto Basso (6728921)

“…We provide analytic evidence of the effectiveness of UNCOVER in finding high-quality solutions and show experimentally that UNCOVER finds sets of alterations significantly associated with functional targets in a variety of scenarios. In particular, we show that our algorithms find sets which are better than the ones obtained by the state-of-the-art method, even when sets are evaluated using the statistical score employed by the latter. …”

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. …”

Feature selection algorithm. by Mahmoud Zeydabadinezhad (12289570)

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An expectation-maximization algorithm for finding noninvadable stationary states. by Robert Marsland (8616483)

“…<i>(b)</i> Metabolic byproducts move the relevant unperturbed state from <b>R</b>⁰ (gray ‘x’) to (black ‘x’), which is itself a function of the current environmental conditions. …”

Verification of the in-line PS function. by Raul Castañeda (13932971)

An Algorithmic Approach Based on Data Trees and Genetic Algorithms to Understanding Charged and Neutral Metal Nanocluster Growth by Chelsea M. Mueller (8351745)

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Improved Ant Colony Algorithm by AOBEI ZHANG (17657703)

“…To achieve this, we integrate the hyperbolic tangent function, fine-tuning the ACO algorithm's behavior to adaptively adjust its search strategy across iterations.(2) Recognizing the tendency of heuristic algorithms to converge prematurely into local optima, we devise a max-min ant colony strategy. …”

Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements by Pascal Wang (10130612)

“…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …”