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

Subjects:

Listed python codes of our algorithm with explanations (Python 3.9 recommended). by Takayuki Niizato (162226)

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

“…For a RDKit molecule, it provides (i) a PNG binary string with an image of the molecule with color-highlighted functional groups; (ii) a list of sets of atom indices (idx), each set corresponding to a functional group; (iii) a list of pseudo-SMILES canonicalized strings for the full functional groups; and (iv) a list of RDKit labeled mol objects, one for each full functional group. …”

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

“…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …”

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

“…</li></ul><p dir="ltr">The scripts rely on the following Python packages. Where available, repository links are provided:</p><ol><li><b>NumPy</b>, version 1.22.1</li><li><b>SciPy</b>, version 1.7.3</li><li><b>PyGAD</b>, version 3.0.1 — https://pygad.readthedocs.io/en/latest/#</li><li><b>bees-algorithm</b>, version 1.0.2 — https://pypi.org/project/bees-algorithm</li><li><b>KrakenOS</b>, version 1.0.0.19 — https://github.com/Garchupiter/Kraken-Optical-Simulator</li><li><b>matplotlib</b>, version 3.5.2</li></ol><p dir="ltr">All scripts are modular and organized to reflect the design stages described in the manuscript.…”

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

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

“…Two approaches, both leveraging batched dense linear algebra, are found to outperform the others across a suite of molecular benchmarks. We show that batched formation of the XC matrix from the density matrix yields the best performance for large (>O(103) basis functions), sparse systems such as glycine chains and water clusters. …”

Algorithm results based on FE simulated likelihood functions. by Nicolas Herzig (9230425)

“…(B) Bayesian iterations for nodule depth estimation with a constant stiffness <i>K</i>_<i>θ</i> = 0.68Nm. (C) KL divergence and stiffness changes across sweeps with the likelihood functions obtained by FEM simulation.…”

Workflow of the TITR algorithm. by Bradley Crone (19346873)

Conservation and functional variation across TcdB subtypes. by Michael J. Mansfield (9922934)

A) Ranking of models trained on different feature sets across all tested algorithms, sorted by their F1-score. by Jose Cleydson F. Silva (8685594)

Average quality scores of the models of the analysis set as a function of the <i>w</i>_<i>SP</i> with which the DOPE potential has been included in the objective function... by Giacomo Janson (8138517)

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. …”

Reconstruction performance across algorithms, dynamics, cell types, and recording length. by Christian Donner (3663007)

“…<b>D</b> The mean average precision score (APS, upper panel) and Matthews correlation coefficient (MCC, lower panel), estimated across all connections, obtained from all inference algorithms and the eANN across three different dynamical regimes. …”

Python scripts used to model CPU errors by Poisson distribution density mass function and to draw graph of Poisson events (needs Matplot, SciPy, PysimpleGUI and NumPy) by Santhosh Kumar Rajamani (13023678)

Maximum orientation bandwidth as a function of spatial frequency bandwidth (<i>ω</i>). by Daniel H. Baker (11559693)

Example psychometric functions for observer DHB. by Daniel H. Baker (11559693)

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. …”

Parameters of trained algorithms. by Swathi Anil (17382903)

Prediction performance of different optimization algorithms. by Ali-Kemal Aydin (10968731)

“…<p>(A) 3 algorithms were compared in terms of the residuals of the cost function of the optimized TF on 7 mice datasets (Derivative free algorithm failed in optimizing a TF in a mouse). …”