Particle swarm optimization (PSO) algorithm to identify parameter values of model C-fiber axons and meet performance criteria. by Brandon J. Thio (5351147)

Reverse Designing the Wavelength-Specific Thermally Activation Delayed Fluorescent Molecules Using a Genetic Algorithm Coupled with Cheap QM Methods by Xubin Wang (1861147)

“…A cheap QM method, i.e., INDO/CIS, on the basis of an xTB-optimized molecular geometry is applied to quickly calculate the fitness function. …”

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

“…From this dataset we can compute the MI between each interaction and the outcome and <b>(D)</b> obtain a ranked list (<i>I</i>_<i>δ</i>) based on this metric. <b>(E)</b> Starting from the interaction at the top of <i>I</i>_<i>δ</i>, <i>hi</i>PRS constructs <i>I</i>_<i>K</i>, selecting <i>K</i> (where <i>K</i> is user-specified) terms through the greedy optimization of the ratio between MI (<i>relevance</i>) and a suitable measure of similarity for interactions (<i>redundancy)</i> (cf. …”

A Generalized Attraction–Repulsion Potential and Revisited Fragment Library Improves PEP-FOLD Peptide Structure Prediction by Vincent Binette (12256395)

“…With their strong physical influence, the revised structural library and coarse-grained potential offer, however, the means for a deeper understanding of the nature of folding and open a solid basis for studying flexibility and other dynamical properties not accessible to IA structure prediction approaches.…”

A Generalized Attraction–Repulsion Potential and Revisited Fragment Library Improves PEP-FOLD Peptide Structure Prediction by Vincent Binette (12256395)

“…With their strong physical influence, the revised structural library and coarse-grained potential offer, however, the means for a deeper understanding of the nature of folding and open a solid basis for studying flexibility and other dynamical properties not accessible to IA structure prediction approaches.…”

Supplementary Material 8 by Nishitha R Kumar (19750617)

“…</li><li><b>XGboost: </b>An optimized gradient boosting algorithm that efficiently handles large genomic datasets, commonly used for high-accuracy predictions in <i>E. coli</i> classification.…”

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

“…Multiple SVM models were trained and evaluated, including configurations with linear and RBF (Radial Basis Function) kernels. </p><p dir="ltr">Additionally, an exhaustive hyperparameter search was performed using GridSearchCV to optimize the C, gamma, and kernel parameters (testing 'linear,' 'rbf,' 'poly,' and 'sigmoid'), aiming to find the highest-performing configuration. …”