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. …”

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.…”

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. …”