Remigijus Paulavičius

A Review of Molecular Representations in Quantum Machine Learning

This review synthesizes state-of-the-art quantum machine learning (QML) techniques for molecular modeling, focusing on strategies designed to overcome the limitations of Noisy Intermediate-Scale Quantum (NISQ) hardware. A central challenge is the encoding of high-dimensional chem...

GENDIRECT: a GENeralized DIRECT-type algorithmic framework for derivative-free global optimization

The DIRECT algorithm (DIviding RECTangles) has been a cornerstone of derivative-free global optimization for three decades, inspiring numerous enhancements and adaptations. The recent DIRECTGO toolbox consolidated over fifty of these implementations, providing users with a divers...