α-Functions Piecewise-linear Approximation from Noisy and Hermite Data

M Alexa - ACM SIGGRAPH 2022 Conference Proceedings, 2022 - dl.acm.org
We introduce α-functions, providing piecewise linear approximation to given data as the
difference of two convex functions. The parameter α controls the shape of a paraboloid that …

: CH emistry A ware C onvex H ull A utoencoder Towards Inverse Molecular Design

MS Ghaemi, H Hu, A Hu, HK Ooi - German Conference on Artificial …, 2023 - Springer
Optimizing molecular design and discovering novel chemical structures to meet specific
objectives, such as quantitative estimates of the drug-likeness score (QEDs), is NP-hard due …

CHA2: CHemistry Aware Convex Hull Autoencoder Towards Inverse Molecular Design

MS Ghaemi, H Hu, A Hu, HK Ooi - arxiv preprint arxiv:2302.11000, 2023 - arxiv.org
Optimizing molecular design and discovering novel chemical structures to meet certain
objectives, such as quantitative estimates of the drug-likeness score (QEDs), is NP-hard due …

Doubly random polytopes

A Newman - Random Structures & Algorithms, 2022 - Wiley Online Library
A two‐step model for generating random polytopes is considered. For parameters d, m, and
p, the first step is to generate a simple polytope P whose facets are given by m uniform …

[PDF][PDF] ALICE III—Autonomes Lernen in Komplexen Umgebungen III

A von Beuningen, V Brandstetter, P von Bünau… - 2022 - edocs.tib.eu
Die ursprüngliche Motivation für das Projektvorhaben ALICE-III bestand in der Erforschung
und Erprobung einer vielschichtigen, engen Verzahnung von physikalisch-numerischen …