Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal calls to oracles (computational property predictors). This problem becomes more apparen ...
We introduce an algorithm to reconstruct a mesh from discrete samples of a shape's Signed Distance Function (SDF). A simple geometric reinterpretation of the SDF lets us formulate the problem through a point cloud, from which a surface can be extracted wit ...
Quantum support vector machines employ quantum circuits to define the kernel function. It has been shown that this approach offers a provable exponential speedup compared to any known classical algorithm for certain data sets. The training of such models c ...
Verein Forderung Open Access Publizierens Quantenwissenschaf2024
Static and mobile sensor nodes can be employed in gas monitoring tasks to detect gas leaks in an early stage and localize gas sources. Due to the intermittent nature of gas plumes and the slow dynamics of commonly used gas sensors, measuring gas concentrat ...
Quantum computing not only holds the potential to solve long-standing problems in quantum physics, but also to offer speed-ups across a broad spectrum of other fields. Access to a computational space that incorporates quantum effects, such as superposition ...
The problem of learning graphons has attracted considerable attention across several scientific communities, with significant progress over the re-cent years in sparser regimes. Yet, the current techniques still require diverg-ing degrees in order to succe ...
Under certain conditions, the ionization of a molecule may create a superposition of electronic states, leading to ultrafast electron dynamics. If controlled, this motion could be used in attochemistry applications, but it has been shown that the decoheren ...
Measuring the size of cellulose nanomaterials can be challenging, especially in the case of branched and entangled cellulose nanofibrils (CNFs). The International Organization for Standardization, Technical Committee 6, Task Group 1-Cellulosic Nanomaterial ...
Non-convex constrained optimization problems have become a powerful framework for modeling a wide range of machine learning problems, with applications in k-means clustering, large- scale semidefinite programs (SDPs), and various other tasks. As the perfor ...
Context. A novel high-performance exact pair-counting toolkit called fast correlation function calculator (FCFC) is presented.Aims. With the rapid growth of modern cosmological datasets, the evaluation of correlation functions with observational and simula ...
