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 ...
In this paper, we propose an analytical stochastic dynamic programming (SDP) algorithm to address the optimal management problem of price-maker community energy storage. As a price-maker, energy storage smooths price differences, thus decreasing energy arb ...
Gruber et al. (2022) offered a framework how to explain "Physical time within human time", solving the 'two times problem: Here, I am asking whether such a problem exists at all. To question the question, I will appeal to neurobiological, evolutionary, and ...
The field of biometrics, and especially face recognition, has seen a wide-spread adoption the last few years, from access control on personal devices such as phones and laptops, to automated border controls such as in airports. The stakes are increasingly ...
An integer linear program is a problem of the form max{c^T x : Ax=b, x >= 0, x integer}, where A is in Z^(n x m), b in Z^m, and c in Z^n.
Solving an integer linear program is NP-hard in general, but there are several assumptions for which it becomes fixed ...
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 ...
In this thesis, we give new approximation algorithms for some NP-hard problems arising in resource allocation and network design. As a resource allocation problem, we study the Santa Claus problem (also known as the MaxMin Fair Allocation problem) in which ...
The advent of comprehensive synaptic wiring diagrams of large neural circuits has created the field of connectomics and given rise to a number of open research questions. One such question is whether it is possible to reconstruct the information stored in ...
In this thesis we present and analyze approximation algorithms for three different clustering problems. The formulations of these problems are motivated by fairness and explainability considerations, two issues that have recently received attention in the ...
In this work, we reviewed the available phase selection rules comprising atomic size and topological aspects, entropies, enthalpies, melting points, valence and itinerant electron concentrations, as well as electronegativity, and validated them using a car ...
