most citedZnTrack -- Data as Code

2 citations · 3 across the 6 of their papers we have counts for

collaborators

6 papers

cs.RO20241 cited

SwarmRL: Building the Future of Smart Active Systems

Samuel Tovey, Christoph Lohrmann, Tobias Merkt +6

This work introduces SwarmRL, a Python package designed to study intelligent active particles. SwarmRL provides an easy-to-use interface for developing models to control microscopi…

physics.bio-ph2024

Emergence of Chemotactic Strategies with Multi-Agent Reinforcement Learning

Samuel Tovey, Christoph Lohrmann, Christian Holm

Reinforcement learning (RL) is a flexible and efficient method for programming micro-robots in complex environments. Here we investigate whether reinforcement learning can provide…

cond-mat.soft2024

Emergence of Accurate Atomic Energies from Machine Learned Noble Gas Potentials

Frank Uhlig, Samuel Tovey, Christian Holm

The quantum theory of atoms in molecules (QTAIM) gives access to well-defined local atomic energies. Due to their locality, these energies are potentially interesting in fitting at…

cs.SE20242 cited

ZnTrack -- Data as Code

Fabian Zills, Moritz Schäfer, Samuel Tovey +2

The past decade has seen tremendous breakthroughs in computation and there is no indication that this will slow any time soon. Machine learning, large-scale computing resources, an…

physics.comp-ph2023

Generating Minimal Training Sets for Machine Learned Potentials

Jan Finkbeiner, Samuel Tovey, Christian Holm

This letter presents a novel approach for identifying uncorrelated atomic configurations from extensive data sets with a non-standard neural network workflow known as random networ…

cs.LG2023

Towards a Phenomenological Understanding of Neural Networks: Data

Samuel Tovey, Sven Krippendorf, Konstantin Nikolaou +1

A theory of neural networks (NNs) built upon collective variables would provide scientists with the tools to better understand the learning process at every stage. In this work, we…