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Linear programming (LP) is an extremely useful tool and has been successfully applied to solve various problems in a wide range of areas, including operations research, engineering, economics, or even more abstract mathematical areas such…

In this work, we propose Asynchronous Perception Machine (APM), a computationally-efficient architecture for test-time-training (TTT). APM can process patches of an image one at a time in any order asymmetrically and still encode…

Theoretical concepts in condensed matter physics are typically verified and also developed by exploiting computer simulations mostly in simple models. Predictions based on these usually isotropic models are often at odds with measurement…

Neutral atom quantum computing's great scaling potential has resulted in it emerging as a popular modality in recent years. For state preparation, atoms are loaded stochastically and have to be detected and rearranged at runtime to create a…

This paper considers the shape formation problem within the 3D hybrid model, where a single agent with a strictly limited viewing range and the computational capacity of a deterministic finite automaton manipulates passive tiles through…

We propose a new theoretical model for passively mobile Wireless Sensor Networks, called PM, standing for Passively mobile Machines. The main modification w.r.t. the Population Protocol model is that agents now, instead of being automata,…

Determining the stability of molecules and condensed phases is the cornerstone of atomistic modelling, underpinning our understanding of chemical and materials properties and transformations. Here we show that a machine learning model,…

We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a…

Arbitrary Pattern Formation (APF) is a fundamental coordination problem in swarm robotics. It requires a set of autonomous robots (mobile computing units) to form an arbitrary pattern (given as input) starting from any initial pattern. This…

Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…

First principles based exploration of chemical space deepens our understanding of chemistry, and might help with the design of new materials or experiments. Due to the computational cost of quantum chemistry methods and the immens number of…

Symmetries impose structure on the Hilbert space of a quantum mechanical model. The mathematical units of this structure are the irreducible representations of symmetry groups and I consider how they function as conceptual units of…

We study centralized reconfiguration problems for geometric amoebot structures. A set of $n$ amoebots occupy nodes on the triangular grid and can reconfigure via expansion and contraction operations. We focus on the joint movement…

Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…

The objective of this article is to study the asymptotic behavior of a new particle filtering approach in the context of hidden Markov models (HMMs). In particular, we develop an algorithm where the latent-state sequence is segmented into…

Particle learning (PL) provides state filtering, sequential parameter learning and smoothing in a general class of state space models. Our approach extends existing particle methods by incorporating the estimation of static parameters via a…

Amorphous materials are coming within reach of realistic computer simulations, but new approaches are needed to fully understand their intricate atomic structures. Here, we show how machine-learning (ML)-based techniques can give new,…

Jamming is a fundamental transition that governs the mechanical behavior of particulate media, including sand, foam and dense suspensions but also biological tissues: Upon compression, particulate media can change from freely flowing to a…

Atomic probe tomography (APT), based on the work of Erwin Mueller, is able to generate three-dimensional chemical maps in atomic resolution. The required instruments for APT have evolved over the last 20 years from an experimental to an…

This study explores the age-old quest to construct a geometric model of a quantum particle. While static classical particle models have largely been dismissed, the focus has now shifted to intricate dynamic models that hold the promise of…