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We present a new Python pipeline for processing data from astronomical long-slit spectroscopy observations recorded with CCD detectors. The pipeline is designed to aim for simplicity, manual execution, transparency and robustness. The goal…
We will discuss the key concepts in density functional theory (DFT), how it can be used to model experimental data, and consider how the synergy between DFT and experiment can give significant insights. The discussion will centre on the…
The discrete-dipole approximation (DDA) is a flexible technique for computing scattering and absorption by targets of arbitrary geometry. In this paper we perform systematic study of various non-stationary iterative (conjugate gradient)…
We present FiFTy, a modern file type identification tool for memory forensics and data carving. In contrast to previous approaches based on hand-crafted features, we design a compact neural network architecture, which uses a trainable…
Density Functional Theory (DFT) is a cornerstone of materials science, yet executing DFT in practice requires coordinating a complex, multi-step workflow. Existing tools and LLM-based solutions automate parts of the steps, but lack support…
Given two distinct subsets $A,B$ in the state space of some dynamical system, Transition Path Theory (TPT) was successfully used to describe the statistical behavior of transitions from $A$ to $B$ in the ergodic limit of the stationary…
Dialectica categories are a very versatile categorical model of linear logic. These have been used to model many seemingly different things (e.g., Petri nets and Lambek's calculus). In this note, we expand our previous work on fuzzy petri…
This paper proposes a dynamical notion of discrete geodesics, understood as straightest trajectories in discretized curved spacetime. The notion is generic, as it is formulated in terms of a general deviation function, but readily…
The dynamical mean-field theory (DMFT) is a widely applicable approximation scheme for the investigation of correlated quantum many-particle systems on a lattice, e.g., electrons in solids and cold atoms in optical lattices. In particular,…
A significant challenge in many fields of science and engineering is making sense of time-dependent measurement data by recovering governing equations in the form of differential equations. We focus on finding parsimonious ordinary…
Fault trees are a key model in reliability analysis. Classical static fault trees (SFT) can best be analysed using binary decision diagrams (BDD). State-based techniques are favorable for the more expressive dynamic fault trees (DFT). This…
In this paper we present a method of discrete modeling and analysis of multi-level dynamics of complex large-scale hierarchical dynamic systems subject to external dynamic control mechanism. In a model each state describes parallel dynamics…
DIETER is an open-source power sector model designed to analyze future settings with very high shares of variable renewable energy sources. It minimizes overall system costs, including fixed and variable costs of various generation,…
Over the last few years, with the growth of time-series collecting and storing, there has been a great demand for tools and software for temporal data engineering and modeling. This paper presents a generic workflow for time series data…
Set functions are functions (or signals) indexed by the powerset (set of all subsets) of a finite set N. They are fundamental and ubiquitous in many application domains and have been used, for example, to formally describe or quantify loss…
PyOD is an open-source Python toolbox for performing scalable outlier detection on multivariate data. Uniquely, it provides access to a wide range of outlier detection algorithms, including established outlier ensembles and more recent…
Finite-dimensional signatures of spinodal criticality are notoriously difficult to come by. The dynamical transition of glass-forming liquids, first described by mode-coupling theory, is a spinodal instability preempted by thermally…
Class diagrams (CDs), which specify classes and the relationships between them, are widely used for modeling the structure of object-oriented systems. As models, programs, and systems evolve over time, during the development lifecycle and…
We study limit sets of stable cellular automata standing from a symbolic dynamics point of view where they are a special case of sofic shifts admitting a steady epimorphism. We prove that there exists a right-closing almost-everywhere…
Time-dependent density-functional theory (TDDFT) is widely used to describe electronic excitations in complex finite systems with large numbers of atoms, such as biomolecules and nanocrystals. The first part of this paper will give a simple…