Related papers: SIMBA: A Python-based single-point astrochemical s…
COnstraint-Based Reconstruction and Analysis (COBRA) provides a molecular mechanistic framework for integrative analysis of experimental data and quantitative prediction of physicochemically and biochemically feasible phenotypic states. The…
Data assimilation techniques are often confronted with challenges handling complex high dimensional physical systems, because high precision simulation in complex high dimensional physical systems is computationally expensive and the exact…
Synthesizing Mixed-Boolean Arithmetic (MBA) expressions from input-output examples is central to program deobfuscation and also useful for compiler optimization, reverse engineering, and cryptanalysis. Existing MBA synthesizers are…
In materials discovery, the integration of first-principles calculations with machine learning techniques has been actively studied for two key tasks: crystal structure prediction, which searches for stable structures given a chemical…
In Smoothed Particles Hydrodynamics (SPH) codes with a large number of particles, star formation as well as gas and metal restitution from dying stars can be treated statistically. This approach allows to include detailed chemical evolution…
We present PlainMamba: a simple non-hierarchical state space model (SSM) designed for general visual recognition. The recent Mamba model has shown how SSMs can be highly competitive with other architectures on sequential data and initial…
Since the first observations of interstellar molecules, astrochemical simulations have been employed to model and understand its formation and destruction path- ways. With the advent of high-resolution telescopes such as JWST and ALMA, the…
We present an overview of Sherpa, an open source Python project, and discuss its development history, broad design concepts and capabilities. Sherpa contains powerful tools for combining parametric models into complex expressions that can…
We introduce the LYRA project, a new high resolution galaxy formation model built within the framework of the cosmological hydro-dynamical moving mesh code AREPO. The model resolves the multi-phase interstellar medium down to 10 K. It forms…
Machine Learning (ML) and linear System Identification (SI) have been historically developed independently. In this paper, we leverage well-established ML tools - especially the automatic differentiation framework - to introduce SIMBa, a…
Existing salient object detection (SOD) models are generally constrained by the limited receptive fields of convolutional neural networks (CNNs) and quadratic computational complexity of Transformers. Recently, the emerging state-space…
We update the capabilities of the software instrument Modules for Experiments in Stellar Astrophysics (MESA) and enhance its ease of use and availability. Our new approach to locating convective boundaries is consistent with the physics of…
Molecular lines are powerful diagnostics of the physical and chemical properties of the interstellar medium (ISM). These ISM properties, which affect future star formation, are expected to differ in starburst galaxies from those of more…
Sigma-profiles obtained from quantum-chemical calculations are key molecular descriptors for solvent selection, thermodynamic modeling, and data-driven molecular design. However, existing sigma-profile libraries are limited in size and…
The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is characterized by widely disparate time scales. As a result,…
pyGDM is a python toolkit for electro-dynamical simulations in nano-optics based on the Green Dyadic Method (GDM). In contrast to most other coupled-dipole codes, pyGDM uses a generalized propagator, which allows to cost-efficiently solve…
Single molecule F\"orster resonance energy transfer (smFRET) is a powerful experimental technique for studying the properties of individual biological molecules in solution. However, as adoption of smFRET techniques becomes more widespread,…
We perform a suite of cosmological hydrodynamical simulations of disc galaxies, with zoomed-in initial conditions leading to the formation of a halo of mass $M_{\rm halo, \, DM} \simeq 2 \cdot 10^{12}$ M$_{\odot}$ at redshift $z=0$. These…
Advanced observational facilities allow to trace back the chemical evolution of the Universe, on the one hand, from local objects of different ages and, secondly, by direct observations of redshifted objects. The chemical enrichment serves…
This paper introduces the practicalities and benefits of using SimPy, a discrete event simulation (DES) module written in Python, for modeling and simulating complex systems. Through a step-by-step exploration of the classical Dining…