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This paper introduces ROmodel, an open source Python package extending the modeling capabilities of the algebraic modeling language Pyomo to robust optimization problems. ROmodel helps practitioners transition from deterministic to robust…

Optimization and Control · Mathematics 2021-05-19 Johannes Wiebe , Ruth Misener

Parameterizing by the largest processing time $p_{max}$ and the number of different job processing times $d$, we propose a proximity technique for High-Multiplicity Scheduling on Uniform Machines for the objectives Makespan Minimization…

Data Structures and Algorithms · Computer Science 2024-09-24 Hauke Brinkop , David Fischer , Klaus Jansen

We present mstlo (mistletoe), a Rust library for high-performance online monitoring of signal temporal logic (STL), with Python bindings. The library provides: (i) a unified interface for multiple STL semantics, including Robust…

In this work, we develop and analyze a Hybrid High-Order (HHO) method for steady non-linear Leray-Lions problems. The proposed method has several assets, including the support for arbitrary approximation orders and general polytopal meshes.…

Numerical Analysis · Mathematics 2018-05-29 Daniele A. Di Pietro , Jérôme Droniou

Chemical short-range order (SRO) affects the distribution of elements throughout the solid-solution phase of metallic alloys, thereby modifying the background against which microstructural evolution occurs. Investigating such…

Materials Science · Physics 2024-07-10 Yifan Cao , Killian Sheriff , Rodrigo Freitas

Common analysis techniques in multi-messenger astronomy involve hypothesis tests with unbinned log-likelihood (LLH) functions using data recorded in celestial coordinates to identify sources of high-energy cosmic particles in the Universe.…

Instrumentation and Methods for Astrophysics · Physics 2019-08-15 Martin Wolf

Active learning (AL) is a sub-field of ML focused on the development of methods to iteratively and economically acquire data by strategically querying new data points that are the most useful for a particular task. Here, we introduce…

Many applications in the sciences require numerically stable and computationally efficient evaluation of multivariate polynomials. Finding beneficial representations of polynomials, such as Horner factorisations, is therefore crucial.…

Mathematical Software · Computer Science 2020-07-30 Jannik Michelfeit

Effects of geometrical frustration and quantum fluctuation are theoretically investigated for the proton ordering in a quasi-two-dimensional hydrogen-bonded system, squaric acid crystal. We elucidate the phase diagram for an effective…

Strongly Correlated Electrons · Physics 2015-03-19 Hiroaki Ishizuka , Yukitoshi Motome , Nobuo Furukawa , Sei Suzuki

Polarized general-relativistic radiative transfer in the vicinity of black holes and other compact objects has become a crucial tool for probing the properties of relativistic astrophysics plasmas. Instruments like GRAVITY, the Event…

High Energy Astrophysical Phenomena · Physics 2023-12-01 N. Aimar , T. Paumard , F. H. Vincent , E. Gourgoulhon , G. Perrin

Polyhedral compilers can perform complex loop optimizations that improve parallelism and cache behaviour of loops in the input program. These transformations result in significant performance gains on modern processors which have large…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-29 Aravind Acharya , Uday Bondhugula , Albert Cohen

We present the python package DiPolMol-Py, which can be used to calculate the rotational and hyperfine structure of $^2\Sigma$ molecules. The calculations can be performed in the presence of dc magnetic fields, dc electric fields and far…

Atomic Physics · Physics 2025-09-01 Bethan Humphreys , Alex J. Matthies , Hannah J. Williams

We analyze the nature of the structural order established in liquid TIP4P water in the framework provided by the multi-particle correlation expansion of the statistical entropy. Different regimes are mapped onto the phase diagram of the…

Materials Science · Physics 2011-10-25 Rubens Esposito , Franz Saija , A. Marco Saitta , Paolo V. Giaquinta

Nonlinear contraction theory is a comparatively recent dynamic control system design tool based on an exact differential analysis of convergence, in essence converting a nonlinear stability problem into a linear time-varying stability…

Pattern Formation and Solitons · Physics 2007-05-23 Winfried Lohmiller , Jean-Jacques E. Slotine

In this paper, we present the Python package PSY-TaLiRo which is a toolbox for temporal logic robustness guided falsification of Cyber-Physical Systems (CPS). PSY-TaLiRo is a completely modular toolbox supporting multiple temporal logic…

Software Engineering · Computer Science 2021-06-07 Quinn Thibeault , Jacob Anderson , Aniruddh Chandratre , Giulia Pedrielli , Georgios Fainekos

HYPERTILING is a high-performance Python library for the generation and visualization of regular hyperbolic lattices embedded in the Poincar\'e disk model. Using highly optimized, efficient algorithms, hyperbolic tilings with millions of…

Computational Physics · Physics 2024-06-27 Manuel Schrauth , Yanick Thurn , Florian Goth , Jefferson S. E. Portela , Dietmar Herdt , Felix Dusel

Traditional implementations of strongly-typed functional programming languages often miss the root cause of type errors. As a consequence, type error messages are often misleading and confusing - particularly for students learning such a…

Programming Languages · Computer Science 2024-08-20 Max Kopinsky , Brigitte Pientka , Xujie Si

Integrated information theory provides a mathematical framework to fully characterize the cause-effect structure of a physical system. Here, we introduce PyPhi, a Python software package that implements this framework for causal analysis…

Neurons and Cognition · Quantitative Biology 2018-08-16 William G. P. Mayner , William Marshall , Larissa Albantakis , Graham Findlay , Robert Marchman , Giulio Tononi

Ordinary Differential Equations (ODE) are used throughout science where the capture of rates of change in states is sought. While both pieces of commercial and open software exist to study such systems, their efficient and accurate usage…

Mathematical Software · Computer Science 2018-03-20 Edwin Tye , Tom Finnie , Ian Hall , Steve Leach

Functional groups and moieties are chemical descriptors of biomolecules that can be used to interpret their properties and functions, leading to the understanding of chemical or biological mechanisms. These chemical building blocks, or…

Biomolecules · Quantitative Biology 2021-11-08 Yasemin Yesiltepe , Ryan S. Renslow , Thomas O. Metz