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Recent advances in machine learning force fields (MLFF) have significantly extended the reach of atomistic simulations. Continuous progress in this field requires reliable reference datasets, accurate MLFF architectures, and efficient…

Chemical Physics · Physics 2025-10-24 Tobias Henkes , Shubham Sharma , Alexandre Tkatchenko , Mariana Rossi , Igor Poltavskyi

In many real-world continuous action domains, human agents must decide which actions to attempt and then execute those actions to the best of their ability. However, humans cannot execute actions without error. Human performance in these…

Artificial Intelligence · Computer Science 2024-08-21 Delma Nieves-Rivera , Christopher Archibald

unxt is a Python package for unit-aware computing with JAX. unxt is built on top of quax, which provides a framework for building array-like objects that can be used with JAX. unxt extends quax to provide support for unit-aware computing…

Instrumentation and Methods for Astrophysics · Physics 2026-03-11 Nathaniel Starkman , Adrian Price-Whelan , Jake Nibauer

In chemical engineering, process data are expensive to acquire, and complex phenomena are difficult to fully model. We explore the use of physics-informed neural networks (PINNs) for modeling dynamic processes with incomplete mechanistic…

Machine Learning · Computer Science 2024-10-01 Mehmet Velioglu , Song Zhai , Sophia Rupprecht , Alexander Mitsos , Andreas Jupke , Manuel Dahmen

Task-based execution frameworks, such as parallel programming libraries, computational workflow systems, and function-as-a-service platforms, enable the composition of distinct tasks into a single, unified application designed to achieve a…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-08-15 J. Gregory Pauloski , Valerie Hayot-Sasson , Maxime Gonthier , Nathaniel Hudson , Haochen Pan , Sicheng Zhou , Ian Foster , Kyle Chard

Embedded peripheral devices such as memories, sensors and communications interfaces are used to perform a function external to a host microcontroller. The device manufacturer typically specifies worst-case current consumption and latency…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-01-16 Daniel Moore , Alexander Dean

At the heart of experimental high energy physics (HEP) is the development of facilities and instrumentation that provide sensitivity to new phenomena. Our understanding of nature at its most fundamental level is advanced through the…

Apache Spark is a Big Data framework for working on large distributed datasets. Although widely used in the industry, it remains rather limited in the academic community or often restricted to software engineers. The goal of this paper is…

Instrumentation and Methods for Astrophysics · Physics 2019-07-17 S. Plaszczynski , J. Peloton , C. Arnault , J. E. Campagne

Paxos is a widely used and notoriously hard to understand method for solving one type of distributed consensus problem. This note provides a quick explanation of Paxos, a novel proof of correctness that is intended to provide insight into…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-15 Victor Yodaiken

In physics research particle accelerators are highly valued, and extraordinarily expensive, technical instruments. The high cost of particle accelerators results from the immense lengths required to accelerate particles to high energies,…

Accelerator Physics · Physics 2022-10-26 Elisa Rheaume , Lorenzo Giacomel , Jean-Luc Vay , Axel Huebl

Physics-Informed Neural Networks (PINNs) are machine learning tools that approximate the solution of general partial differential equations (PDEs) by adding them in some form as terms of the loss/cost function of a Neural Network. Most…

Numerical Analysis · Mathematics 2022-08-29 Antonio Tadeu Azevedo Gomes , Larissa Miguez da Silva , Frederic Valentin

The challenge of delivering efficient explanations is a critical barrier that prevents the adoption of model explanations in real-world applications. Existing approaches often depend on extensive model queries for sample-level explanations…

Machine Learning · Computer Science 2026-03-10 Deng Pan , Nuno Moniz , Nitesh Chawla

Process mining provides powerful insights into organizational workflows, but extracting these insights typically requires expertise in specialized query languages and data science tools. Large Language Models (LLMs) offer the potential to…

Artificial Intelligence · Computer Science 2026-03-17 Anton Antonov , Humam Kourani , Alessandro Berti , Gyunam Park , Wil M. P. van der Aalst

The a priori analysis (APA) is discussed as a tool to assess the reliability of grades in standard curricular courses. This unusual, but striking application is presented when teaching the section on data treatment of a Laboratory Course to…

Physics Education · Physics 2014-09-29 G. L. Lippi

We introduce QCLAB, an object-oriented MATLAB toolbox for constructing, representing, and simulating quantum circuits. Designed with an emphasis on numerical stability, efficiency, and performance, QCLAB provides a reliable platform for…

Quantum Physics · Physics 2025-03-06 Sophia Keip , Daan Camps , Roel Van Beeumen

The PYTHIA program can be used to generate high-energy-physics `events', i.e. sets of outgoing particles produced in the interactions between two incoming particles. The objective is to provide as accurate as possible a representation of…

High Energy Physics - Phenomenology · Physics 2007-05-23 Torbjörn Sjöstrand , Leif Lönnblad , Stephen Mrenna

We introduce PASTA (Perceptual Assessment System for explanaTion of Artificial Intelligence), a novel human-centric framework for evaluating eXplainable AI (XAI) techniques in computer vision. Our first contribution is the creation of the…

During the last decade we have witnessed an impressive development in so-called interpreted languages and computational environments such as Maple, Mathematica, IDL, Matlab etc. Problems which until recently were typically solved on…

Physics Education · Physics 2007-05-23 Arnt Inge Vistnes , M. Hjorth-Jensen

Physics-Informed Neural Networks (PINNs) have recently emerged as a novel approach to simulate complex physical systems on the basis of both data observations and physical models. In this work, we investigate the use of PINNs for various…

Analysis of PDEs · Mathematics 2024-03-27 Guillaume Coulaud , Maxime Le , Régis Duvigneau

This paper reports on Matlab Channel Access (MCA) Toolbox Matlab [1] interface to Epics Channel Access (CA) client library. We are developing the toolbox for SPEAR3 accelerator controls but it is of general use for accelerator and…

Accelerator Physics · Physics 2007-05-23 Andrei Terebilo
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