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Machine learning workflow development is a process of trial-and-error: developers iterate on workflows by testing out small modifications until the desired accuracy is achieved. Unfortunately, existing machine learning systems focus…

Databases · Computer Science 2018-12-17 Doris Xin , Stephen Macke , Litian Ma , Jialin Liu , Shuchen Song , Aditya Parameswaran

High-energy physics (HEP) provides ever-growing amount of data. To analyse these, continuously-evolving computational power is required in parallel by extending the storage capacity. Such developments play key roles in the future of this…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-10 Gábor Bíró , Gergely Gábor Barnaföldi , Péter Lévai

This paper presents a Python software package, Ph3pyWF, providing a more convenient platform to realize high-throughput analysis of lattice thermal conductivity for ceramic materials. The interface of Ph3pyWF is friendly for users with…

Materials Science · Physics 2023-02-24 Kerui Lai , Yuxuan Wang

In this paper we document the current analysis software training and onboarding activities in several High Energy Physics (HEP) experiments: ATLAS, CMS, LHCb, Belle II and DUNE. Fast and efficient onboarding of new collaboration members is…

We introduce SurfFlow, an open-source high-throughput workflow package designed for automated first-principles calculations of surface energies in arbitrary crystals. Our package offers a comprehensive solution capable of handling…

Materials Science · Physics 2023-11-07 Firat Yalcin , Michael Wolloch

Data analysis in fundamental sciences nowadays is an essential process that pushes frontiers of our knowledge and leads to new discoveries. At the same time we can see that complexity of those analyses increases fast due to a)~enormous…

Data Analysis, Statistics and Probability · Physics 2016-01-20 Tatiana Likhomanenko , Alex Rogozhnikov , Alexander Baranov , Egor Khairullin , Andrey Ustyuzhanin

Multiscale modeling, which integrates material properties from ab initio calculations into continuum-scale simulations, is a promising strategy for optimizing semiconductor devices. However, a key challenge remains: while ab initio methods…

Materials Science · Physics 2026-01-12 Taeyoung Jeong , Kun Hee Ye , Seungjae Yoon , Dohyun Kim , Yunjae Kim , Jung-Hae Choi

This article proposes a novel high-performance computing approach for the prediction of the temperature field in powder bed fusion (PBF) additive manufacturing processes. In contrast to many existing approaches to part-scale simulations,…

Computational Engineering, Finance, and Science · Computer Science 2023-09-18 Sebastian D. Proell , Peter Munch , Martin Kronbichler , Wolfgang A. Wall , Christoph Meier

We present a python-based program for phenomenological investigations in particle physics using machine learning algorithms, called \verb"MLAnalysis". The program is able to convert LHE and LHCO files generated by \verb"MadGraph5_aMC@NLO"…

High Energy Physics - Phenomenology · Physics 2023-10-18 Yu-Chen Guo , Fan Feng , An Di , Shi-Qi Lu , Ji-Chong Yang

In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…

Machine Learning · Computer Science 2023-05-17 Sabber Ahamed , Md Mesbah Uddin

Given the recent technological trends and novel computing paradigms spanning both software and hardware, physicists and software developers can no longer just rely on computers becoming faster to meet the ever-increasing computing demands…

Performance · Computer Science 2025-03-03 Maksymilian Graczyk , Stefan Roiser

Electronic structure simulation (ESS) has been used for decades to provide quantitative scientific insights on an atomistic scale, enabling advances in chemistry, biology, and materials science, among other disciplines. Following standard…

Machine Learning · Computer Science 2024-06-06 Hatem Helal , Andrew Fitzgibbon

Machine data is central to observability and diagnosis in modern computing systems, appearing in logs, metrics, telemetry traces, and configuration snapshots. When provided to large language models (LLMs), this data typically arrives as a…

Artificial Intelligence · Computer Science 2026-04-08 Jian Tan , Fan Bu , Yuqing Gao , Dev Khanolkar , Jason Mackay , Boris Sobolev , Lei Jin , Li Zhang

It is for the first time that Quantum Simulation for High Energy Physics (HEP) is studied in the U.S. decadal particle-physics community planning, and in fact until recently, this was not considered a mainstream topic in the community. This…

High-Level Synthesis (HLS) enables rapid prototyping of complex hardware designs by translating C or C++ code to low-level RTL code. However, the testing and evaluation of HLS designs still typically rely on slow RTL-level simulators that…

Performance · Computer Science 2024-04-18 Rishov Sarkar , Rachel Paul , Cong Hao

Ecological sciences are using imagery from a variety of sources to monitor and survey populations and ecosystems. Very High Resolution (VHR) satellite imagery provide an effective dataset for large scale surveys. Convolutional Neural…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-30 Ioannis Paraskevakos , Matteo Turilli , Bento Collares Gonçalves , Heather J. Lynch , Shantenu Jha

The yaglm package aims to make the broader ecosystem of modern generalized linear models accessible to data analysts and researchers. This ecosystem encompasses a range of loss functions (e.g. linear, logistic, quantile regression),…

Computation · Statistics 2021-10-13 Iain Carmichael , Thomas Keefe , Naomi Giertych , Jonathan P Williams

Under extreme operating conditions, characterized by high particle multiplicity and heavily overlapping shower energy deposits, classical particle flow algorithms encounter pronounced limitations in resolution, efficiency, and accuracy. To…

Instrumentation and Detectors · Physics 2025-05-13 Yu Wang , Yangguang Zhang , Shengxiang Lin , Xingyi Zhang , Han Zhang

Compelling arguments suggest the presence of new physics at energy scales that will be probed by frontier energy colliders over the next decade. Arguments for each of the many flavors of new physics that have been proposed seem much less…

High Energy Physics - Experiment · Physics 2014-11-17 Bruce Knuteson