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Among the well-known methods to approximate derivatives of expectancies computed by Monte-Carlo simulations, averages of pathwise derivatives are often the easiest one to apply. Computing them via algorithmic differentiation typically does not require major manual analysis and rewriting of the code, even for very complex programs like simulations of particle-detector interactions in high-energy physics. However, the pathwise derivative estimator can be biased if there are discontinuities in the program, which may diminish its value for applications. This work integrates algorithmic differentiation into the electromagnetic shower simulation code HepEmShow based on G4HepEm, allowing us to study how well pathwise derivatives approximate derivatives of energy depositions in a sampling calorimeter with respect to parameters of the beam and geometry. We found that when multiple scattering is disabled in the simulation, means of pathwise derivatives converge quickly to their expected values, and these are close to the actual derivatives of the energy deposition. Additionally, we demonstrate the applicability of this novel gradient estimator for stochastic gradient-based optimization in a model example., Comment: 12 pages, 11 figures, 2 tables

As we reach the limit of Moore's Law, researchers are exploring different paradigms to achieve unprecedented performance. Approximate Computing (AC), which relies on the ability of applications to tolerate some error in the results to trade-off accuracy for performance, has shown significant promise. Despite the success of AC in domains such as Machine Learning, its acceptance in High-Performance Computing (HPC) is limited due to stringent requirements for accuracy. We need tools and techniques to identify regions of code that are amenable to approximations and their impact on the application output quality to guide developers to employ selective approximation. To this end, we propose CHEF-FP, a flexible, scalable, and easy-to-use source-code transformation tool based on Automatic Differentiation (AD) for analyzing approximation errors in HPC applications. CHEF-FP uses Clad, an efficient AD tool built as a plugin to the Clang compiler and based on the LLVM compiler infrastructure, as a backend and utilizes its AD abilities to evaluate approximation errors in C++ code. CHEF-FP works at the source by injecting error estimation code into the generated adjoints. This enables the error-estimation code to undergo compiler optimizations resulting in improved analysis time and reduced memory usage. We also provide theoretical and architectural augmentations to source code transformation-based AD tools to perform FP error analysis. This paper primarily focuses on analyzing errors introduced by mixed-precision AC techniques. We also show the applicability of our tool in estimating other kinds of errors by evaluating our tool on codes that use approximate functions. Moreover, we demonstrate the speedups CHEF-FP achieved during analysis time compared to the existing state-of-the-art tool due to its ability to generate and insert approximation error estimate code directly into the derivative source., Comment: 11 pages, to appear in the 2023 IEEE International Parallel and Distributed Processing Symposium (IPDPS'23)

RooFit is a toolkit for statistical modeling and fitting used by most experiments in particle physics. Just as data sets from next-generation experiments grow, processing requirements for physics analysis become more computationally demanding, necessitating performance optimizations for RooFit. One possibility to speed-up minimization and add stability is the use of Automatic Differentiation (AD). Unlike for numerical differentiation, the computation cost scales linearly with the number of parameters, making AD particularly appealing for statistical models with many parameters. In this paper, we report on one possible way to implement AD in RooFit. Our approach is to add a facility to generate C++ code for a full RooFit model automatically. Unlike the original RooFit model, this generated code is free of virtual function calls and other RooFit-specific overhead. In particular, this code is then used to produce the gradient automatically with Clad. Clad is a source transformation AD tool implemented as a plugin to the clang compiler, which automatically generates the derivative code for input C++ functions. We show results demonstrating the improvements observed when applying this code generation strategy to HistFactory and other commonly used RooFit models. HistFactory is the subcomponent of RooFit that implements binned likelihood models with probability densities based on histogram templates. These models frequently have a very large number of free parameters and are thus an interesting first target for AD support in RooFit., Comment: 6 pages, 5 figures, 21st International Workshop on Advanced Computing and Analysis Techniques in Physics Research

Automatic Differentiation (AD) is instrumental for science and industry. It is a tool to evaluate the derivative of a function specified through a computer program. The range of AD application domain spans from Machine Learning to Robotics to High Energy Physics. Computing gradients with the help of AD is guaranteed to be more precise than the numerical alternative and have a low, constant factor more arithmetical operations compared to the original function. Moreover, AD applications to domain problems typically are computationally bound. They are often limited by the computational requirements of high-dimensional parameters and thus can benefit from parallel implementations on graphics processing units (GPUs). Clad aims to enable differential analysis for C/C++ and CUDA and is a compiler-assisted AD tool available both as a compiler extension and in ROOT. Moreover, Clad works as a plugin extending the Clang compiler; as a plugin extending the interactive interpreter Cling; and as a Jupyter kernel extension based on xeus-cling. We demonstrate the advantages of parallel gradient computations on GPUs with Clad. We explain how to bring forth a new layer of optimization and a proportional speed up by extending Clad to support CUDA. The gradients of well-behaved C++ functions can be automatically executed on a GPU. The library can be easily integrated into existing frameworks or used interactively. Furthermore, we demonstrate the achieved application performance improvements, including (~10x) in ROOT histogram fitting and corresponding performance gains from offloading to GPUs., Comment: 7 pages, 2 figures, 20th International Workshop on Advanced Computing and Analysis Techniques in Physics Research

This paper has been prepared by the HEP Software Foundation (HSF) Physics Event Generator Working Group (WG), as an input to the second phase of the LHCC review of High-Luminosity LHC (HL-LHC) computing, which is due to take place in November 2021. It complements previous documents prepared by the WG in the context of the first phase of the LHCC review in 2020, including in particular the WG paper on the specific challenges in Monte Carlo event generator software for HL-LHC, which has since been updated and published, and which we are also submitting to the November 2021 review as an integral part of our contribution., Comment: 34 pages; editors Efe Yazgan, Josh McFayden and Andrea Valassi

The COVID-19 pandemic has by-and-large prevented in-person meetings since March 2020. While the increasing deployment of effective vaccines around the world is a very positive development, the timeline and pathway to "normality" is uncertain and the "new normal" we will settle into is anyone's guess. Particle physics, like many other scientific fields, has more than a year of experience in holding virtual meetings, workshops, and conferences. A great deal of experimentation and innovation to explore how to execute these meetings effectively has occurred. Therefore, it is an appropriate time to take stock of what we as a community learned from running virtual meetings and discuss possible strategies for the future. Continuing to develop effective strategies for meetings with a virtual component is likely to be important for reducing the carbon footprint of our research activities, while also enabling greater diversity and inclusion for participation. This report summarizes a virtual two-day workshop on Virtual Meetings held May 5-6, 2021 which brought together experts from both inside and outside of high-energy physics to share their experiences and practices with organizing and executing virtual workshops, and to develop possible strategies for future meetings as we begin to emerge from the COVID-19 pandemic. This report outlines some of the practices and tools that have worked well which we hope will serve as a valuable resource for future virtual meeting organizers in all scientific fields., Comment: A report from the "Virtual Meetings" IRIS-HEP Blueprint Workshop: https://indico.cern.ch/event/1026363/

File formats for generic data structures, such as ROOT, Avro, and Parquet, pose a problem for deserialization: it must be fast, but its code depends on the type of the data structure, not known at compile-time. Just-in-time compilation can satisfy both constraints, but we propose a more portable solution: specialized virtual machines. AwkwardForth is a Forth-driven virtual machine for deserializing data into Awkward Arrays. As a language, it is not intended for humans to write, but it loosens the coupling between Uproot and Awkward Array. AwkwardForth programs for deserializing record-oriented formats (ROOT and Avro) are about as fast as C++ ROOT and 10-80$\times$ faster than fastavro. Columnar formats (simple TTrees, RNTuple, and Parquet) only require specialization to interpret metadata and are therefore faster with precompiled code., Comment: 11 pages, 2 figures, submitted to the 25th International Conference on Computing in High Energy & Nuclear Physics

Common and community software packages, such as ROOT, Geant4 and event generators have been a key part of the LHC's success so far and continued development and optimisation will be critical in the future. The challenges are driven by an ambitious physics programme, notably the LHC accelerator upgrade to high-luminosity, HL-LHC, and the corresponding detector upgrades of ATLAS and CMS. In this document we address the issues for software that is used in multiple experiments (usually even more widely than ATLAS and CMS) and maintained by teams of developers who are either not linked to a particular experiment or who contribute to common software within the context of their experiment activity. We also give space to general considerations for future software and projects that tackle upcoming challenges, no matter who writes it, which is an area where community convergence on best practice is extremely useful., Comment: 40 pages contribution to Snowmass 2021

The standard petrography test method for measuring air voids in concrete (ASTM C457) requires a meticulous and long examination of sample phase composition under a stereomicroscope. The high expertise and specialized equipment discourage this test for routine concrete quality control. Though the task can be alleviated with the aid of color-based image segmentation, additional surface color treatment is required. Recently, deep learning algorithms using convolutional neural networks (CNN) have achieved unprecedented segmentation performance on image testing benchmarks. In this study, we investigated the feasibility of using CNN to conduct concrete segmentation without the use of color treatment. The CNN demonstrated a strong potential to process a wide range of concretes, including those not involved in model training. The experimental results showed that CNN outperforms the color-based segmentation by a considerable margin, and has comparable accuracy to human experts. Furthermore, the segmentation time is reduced to mere seconds., Comment: Accepted as a journal publication by Cement & Concrete Research

C++ Modules come in C++20 to fix the long-standing build scalability problems in the language. They provide an io-efficient, on-disk representation capable to reduce build times and peak memory usage. ROOT employs the C++ modules technology further in the ROOT dictionary system to improve its performance and reduce the memory footprint. ROOT with C++ Modules was released as a technology preview in fall 2018, after intensive development during the last few years. The current state is ready for production, however, there is still room for performance optimizations. In this talk, we show the roadmap for making the technology default in ROOT. We demonstrate a global module indexing optimization which allows reducing the memory footprint dramatically for many workflows. We will report user feedback on the migration to ROOT with C++ Modules., Comment: Submitted as a proceedings to CHEP 2019

Benchmarking of CPU resources in WLCG has been based on the HEP-SPEC06 (HS06) suite for over a decade. It has recently become clear that HS06, which is based on real applications from non-HEP domains, no longer describes typical HEP workloads. The aim of the HEP-Benchmarks project is to develop a new benchmark suite for WLCG compute resources, based on real applications from the LHC experiments. By construction, these new benchmarks are thus guaranteed to have a score highly correlated to the throughputs of HEP applications, and a CPU usage pattern similar to theirs. Linux containers and the CernVM-FS filesystem are the two main technologies enabling this approach, which had been considered impossible in the past. In this paper, we review the motivation, implementation and outlook of the new benchmark suite., Comment: 9 pages, submitted to CHEP2019 proceedings in EPJ Web of Conferences; revised version addressing referee's comments

The Awkward Array library has been an important tool for physics analysis in Python since September 2018. However, some interface and implementation issues have been raised in Awkward Array's first year that argue for a reimplementation in C++ and Numba. We describe those issues, the new architecture, and present some examples of how the new interface will look to users. Of particular importance is the separation of kernel functions from data structure management, which allows a C++ implementation and a Numba implementation to share kernel functions, and the algorithm that transforms record-oriented data into columnar Awkward Arrays., Comment: To be published in CHEP 2019 proceedings, EPJ Web of Conferences; post-review update

To produce the best physics results, high energy physics experiments require access to calibration and other non-event data during event data processing. These conditions data are typically stored in databases that provide versioning functionality, allowing physicists to make improvements while simultaneously guaranteeing the reproducibility of their results. With the increased complexity of modern experiments, and the evolution of computing models that demand large scale access to conditions data, the solutions for managing this access have evolved over time. In this white paper we give an overview of the conditions data access problem, present convergence on a common solution and present some considerations for the future., Comment: 11 pages

There are numerous approaches to building analysis applications across the high-energy physics community. Among them are Python-based, or at least Python-driven, analysis workflows. We aim to ease the adoption of a Python-based analysis toolkit by making it easier for non-expert users to gain access to Python tools for scientific analysis. Experimental software distributions and individual user analysis have quite different requirements. Distributions tend to worry most about stability, usability and reproducibility, while the users usually strive to be fast and nimble. We discuss how we built and now maintain a python distribution for analysis while satisfying requirements both a large software distribution (in our case, that of CMSSW) and user, or laptop, level analysis. We pursued the integration of tools used by the broader data science community as well as HEP developed (e.g., histogrammar, root_numpy) Python packages. We discuss concepts we investigated for package integration and testing, as well as issues we encountered through this process. Distribution and platform support are important topics. We discuss our approach and progress towards a sustainable infrastructure for supporting this Python stack for the CMS user community and for the broader HEP user community., Comment: Proceedings of 18th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT)

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 analysis and interpretation of data from sophisticated detectors in HEP experiments. The goal of data analysis systems is to realize the maximum possible scientific potential of the data within the constraints of computing and human resources in the least time. To achieve this goal, future analysis systems should empower physicists to access the data with a high level of interactivity, reproducibility and throughput capability. As part of the HEP Software Foundation Community White Paper process, a working group on Data Analysis and Interpretation was formed to assess the challenges and opportunities in HEP data analysis and develop a roadmap for activities in this area over the next decade. In this report, the key findings and recommendations of the Data Analysis and Interpretation Working Group are presented., Comment: arXiv admin note: text overlap with arXiv:1712.06592

Realizing the physics programs of the planned and upgraded high-energy physics (HEP) experiments over the next 10 years will require the HEP community to address a number of challenges in the area of software and computing. For this reason, the HEP software community has engaged in a planning process over the past two years, with the objective of identifying and prioritizing the research and development required to enable the next generation of HEP detectors to fulfill their full physics potential. The aim is to produce a Community White Paper which will describe the community strategy and a roadmap for software and computing research and development in HEP for the 2020s. The topics of event reconstruction and software triggers were considered by a joint working group and are summarized together in this document., Comment: Editors: Vladimir Gligorov and David Lange

Realizing the physics programs of the planned and upgraded high-energy physics (HEP) experiments over the next 10 years will require the HEP community to address a number of challenges in the area of software and computing. For this reason, the HEP software community has engaged in a planning process over the past two years, with the objective of identifying and prioritizing the research and development required to enable the next generation of HEP detectors to fulfill their full physics potential. The aim is to produce a Community White Paper which will describe the community strategy and a roadmap for software and computing research and development in HEP for the 2020s. The topics of event reconstruction and software triggers were considered by a joint working group and are summarized together in this document., Comment: Editors Vladimir Vava Gligorov and David Lange

The High Energy Phyiscs community has developed and needs to maintain many tens of millions of lines of code and to integrate effectively the work of thousands of developers across large collaborations. Software needs to be built, validated, and deployed across hundreds of sites. Software also has a lifetime of many years, frequently beyond that of the original developer, it must be developed with sustainability in mind. Adequate recognition of software development as a critical task in the HEP community needs to be fostered and an appropriate publication and citation strategy needs to be developed. As part of the HEP Softare Foundation's Community White Paper process a working group on Software Development, Deployment and Validation was formed to examine all of these issues, identify best practice and to formulare recommendations for the next decade. Its report is presented here.

Particle physics has an ambitious and broad experimental programme for the coming decades. This programme requires large investments in detector hardware, either to build new facilities and experiments, or to upgrade existing ones. Similarly, it requires commensurate investment in the R&D of software to acquire, manage, process, and analyse the shear amounts of data to be recorded. In planning for the HL-LHC in particular, it is critical that all of the collaborating stakeholders agree on the software goals and priorities, and that the efforts complement each other. In this spirit, this white paper describes the R&D activities required to prepare for this software upgrade.

Exploratory data analysis tools must respond quickly to a user's questions, so that the answer to one question (e.g. a visualized histogram or fit) can influence the next. In some SQL-based query systems used in industry, even very large (petabyte) datasets can be summarized on a human timescale (seconds), employing techniques such as columnar data representation, caching, indexing, and code generation/JIT-compilation. This article describes progress toward realizing such a system for High Energy Physics (HEP), focusing on the intermediate problems of optimizing data access and calculations for "query sized" payloads, such as a single histogram or group of histograms, rather than large reconstruction or data-skimming jobs. These techniques include direct extraction of ROOT TBranches into Numpy arrays and compilation of Python analysis functions (rather than SQL) to be executed very quickly. We will also discuss the problem of caching and actively delivering jobs to worker nodes that have the necessary input data preloaded in cache. All of these pieces of the larger solution are available as standalone GitHub repositories, and could be used in current analyses., Comment: 6 pages, 2 figures, proceedings for ACAT 2017