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Detectors at future high energy colliders will face enormous technical challenges. Disentangling the unprecedented numbers of particles expected in each event will require highly granular silicon pixel detectors with billions of readout channels. With event rates as high as 40 MHz, these detectors will generate petabytes of data per second. To enable discovery within strict bandwidth and latency constraints, future trackers must be capable of fast, power efficient, and radiation hard data-reduction at the source. We are developing a radiation hard readout integrated circuit (ROIC) in 28nm CMOS with on-chip machine learning (ML) for future intelligent pixel detectors. We will show track parameter predictions using a neural network within a single layer of silicon and hardware tests on the first tape-outs produced with TSMC. Preliminary results indicate that reading out featurized clusters from particles above a modest momentum threshold could enable using pixel information at 40 MHz., Comment: Contribution to the 42nd International Conference on High Energy Physics (ICHEP)

We present a smart pixel prototype readout integrated circuit (ROIC) designed in CMOS 28 nm bulk process, with in-pixel implementation of an artificial intelligence (AI) / machine learning (ML) based data filtering algorithm designed as proof-of-principle for a Phase III upgrade at the Large Hadron Collider (LHC) pixel detector. The first version of the ROIC consists of two matrices of 256 smart pixels, each 25$\times$25 $\mu$m$^2$ in size. Each pixel consists of a charge-sensitive preamplifier with leakage current compensation and three auto-zero comparators for a 2-bit flash-type ADC. The frontend is capable of synchronously digitizing the sensor charge within 25 ns. Measurement results show an equivalent noise charge (ENC) of $\sim$30e$^-$ and a total dispersion of $\sim$100e$^-$ The second version of the ROIC uses a fully connected two-layer neural network (NN) to process information from a cluster of 256 pixels to determine if the pattern corresponds to highly desirable high-momentum particle tracks for selection and readout. The digital NN is embedded in-between analog signal processing regions of the 256 pixels without increasing the pixel size and is implemented as fully combinatorial digital logic to minimize power consumption and eliminate clock distribution, and is active only in the presence of an input signal. The total power consumption of the neural network is $\sim$ 300 $\mu$W. The NN performs momentum classification based on the generated cluster patterns and even with a modest momentum threshold, it is capable of 54.4\% - 75.4\% total data rejection, opening the possibility of using the pixel information at 40MHz for the trigger. The total power consumption of analog and digital functions per pixel is $\sim$ 6 $\mu$W per pixel, which corresponds to $\sim$ 1 W/cm$^2$ staying within the experimental constraints., Comment: IEEE NSS MIC RSTD 2024

The combinatorics of track seeding has long been a computational bottleneck for triggering and offline computing in High Energy Physics (HEP), and remains so for the HL-LHC. Next-generation pixel sensors will be sufficiently fine-grained to determine angular information of the charged particle passing through from pixel-cluster properties. This detector technology immediately improves the situation for offline tracking, but any major improvements in physics reach are unrealized since they are dominated by lowest-level hardware trigger acceptance. We will demonstrate track angle and hit position prediction, including errors, using a mixture density network within a single layer of silicon as well as the progress towards and status of implementing the neural network in hardware on both FPGAs and ASICs., Comment: 6 pages, 3 figures, submitted to Neural Information Processing Systems 2023 (NeurIPS)

Highly granular pixel detectors allow for increasingly precise measurements of charged particle tracks. Next-generation detectors require that pixel sizes will be further reduced, leading to unprecedented data rates exceeding those foreseen at the High Luminosity Large Hadron Collider. Signal processing that handles data incoming at a rate of O(40MHz) and intelligently reduces the data within the pixelated region of the detector at rate will enhance physics performance at high luminosity and enable physics analyses that are not currently possible. Using the shape of charge clusters deposited in an array of small pixels, the physical properties of the traversing particle can be extracted with locally customized neural networks. In this first demonstration, we present a neural network that can be embedded into the on-sensor readout and filter out hits from low momentum tracks, reducing the detector's data volume by 54.4-75.4%. The network is designed and simulated as a custom readout integrated circuit with 28 nm CMOS technology and is expected to operate at less than 300 $\mu W$ with an area of less than 0.2 mm$^2$. The temporal development of charge clusters is investigated to demonstrate possible future performance gains, and there is also a discussion of future algorithmic and technological improvements that could enhance efficiency, data reduction, and power per area.

In November 2022, the HEP Software Foundation and the Institute for Research and Innovation for Software in High-Energy Physics organized a workshop on the topic of Software Citation and Recognition in HEP. The goal of the workshop was to bring together different types of stakeholders whose roles relate to software citation, and the associated credit it provides, in order to engage the community in a discussion on: the ways HEP experiments handle citation of software, recognition for software efforts that enable physics results disseminated to the public, and how the scholarly publishing ecosystem supports these activities. Reports were given from the publication board leadership of the ATLAS, CMS, and LHCb experiments and HEP open source software community organizations (ROOT, Scikit-HEP, MCnet), and perspectives were given from publishers (Elsevier, JOSS) and related tool providers (INSPIRE, Zenodo). This paper summarizes key findings and recommendations from the workshop as presented at the 26th International Conference on Computing in High Energy and Nuclear Physics (CHEP 2023)., Comment: 7 pages, 2 listings. Contribution to the Proceedings of the 26th International Conference on Computing in High Energy and Nuclear Physics (CHEP 2023)

In-time particle trajectory reconstruction in the Large Hadron Collider is challenging due to the high collision rate and numerous particle hits. Using GNN (Graph Neural Network) on FPGA has enabled superior accuracy with flexible trajectory classification. However, existing GNN architectures have inefficient resource usage and insufficient parallelism for edge classification. This paper introduces a resource-efficient GNN architecture on FPGAs for low latency particle tracking. The modular architecture facilitates design scalability to support large graphs. Leveraging the geometric properties of hit detectors further reduces graph complexity and resource usage. Our results on Xilinx UltraScale+ VU9P demonstrate 1625x and 1574x performance improvement over CPU and GPU respectively.

Modern large-scale physics experiments create datasets with sizes and streaming rates that can exceed those from industry leaders such as Google Cloud and Netflix. Fully processing these datasets requires both sufficient compute power and efficient workflows. Recent advances in Machine Learning (ML) and Artificial Intelligence (AI) can either improve or replace existing domain-specific algorithms to increase workflow efficiency. Not only can these algorithms improve the physics performance of current algorithms, but they can often be executed more quickly, especially when run on coprocessors such as GPUs or FPGAs. In the winter of 2023, MIT hosted the Accelerating Physics with ML at MIT workshop, which brought together researchers from gravitational-wave physics, multi-messenger astrophysics, and particle physics to discuss and share current efforts to integrate ML tools into their workflows. The following white paper highlights examples of algorithms and computing frameworks discussed during this workshop and summarizes the expected computing needs for the immediate future of the involved fields., Comment: Whitepaper resulting from Accelerating Physics with ML@MIT workshop in Jan/Feb 2023

The findable, accessible, interoperable, and reusable (FAIR) data principles provide a framework for examining, evaluating, and improving how data is shared to facilitate scientific discovery. Generalizing these principles to research software and other digital products is an active area of research. Machine learning (ML) models -- algorithms that have been trained on data without being explicitly programmed -- and more generally, artificial intelligence (AI) models, are an important target for this because of the ever-increasing pace with which AI is transforming scientific domains, such as experimental high energy physics (HEP). In this paper, we propose a practical definition of FAIR principles for AI models in HEP and describe a template for the application of these principles. We demonstrate the template's use with an example AI model applied to HEP, in which a graph neural network is used to identify Higgs bosons decaying to two bottom quarks. We report on the robustness of this FAIR AI model, its portability across hardware architectures and software frameworks, and its interpretability., Comment: 34 pages, 9 figures, 10 tables

Multivariate techniques and machine learning models have found numerous applications in High Energy Physics (HEP) research over many years. In recent times, AI models based on deep neural networks are becoming increasingly popular for many of these applications. However, neural networks are regarded as black boxes -- because of their high degree of complexity it is often quite difficult to quantitatively explain the output of a neural network by establishing a tractable input-output relationship and information propagation through the deep network layers. As explainable AI (xAI) methods are becoming more popular in recent years, we explore interpretability of AI models by examining an Interaction Network (IN) model designed to identify boosted $H\to b\bar{b}$ jets amid QCD background. We explore different quantitative methods to demonstrate how the classifier network makes its decision based on the inputs and how this information can be harnessed to reoptimize the model-making it simpler yet equally effective. We additionally illustrate the activity of hidden layers within the IN model as Neural Activation Pattern (NAP) diagrams. Our experiments suggest NAP diagrams reveal important information about how information is conveyed across the hidden layers of deep model. These insights can be useful to effective model reoptimization and hyperparameter tuning., Comment: Contribution to Proceedings of 41st International Conference on High Energy Physics - ICHEP2022

Extracting scientific results from high-energy collider data involves the comparison of data collected from the experiments with synthetic data produced from computationally-intensive simulations. Comparisons of experimental data and predictions from simulations increasingly utilize machine learning (ML) methods to try to overcome these computational challenges and enhance the data analysis. There is increasing awareness about challenges surrounding interpretability of ML models applied to data to explain these models and validate scientific conclusions based upon them. The matrix element (ME) method is a powerful technique for analysis of particle collider data that utilizes an \textit{ab initio} calculation of the approximate probability density function for a collision event to be due to a physics process of interest. The ME method has several unique and desirable features, including (1) not requiring training data since it is an \textit{ab initio} calculation of event probabilities, (2) incorporating all available kinematic information of a hypothesized process, including correlations, without the need for feature engineering and (3) a clear physical interpretation in terms of transition probabilities within the framework of quantum field theory. These proceedings briefly describe an application of deep learning that dramatically speeds-up ME method calculations and novel cyberinfrastructure developed to execute ME-based analyses on heterogeneous computing platforms., Comment: 6 pages, 3 figures. Contribution to the Proceedings of the ICHEP 2022 Conference

Recent developments in the methods of explainable AI (XAI) allow researchers to explore the inner workings of deep neural networks (DNNs), revealing crucial information about input-output relationships and realizing how data connects with machine learning models. In this paper we explore interpretability of DNN models designed to identify jets coming from top quark decay in high energy proton-proton collisions at the Large Hadron Collider (LHC). We review a subset of existing top tagger models and explore different quantitative methods to identify which features play the most important roles in identifying the top jets. We also investigate how and why feature importance varies across different XAI metrics, how correlations among features impact their explainability, and how latent space representations encode information as well as correlate with physically meaningful quantities. Our studies uncover some major pitfalls of existing XAI methods and illustrate how they can be overcome to obtain consistent and meaningful interpretation of these models. We additionally illustrate the activity of hidden layers as Neural Activation Pattern (NAP) diagrams and demonstrate how they can be used to understand how DNNs relay information across the layers and how this understanding can help to make such models significantly simpler by allowing effective model reoptimization and hyperparameter tuning. These studies not only facilitate a methodological approach to interpreting models but also unveil new insights about what these models learn. Incorporating these observations into augmented model design, we propose the Particle Flow Interaction Network (PFIN) model and demonstrate how interpretability-inspired model augmentation can improve top tagging performance., Comment: Repository: https://github.com/FAIR4HEP/xAI4toptagger. Some figure cosmetics have been changed. Accepted at Machine Learning: Science and Technology

A foundational set of findable, accessible, interoperable, and reusable (FAIR) principles were proposed in 2016 as prerequisites for proper data management and stewardship, with the goal of enabling the reusability of scholarly data. The principles were also meant to apply to other digital assets, at a high level, and over time, the FAIR guiding principles have been re-interpreted or extended to include the software, tools, algorithms, and workflows that produce data. FAIR principles are now being adapted in the context of AI models and datasets. Here, we present the perspectives, vision, and experiences of researchers from different countries, disciplines, and backgrounds who are leading the definition and adoption of FAIR principles in their communities of practice, and discuss outcomes that may result from pursuing and incentivizing FAIR AI research. The material for this report builds on the FAIR for AI Workshop held at Argonne National Laboratory on June 7, 2022., Comment: 10 pages, comments welcome!; v2: 12 pages, accepted to Scientific Data

Research in the data-intensive discipline of high energy physics (HEP) often relies on domain-specific digital contents. Reproducibility of research relies on proper preservation of these digital objects. This paper reflects on the interpretation of principles of Findability, Accessibility, Interoperability, and Reusability (FAIR) in such context and demonstrates its implementation by describing the development of an end-to-end support infrastructure for preserving and accessing Universal FeynRules Output (UFO) models guided by the FAIR principles. UFO models are custom-made python libraries used by the HEP community for Monte Carlo simulation of collider physics events. Our framework provides simple but robust tools to preserve and access the UFO models and corresponding metadata in accordance with the FAIR principles.

The precise measurement of physics observables and the test of their consistency within the standard model (SM) are an invaluable approach, complemented by direct searches for new particles, to determine the existence of physics beyond the standard model (BSM). Studies of massive electroweak gauge bosons (W and Z bosons) are a promising target for indirect BSM searches, since the interactions of photons and gluons are strongly constrained by the unbroken gauge symmetries. They can be divided into two categories: (a) Fermion scattering processes mediated by s- or t-channel W/Z bosons, also known as electroweak precision measurements; and (b) multi-boson processes, which include production of two or more vector bosons in fermion-antifermion annihilation, as well as vector boson scattering (VBS) processes. The latter categories can test modifications of gauge-boson self-interactions, and the sensitivity is typically improved with increased collision energy. This report evaluates the achievable precision of a range of future experiments, which depend on the statistics of the collected data sample, the experimental and theoretical systematic uncertainties, and their correlations. In addition it presents a combined interpretation of these results, together with similar studies in the Higgs and top sector, in the Standard Model effective field theory (SMEFT) framework. This framework provides a model-independent prescription to put generic constraints on new physics and to study and combine large sets of experimental observables, assuming that the new physics scales are significantly higher than the EW scale., Comment: 55 pages; Report of the EF04 topical group for Snowmass 2021; v2: few typos corrected and references added

The growing role of data science (DS) and machine learning (ML) in high-energy physics (HEP) is well established and pertinent given the complex detectors, large data, sets and sophisticated analyses at the heart of HEP research. Moreover, exploiting symmetries inherent in physics data have inspired physics-informed ML as a vibrant sub-field of computer science research. HEP researchers benefit greatly from materials widely available materials for use in education, training and workforce development. They are also contributing to these materials and providing software to DS/ML-related fields. Increasingly, physics departments are offering courses at the intersection of DS, ML and physics, often using curricula developed by HEP researchers and involving open software and data used in HEP. In this white paper, we explore synergies between HEP research and DS/ML education, discuss opportunities and challenges at this intersection, and propose community activities that will be mutually beneficial., Comment: Contribution to Snowmass 2021

Neural Networks are ubiquitous in high energy physics research. However, these highly nonlinear parameterized functions are treated as \textit{black boxes}- whose inner workings to convey information and build the desired input-output relationship are often intractable. Explainable AI (xAI) methods can be useful in determining a neural model's relationship with data toward making it \textit{interpretable} by establishing a quantitative and tractable relationship between the input and the model's output. In this letter of interest, we explore the potential of using xAI methods in the context of problems in high energy physics., Comment: Contribution to Snowmass 2021

Machine learning (ML) is becoming an increasingly important component of cutting-edge physics research, but its computational requirements present significant challenges. In this white paper, we discuss the needs of the physics community regarding ML across latency and throughput regimes, the tools and resources that offer the possibility of addressing these needs, and how these can be best utilized and accessed in the coming years., Comment: Contribution to Snowmass 2021, 33 pages, 5 figures

Many physical systems can be best understood as sets of discrete data with associated relationships. Where previously these sets of data have been formulated as series or image data to match the available machine learning architectures, with the advent of graph neural networks (GNNs), these systems can be learned natively as graphs. This allows a wide variety of high- and low-level physical features to be attached to measurements and, by the same token, a wide variety of HEP tasks to be accomplished by the same GNN architectures. GNNs have found powerful use-cases in reconstruction, tagging, generation and end-to-end analysis. With the wide-spread adoption of GNNs in industry, the HEP community is well-placed to benefit from rapid improvements in GNN latency and memory usage. However, industry use-cases are not perfectly aligned with HEP and much work needs to be done to best match unique GNN capabilities to unique HEP obstacles. We present here a range of these capabilities, predictions of which are currently being well-adopted in HEP communities, and which are still immature. We hope to capture the landscape of graph techniques in machine learning as well as point out the most significant gaps that are inhibiting potentially large leaps in research., Comment: contribution to Snowmass 2021

We make the case for the systematic, reliable preservation of event-wise data, derived data products, and executable analysis code. This preservation enables the analyses' long-term future reuse, in order to maximise the scientific impact of publicly funded particle-physics experiments. We cover the needs of both the experimental and theoretical particle physics communities, and outline the goals and benefits that are uniquely enabled by analysis recasting and reinterpretation. We also discuss technical challenges and infrastructure needs, as well as sociological challenges and changes, and give summary recommendations to the particle-physics community., Comment: 25 pages, 4 sets of recommendations. Contribution to Snowmass 2021

Particle tracking is a challenging pattern recognition task at the Large Hadron Collider (LHC) and the High Luminosity-LHC. Conventional algorithms, such as those based on the Kalman Filter, achieve excellent performance in reconstructing the prompt tracks from the collision points. However, they require dedicated configuration and additional computing time to efficiently reconstruct the large radius tracks created away from the collision points. We developed an end-to-end machine learning-based track finding algorithm for the HL-LHC, the Exa.TrkX pipeline. The pipeline is designed so as to be agnostic about global track positions. In this work, we study the performance of the Exa.TrkX pipeline for finding large radius tracks. Trained with all tracks in the event, the pipeline simultaneously reconstructs prompt tracks and large radius tracks with high efficiencies. This new capability offered by the Exa.TrkX pipeline may enable us to search for new physics in real time., Comment: 5 pages, 3 figures. Proceedings of 20th International Workshop on Advanced Computing and Analysis Techniques in Physics Research

Even though jet substructure was not an original design consideration for the Large Hadron Collider (LHC) experiments, it has emerged as an essential tool for the current physics program. We examine the role of jet substructure on the motivation for and design of future energy frontier colliders. In particular, we discuss the need for a vibrant theory and experimental research and development program to extend jet substructure physics into the new regimes probed by future colliders. Jet substructure has organically evolved with a close connection between theorists and experimentalists and has catalyzed exciting innovations in both communities. We expect such developments will play an important role in the future energy frontier physics program.

Recently, graph neural networks (GNNs) have been successfully used for a variety of particle reconstruction problems in high energy physics, including particle tracking. The Exa.TrkX pipeline based on GNNs demonstrated promising performance in reconstructing particle tracks in dense environments. It includes five discrete steps: data encoding, graph building, edge filtering, GNN, and track labeling. All steps were written in Python and run on both GPUs and CPUs. In this work, we accelerate the Python implementation of the pipeline through customized and commercial GPU-enabled software libraries, and develop a C++ implementation for inferencing the pipeline. The implementation features an improved, CUDA-enabled fixed-radius nearest neighbor search for graph building and a weakly connected component graph algorithm for track labeling. GNNs and other trained deep learning models are converted to ONNX and inferenced via the ONNX Runtime C++ API. The complete C++ implementation of the pipeline allows integration with existing tracking software. We report the memory usage and average event latency tracking performance of our implementation applied to the TrackML benchmark dataset., Comment: Proceedings submission to ACAT2021 Conference, 7 pages

The determination of charged particle trajectories in collisions at the CERN Large Hadron Collider (LHC) is an important but challenging problem, especially in the high interaction density conditions expected during the future high-luminosity phase of the LHC (HL-LHC). Graph neural networks (GNNs) are a type of geometric deep learning algorithm that has successfully been applied to this task by embedding tracker data as a graph -- nodes represent hits, while edges represent possible track segments -- and classifying the edges as true or fake track segments. However, their study in hardware- or software-based trigger applications has been limited due to their large computational cost. In this paper, we introduce an automated translation workflow, integrated into a broader tool called $\texttt{hls4ml}$, for converting GNNs into firmware for field-programmable gate arrays (FPGAs). We use this translation tool to implement GNNs for charged particle tracking, trained using the TrackML challenge dataset, on FPGAs with designs targeting different graph sizes, task complexites, and latency/throughput requirements. This work could enable the inclusion of charged particle tracking GNNs at the trigger level for HL-LHC experiments., Comment: 28 pages, 17 figures, 1 table, published version

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific discovery. The material for the report builds on two workshops held by the Fast ML for Science community and covers three main areas: applications for fast ML across a number of scientific domains; techniques for training and implementing performant and resource-efficient ML algorithms; and computing architectures, platforms, and technologies for deploying these algorithms. We also present overlapping challenges across the multiple scientific domains where common solutions can be found. This community report is intended to give plenty of examples and inspiration for scientific discovery through integrated and accelerated ML solutions. This is followed by a high-level overview and organization of technical advances, including an abundance of pointers to source material, which can enable these breakthroughs., Comment: 66 pages, 13 figures, 5 tables

The statistical models used to derive the results of experimental analyses are of incredible scientific value and are essential information for analysis preservation and reuse. In this paper, we make the scientific case for systematically publishing the full statistical models and discuss the technical developments that make this practical. By means of a variety of physics cases -- including parton distribution functions, Higgs boson measurements, effective field theory interpretations, direct searches for new physics, heavy flavor physics, direct dark matter detection, world averages, and beyond the Standard Model global fits -- we illustrate how detailed information on the statistical modelling can enhance the short- and long-term impact of experimental results., Comment: 60 pages, 15 figures

To enable the reusability of massive scientific datasets by humans and machines, researchers aim to adhere to the principles of findability, accessibility, interoperability, and reusability (FAIR) for data and artificial intelligence (AI) models. This article provides a domain-agnostic, step-by-step assessment guide to evaluate whether or not a given dataset meets these principles. We demonstrate how to use this guide to evaluate the FAIRness of an open simulated dataset produced by the CMS Collaboration at the CERN Large Hadron Collider. This dataset consists of Higgs boson decays and quark and gluon background, and is available through the CERN Open Data Portal. We use additional available tools to assess the FAIRness of this dataset, and incorporate feedback from members of the FAIR community to validate our results. This article is accompanied by a Jupyter notebook to visualize and explore this dataset. This study marks the first in a planned series of articles that will guide scientists in the creation of FAIR AI models and datasets in high energy particle physics., Comment: 13 pages, 3 figures. v2: Accepted to Nature Scientific Data. Learn about the FAIR4HEP project at https://fair4hep.github.io. See our invited Behind the Paper Blog in Springer Nature Research Data Community at https://go.nature.com/3oMVYxo

One of the biggest challenges in the High-Luminosity LHC (HL- LHC) era will be the significantly increased data size to be recorded and analyzed from the collisions at the ATLAS and CMS experiments. ServiceX is a software R&D project in the area of Data Organization, Management and Access of the IRIS- HEP to investigate new computational models for the HL- LHC era. ServiceX is an experiment-agnostic service to enable on-demand data delivery specifically tailored for nearly-interactive vectorized analyses. It is capable of retrieving data from grid sites, on-the-fly data transformation, and delivering user-selected data in a variety of different formats. New features will be presented that make the service ready for public use. An ongoing effort to integrate ServiceX with a popular statistical analysis framework in ATLAS will be described with an emphasis of a practical implementation of ServiceX into the physics analysis pipeline., Comment: 8 pages, 3 figures, 2 listings, 1 table, submitted to the 25th International Conference on Computing in High Energy & Nuclear Physics

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/

Recent work has demonstrated that geometric deep learning methods such as graph neural networks (GNNs) are well suited to address a variety of reconstruction problems in high energy particle physics. In particular, particle tracking data is naturally represented as a graph by identifying silicon tracker hits as nodes and particle trajectories as edges; given a set of hypothesized edges, edge-classifying GNNs identify those corresponding to real particle trajectories. In this work, we adapt the physics-motivated interaction network (IN) GNN toward the problem of particle tracking in pileup conditions similar to those expected at the high-luminosity Large Hadron Collider. Assuming idealized hit filtering at various particle momenta thresholds, we demonstrate the IN's excellent edge-classification accuracy and tracking efficiency through a suite of measurements at each stage of GNN-based tracking: graph construction, edge classification, and track building. The proposed IN architecture is substantially smaller than previously studied GNN tracking architectures; this is particularly promising as a reduction in size is critical for enabling GNN-based tracking in constrained computing environments. Furthermore, the IN may be represented as either a set of explicit matrix operations or a message passing GNN. Efforts are underway to accelerate each representation via heterogeneous computing resources towards both high-level and low-latency triggering applications., Comment: This is a post-peer-review, pre-copyedit version of this article. The final authenticated version is available online at: https://doi.org/10.1007/s41781-021-00073-z

The Exa.TrkX project has applied geometric learning concepts such as metric learning and graph neural networks to HEP particle tracking. Exa.TrkX's tracking pipeline groups detector measurements to form track candidates and filters them. The pipeline, originally developed using the TrackML dataset (a simulation of an LHC-inspired tracking detector), has been demonstrated on other detectors, including DUNE Liquid Argon TPC and CMS High-Granularity Calorimeter. This paper documents new developments needed to study the physics and computing performance of the Exa.TrkX pipeline on the full TrackML dataset, a first step towards validating the pipeline using ATLAS and CMS data. The pipeline achieves tracking efficiency and purity similar to production tracking algorithms. Crucially for future HEP applications, the pipeline benefits significantly from GPU acceleration, and its computational requirements scale close to linearly with the number of particles in the event.

We develop and study FPGA implementations of algorithms for charged particle tracking based on graph neural networks. The two complementary FPGA designs are based on OpenCL, a framework for writing programs that execute across heterogeneous platforms, and hls4ml, a high-level-synthesis-based compiler for neural network to firmware conversion. We evaluate and compare the resource usage, latency, and tracking performance of our implementations based on a benchmark dataset. We find a considerable speedup over CPU-based execution is possible, potentially enabling such algorithms to be used effectively in future computing workflows and the FPGA-based Level-1 trigger at the CERN Large Hadron Collider., Comment: 8 pages, 4 figures, To appear in Third Workshop on Machine Learning and the Physical Sciences (NeurIPS 2020)

New facilities of the 2020s, such as the High Luminosity Large Hadron Collider (HL-LHC), will be relevant through at least the 2030s. This means that their software efforts and those that are used to analyze their data need to consider sustainability to enable their adaptability to new challenges, longevity, and efficiency, over at least this period. This will help ensure that this software will be easier to develop and maintain, that it remains available in the future on new platforms, that it meets new needs, and that it is as reusable as possible. This report discusses a virtual half-day workshop on "Software Sustainability and High Energy Physics" that aimed 1) to bring together experts from HEP as well as those from outside to share their experiences and practices, and 2) to articulate a vision that helps the Institute for Research and Innovation in Software for High Energy Physics (IRIS-HEP) to create a work plan to implement elements of software sustainability. Software sustainability practices could lead to new collaborations, including elements of HEP software being directly used outside the field, and, as has happened more frequently in recent years, to HEP developers contributing to software developed outside the field rather than reinventing it. A focus on and skills related to sustainable software will give HEP software developers an important skill that is essential to careers in the realm of software, inside or outside HEP. The report closes with recommendations to improve software sustainability in HEP, aimed at the HEP community via IRIS-HEP and the HEP Software Foundation (HSF)., Comment: A report from the "Sustainable Software in HEP" IRIS-HEP blueprint workshop: https://indico.cern.ch/event/930127/

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 Scalable Systems Laboratory (SSL), part of the IRIS-HEP Software Institute, provides Institute participants and HEP software developers generally with a means to transition their R&D from conceptual toys to testbeds to production-scale prototypes. The SSL enables tooling, infrastructure, and services supporting the innovation of novel analysis and data architectures, development of software elements and tool-chains, reproducible functional and scalability testing of service components, and foundational systems R&D for accelerated services developed by the Institute. The SSL is constructed with a core team having expertise in scale testing and deployment of services across a wide range of cyberinfrastructure. The core team embeds and partners with other areas in the Institute, and with LHC and other HEP development and operations teams as appropriate, to define investigations and required service deployment patterns. We describe the approach and experiences with early application deployments, including analysis platforms and intelligent data delivery systems.

Multi-messenger astrophysics is a fast-growing, interdisciplinary field that combines data, which vary in volume and speed of data processing, from many different instruments that probe the Universe using different cosmic messengers: electromagnetic waves, cosmic rays, gravitational waves and neutrinos. In this Expert Recommendation, we review the key challenges of real-time observations of gravitational wave sources and their electromagnetic and astroparticle counterparts, and make a number of recommendations to maximize their potential for scientific discovery. These recommendations refer to the design of scalable and computationally efficient machine learning algorithms; the cyber-infrastructure to numerically simulate astrophysical sources, and to process and interpret multi-messenger astrophysics data; the management of gravitational wave detections to trigger real-time alerts for electromagnetic and astroparticle follow-ups; a vision to harness future developments of machine learning and cyber-infrastructure resources to cope with the big-data requirements; and the need to build a community of experts to realize the goals of multi-messenger astrophysics., Comment: Invited Expert Recommendation for Nature Reviews Physics. The art work produced by E. A. Huerta and Shawn Rosofsky for this article was used by Carl Conway to design the cover of the October 2019 issue of Nature Reviews Physics

In modern High Energy Physics (HEP) experiments visualization of experimental data has a key role in many activities and tasks across the whole data chain: from detector development to monitoring, from event generation to reconstruction of physics objects, from detector simulation to data analysis, and all the way to outreach and education. In this paper, the definition, status, and evolution of data visualization for HEP experiments will be presented. Suggestions for the upgrade of data visualization tools and techniques in current experiments will be outlined, along with guidelines for future experiments. This paper expands on the summary content published in the HSF \emph{Roadmap} Community White Paper~\cite{HSF-CWP-2017-01}

The advent of experimental science facilities-instruments and observatories, such as the Large Hadron Collider, the Laser Interferometer Gravitational Wave Observatory, and the upcoming Large Synoptic Survey Telescope-has brought about challenging, large-scale computational and data processing requirements. Traditionally, the computing infrastructure to support these facility's requirements were organized into separate infrastructure that supported their high-throughput needs and those that supported their high-performance computing needs. We argue that to enable and accelerate scientific discovery at the scale and sophistication that is now needed, this separation between high-performance computing and high-throughput computing must be bridged and an integrated, unified infrastructure provided. In this paper, we discuss several case studies where such infrastructure has been implemented. These case studies span different science domains, software systems, and application requirements as well as levels of sustainability. A further aim of this paper is to provide a basis to determine the common characteristics and requirements of such infrastructure, as well as to begin a discussion of how best to support the computing requirements of existing and future experimental science facilities., Comment: 13 pages, 7 figures. Accepted to Computing and Software for Big Science

Software container solutions have revolutionized application development approaches by enabling lightweight platform abstractions within the so-called "containers." Several solutions are being actively developed in attempts to bring the benefits of containers to high-performance computing systems with their stringent security demands on the one hand and fundamental resource sharing requirements on the other. In this paper, we discuss the benefits and short-comings of such solutions when deployed on real HPC systems and applied to production scientific applications.We highlight use cases that are either enabled by or significantly benefit from such solutions. We discuss the efforts by HPC system administrators and support staff to support users of these type of workloads on HPC systems not initially designed with these workloads in mind focusing on NCSA's Blue Waters system., Comment: 8 pages, 7 figures, in PEARC '18: Proceedings of Practice and Experience in Advanced Research Computing, July 22--26, 2018, Pittsburgh, PA, USA

The rapid evolution of technology and the parallel increasing complexity of algorithmic analysis in HEP requires developers to acquire a much larger portfolio of programming skills. Young researchers graduating from universities worldwide currently do not receive adequate preparation in the very diverse fields of modern computing to respond to growing needs of the most advanced experimental challenges. There is a growing consensus in the HEP community on the need for training programmes to bring researchers up to date with new software technologies, in particular in the domains of concurrent programming and artificial intelligence. We review some of the initiatives under way for introducing new training programmes and highlight some of the issues that need to be taken into account for these to be successful.

Machine learning has been applied to several problems in particle physics research, beginning with applications to high-level physics analysis in the 1990s and 2000s, followed by an explosion of applications in particle and event identification and reconstruction in the 2010s. In this document we discuss promising future research and development areas for machine learning in particle physics. We detail a roadmap for their implementation, software and hardware resource requirements, collaborative initiatives with the data science community, academia and industry, and training the particle physics community in data science. The main objective of the document is to connect and motivate these areas of research and development with the physics drivers of the High-Luminosity Large Hadron Collider and future neutrino experiments and identify the resource needs for their implementation. Additionally we identify areas where collaboration with external communities will be of great benefit., Comment: Editors: Sergei Gleyzer, Paul Seyfert and Steven Schramm

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