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Peter McKeown

Publications and source records attributed to Peter McKeown.

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Jevons' Paradox and Fast Generative Simulation for HEP: Why Realistic Benchmarking is Essential

Simulation is a major computational expense in HEP, and calorimeter simulation in particular drives the overall energy cost of our physics analyses. Future detectors will contain more finely grained calorimeters than ever, and their data analyses will demand unprecedented simulated statistics. Fast generative models redefine what is possible, producing simulations 100 times more efficiently. This article addresses Jevons' paradox in our field and considers the importance of realistic metrics in achieving "true" efficiency.

hep-ex

Transferable Fast Calorimeter Shower Generation via Multi-Geometry Pre-training

Detailed Geant4 simulation of calorimeter showers dominates the computing budget of high-energy physics experiments. Deep generative surrogates reduce this cost, but they have remained tied to the detector they were trained on, so each new geometry needs a large in-domain dataset. We study whether a single point cloud shower generator can be pre-trained on multiple detectors and transferred to unseen calorimeters. The pre-training geometries come from synthetic geometric variation rather than real-detector data. We introduce SimpleBox, a family of $10^4$ box calorimeters spanning the plane of sampling fraction and longitudinal segmentation, and benchmark it against pre-training on realistic detectors. On a calorimeter unseen in pre-training, with $10^3$ target showers for fine-tuning, the two priors reduce the aggregated sliced Wasserstein distance to Geant4 by factors of 5.2 (synthetic) and 8.0 (realistic) relative to training from scratch. At larger target sizes the synthetic prior performs better than the realistic one. Geometric diversity alone is therefore a practical way to pre-train a transferable shower generator.

physics.ins-det

CaloClouds3: Ultra-Fast Geometry-Independent Highly-Granular Calorimeter Simulation

We present CaloClouds3, a model for the fast simulation of photon showers in the barrel of a high granularity detector. This iteration demonstrates for the first time how a pointcloud model can employ angular conditioning to replicate photons at all incident angles. Showers produced by this model can be used across the whole detector barrel, due to specially produced position agnostic training data. With this flexibility, the model is usable in a full simulation and reconstruction chain, which offers a further handle for evaluating physics performance of the model. As inference time is a crucial consideration for a generative model, the pre-processing and hyperparameters are aggressively optimised, achieving a speed up factor of two orders of magnitude over Geant4 at inference.

physics.ins-det

CaloHadronic: a diffusion model for the generation of hadronic showers

Simulating showers of particles in highly-granular calorimeters is a key frontier in the application of machine learning to particle physics. Achieving high accuracy and speed with generative machine learning models can enable them to augment traditional simulations and alleviate a major computing constraint. Recent developments have shown how diffusion based generative shower simulation approaches that do not rely on a fixed structure, but instead generate geometry-independent point clouds, are very efficient. We present a transformer-based extension to previous architectures which were developed for simulating electromagnetic showers in the highly granular electromagnetic calorimeter of the International Large Detector, ILD. The attention mechanism now allows us to generate complex hadronic showers with more pronounced substructure across both the electromagnetic and hadronic calorimeters. This is the first time that machine learning methods are used to holistically generate showers across the electromagnetic and hadronic calorimeter in highly granular imaging calorimeter systems.

physics.ins-det

A First Full Physics Benchmark for Highly Granular Calorimeter Surrogates

The physics programs of current and future collider experiments necessitate the development of surrogate simulators for calorimeter showers. While much progress has been made in the development of generative models for this task, they have typically been evaluated in simplified scenarios and for single particles. This is particularly true for the challenging task of highly granular calorimeter simulation. For the first time, this work studies the use of highly granular generative calorimeter surrogates in a realistic simulation application. We introduce DDML, a generic library which enables the combination of generative calorimeter surrogates with realistic detectors implemented using the DD4hep toolkit. We compare two different generative models - one operating on a regular grid representation, and the other using a less common point cloud approach. In order to disentangle methodological details from model performance, we provide comparisons to idealized simulators which directly sample representations of different resolutions from the full simulation ground-truth. We then systematically evaluate model performance on post-reconstruction benchmarks for electromagnetic shower simulation. Beginning with a typical single particle study, we introduce a first multi-particle benchmark based on di-photon separations, before studying a first full-physics benchmark based on hadronic decays of the tau lepton. Our results indicate that models operating on a point cloud can achieve a favorable balance between speed and accuracy for highly granular calorimeter simulation compared to those which operate on a regular grid representation.

hep-ex

CaloChallenge 2022: A Community Challenge for Fast Calorimeter Simulation

We present the results of the "Fast Calorimeter Simulation Challenge 2022" - the CaloChallenge. We study state-of-the-art generative models on four calorimeter shower datasets of increasing dimensionality, ranging from a few hundred voxels to a few tens of thousand voxels. The 31 individual submissions span a wide range of current popular generative architectures, including Variational AutoEncoders (VAEs), Generative Adversarial Networks (GANs), Normalizing Flows, Diffusion models, and models based on Conditional Flow Matching. We compare all submissions in terms of quality of generated calorimeter showers, as well as shower generation time and model size. To assess the quality we use a broad range of different metrics including differences in 1-dimensional histograms of observables, KPD/FPD scores, AUCs of binary classifiers, and the log-posterior of a multiclass classifier. The results of the CaloChallenge provide the most complete and comprehensive survey of cutting-edge approaches to calorimeter fast simulation to date. In addition, our work provides a uniquely detailed perspective on the important problem of how to evaluate generative models. As such, the results presented here should be applicable for other domains that use generative AI and require fast and faithful generation of samples in a large phase space.

physics.ins-det

LEMURS dataset: Large-scale multi-detector ElectroMagnetic Universal Representation of Showers

We present LEMURS: an extensive dataset of simulated calorimeter showers designed to support the development and benchmarking of fast simulation methods in high-energy physics, most notably providing a step towards the development of foundation models. This new dataset is more robust than the well-established CaloChallenge dataset 2, featuring substantially greater statistics, a wider range of incident angles in the detector, and most crucially multiple detector geometries (including more realistic calorimeters). The dataset is provided in HDF5 format, with a file structure inspired by the CaloChallenge shower representation while also including more variables. LEMURS scale and diversity make it particularly suitable for development of foundation models and has been used in the CaloDiT-2 model, a pre-trained model released in the community standard simulation toolkit Geant4 (version 11.4.beta). All data and code for generation and analysis are openly accessible, facilitating reproducibility and reuse across the community.

physics.ins-det

step2point dataset: Detailed shower simulation for data representation studies

This dataset contains a detailed simulation output that allows the construction and study of different data representations for electromagnetic and hadronic showers in calorimeters. It is published so that optimal data representations can be studied, with the ultimate goal of constructing a general tool that takes detailed simulation output and translates it into an optimal representation that can serve as the input to surrogate simulators based on generative models.

hep-ex

A Generalisable Generative Model for Multi-Detector Calorimeter Simulation

Collider experiments, such as those at the Large Hadron Collider, use the Geant4 toolkit to simulate particle-detector interactions with high accuracy. However, these experiments increasingly require larger amounts of simulated data, leading to huge computing cost. Generative machine learning methods could offer much faster calorimeter shower simulations by directly emulating detector responses. In this work, we present CaloDiT-2, a diffusion model which uses transformer blocks. As is the case for other models explored for this task, it can be applied to specific geometries, however its true strength lies in its generalisation capabilities. Our approach allows pre-training on multiple detectors and rapid adaptation to new ones, which we demonstrate on the LEMURS dataset. It reduces the effort required to develop accurate models for novel detectors or detectors which are under development and have geometries that are changed frequently, requiring up to 25x less data and 20x less training time. To the best of our knowledge, this is the first pre-trained model to be published that allows adaptation in the context of particle shower simulations, with the model also included in the Geant4 toolkit. We also present results on benchmarks on Dataset-2 from the community-hosted CaloChallenge, showing that our models provide one of the best tradeoffs between accuracy and speed from the published models. Our contributions include a mechanism for the creation of detector-agnostic data representations, architectural modifications suitable for the data modality, a pre-training and adaptation strategy, and publicly released datasets and pre-trained models for broad use.

physics.ins-det

CaloClouds II: Ultra-Fast Geometry-Independent Highly-Granular Calorimeter Simulation

Fast simulation of the energy depositions in high-granular detectors is needed for future collider experiments with ever-increasing luminosities. Generative machine learning (ML) models have been shown to speed up and augment the traditional simulation chain in physics analysis. However, the majority of previous efforts were limited to models relying on fixed, regular detector readout geometries. A major advancement is the recently introduced CaloClouds model, a geometry-independent diffusion model, which generates calorimeter showers as point clouds for the electromagnetic calorimeter of the envisioned International Large Detector (ILD). In this work, we introduce CaloClouds II which features a number of key improvements. This includes continuous time score-based modelling, which allows for a 25-step sampling with comparable fidelity to CaloClouds while yielding a $6\times$ speed-up over Geant4 on a single CPU ($5\times$ over CaloClouds). We further distill the diffusion model into a consistency model allowing for accurate sampling in a single step and resulting in a $46\times$ ($37\times$ over CaloClouds) speed-up. This constitutes the first application of consistency distillation for the generation of calorimeter showers.

physics.ins-det

CaloClouds: Fast Geometry-Independent Highly-Granular Calorimeter Simulation

Simulating showers of particles in highly-granular detectors is a key frontier in the application of machine learning to particle physics. Achieving high accuracy and speed with generative machine learning models would enable them to augment traditional simulations and alleviate a major computing constraint. This work achieves a major breakthrough in this task by, for the first time, directly generating a point cloud of a few thousand space points with energy depositions in the detector in 3D space without relying on a fixed-grid structure. This is made possible by two key innovations: i) Using recent improvements in generative modeling we apply a diffusion model to generate photon showers as high-cardinality point clouds. ii) These point clouds of up to $6,000$ space points are largely geometry-independent as they are down-sampled from initial even higher-resolution point clouds of up to $40,000$ so-called Geant4 steps. We showcase the performance of this approach using the specific example of simulating photon showers in the planned electromagnetic calorimeter of the International Large Detector (ILD) and achieve overall good modeling of physically relevant distributions.

physics.ins-det

New Angles on Fast Calorimeter Shower Simulation

The demands placed on computational resources by the simulation requirements of high energy physics experiments motivate the development of novel simulation tools. Machine learning based generative models offer a solution that is both fast and accurate. In this work we extend the Bounded Information Bottleneck Autoencoder (BIB-AE) architecture, designed for the simulation of particle showers in highly granular calorimeters, in two key directions. First, we generalise the model to a multi-parameter conditioning scenario, while retaining a high degree of physics fidelity. In a second step, we perform a detailed study of the effect of applying a state-of-the-art particle flow-based reconstruction procedure to the generated showers. We demonstrate that the performance of the model remains high after reconstruction. These results are an important step towards creating a more general simulation tool, where maintaining physics performance after reconstruction is the ultimate target.

physics.ins-det

Hadrons, Better, Faster, Stronger

Motivated by the computational limitations of simulating interactions of particles in highly-granular detectors, there exists a concerted effort to build fast and exact machine-learning-based shower simulators. This work reports progress on two important fronts. First, the previously investigated WGAN and BIB-AE generative models are improved and successful learning of hadronic showers initiated by charged pions in a segment of the hadronic calorimeter of the International Large Detector (ILD) is demonstrated for the first time. Second, we consider how state-of-the-art reconstruction software applied to generated shower energies affects the obtainable energy response and resolution. While many challenges remain, these results constitute an important milestone in using generative models in a realistic setting.

physics.ins-det