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CaloQVAE for electromagnetic shower synthetic data generation in the ATLAS calorimeter

Wojciech T. Fedorko

Published Sep 25, 2026• 0 citations
OpenAlex

Abstract

As CERN approaches the High-Luminosity LHC (HL-LHC) run, the computational cost of first-principles detector simulation has become a critical bottleneck, with projections indicating millions of CPU-years required to generate the necessary Monte Carlo datasets — a substantial share of which is consumed by calorimeter shower simulation. Building on our earlier proof-of-concept demonstrating Quantum-assisted Generative AI for synthetic calorimetry data generation, we present what is, to our knowledge, the first full-scale demonstration of this approach applied to ATLAS detector simulated data. Our model couples a Restricted Boltzmann Machine (RBM), mapped onto the logical qubit topology of D-Wave's quantum annealing processor, with a deep generative architecture to produce realistically scaled calorimeter showers. We extend our earlier framework with several techniques critical to scaling the approach to production-grade ATLAS geometry and granularity: advanced prior conditioning strategies, Spin Reversal Transforms to mitigate intrinsic qubit biases, orbit averaging to reduce sampling noise, and QPU-aware weight normalization to stabilize the sampling process. We show how these advances yield quantum processor generated calorimeter datasets that maintain high fidelity in physics features relative to first-principles GEANT4 simulation while promising substantial improvements in generation throughput over both traditional simulation and purely classical deep learning generative models. We discuss the implications of these results for scaling quantum-assisted generative modeling to full ATLAS fast-simulation pipelines ahead of the HL-LHC era.

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As CERN approaches the High-Luminosity LHC (HL-LHC) run, the computational cost of first-principles detector simulation has become a critical bottleneck, with projections indicating millions of CPU-years required to generate the necessary Monte Carlo datasets — a substantial share of which is consumed by calorimeter shower simulation. Building on our earlier proof-of-concept demonstrating Quantum-assisted Generative AI for synthetic calorimetry data generation, we present what is, to our knowledge, the first full-scale demonstration of this approach applied to ATLAS detector simulated data. Our model couples a Restricted Boltzmann Machine (RBM), mapped onto the logical qubit topology of D-Wave's quantum annealing processor, with a deep generative architecture to produce realistically scaled calorimeter showers. We extend our earlier framework with several techniques critical to scaling the approach to production-grade ATLAS geometry and granularity: advanced prior conditioning strategies, Spin Reversal Transforms to mitigate intrinsic qubit biases, orbit averaging to reduce sampling noise, and QPU-aware weight normalization to stabilize the sampling process. We show how these advances yield quantum processor generated calorimeter datasets that maintain high fidelity in physics features relative to first-principles GEANT4 simulation while promising substantial improvements in generation throughput over both traditional simulation and purely classical deep learning generative models. We discuss the implications of these results for scaling quantum-assisted generative modeling to full ATLAS fast-simulation pipelines ahead of the HL-LHC era.
As CERN approaches the launch of the High Luminosity Large Hadron Collider (HL-LHC) by the decade’s end, the computational demands of traditional simulations have become untenably high. Projections show millions of CPU-years required to create simulated datasets - with a substantial fraction of CPU time devoted to calorimetric simulations. This presents unique opportunities for breakthroughs in computational physics. We show how Quantumassisted Generative AI can be used for the purpose of creating synthetic, realistically scaled calorimetry dataset. The model is constructed by combining D-Wave’s Quantum Annealer processor with a Deep Learning architecture, increasing the timing performance with respect to first principles simulations and Deep Learning models alone, while maintaining current state-of-the-art data quality
As CERN approaches the launch of the High Luminosity Large Hadron Collider (HL-LHC) by the decade’s end, the computational demands of traditional simulations have become untenably high. Projections show millions of CPU-years required to create simulated datasets - with a substantial fraction of CPU time devoted to calorimetric simulations. This presents unique opportunities for breakthroughs in computational physics. We show how Quantumassisted Generative AI can be used for the purpose of creating synthetic, realistically scaled calorimetry dataset. The model is constructed by combining D-Wave’s Quantum Annealer processor with a Deep Learning architecture, increasing the timing performance with respect to first principles simulations and Deep Learning models alone, while maintaining current state-of-the-art data quality
With the approach of the High Luminosity Large Hadron Collider (HL-LHC) era set to begin particle collisions by the end of this decade, it is evident that the computational demands of traditional collision simulation methods are becoming increasingly unsustainable. Existing approaches, which rely heavily on first-principles Monte Carlo simulations for modeling event showers in calorimeters, are projected to require millions of CPU-years annually -- far exceeding current computational capacities. This bottleneck presents an exciting opportunity for advancements in computational physics by integrating deep generative models with quantum simulations. We propose a quantum-assisted hierarchical deep generative surrogate founded on a variational autoencoder (VAE) in combination with an energy conditioned restricted Boltzmann machine (RBM) embedded in the model's latent space as a prior. By mapping the topology of D-Wave's Zephyr quantum annealer (QA) into the nodes and couplings of a 4-partite RBM, we leverage quantum simulation to accelerate our shower generation times significantly. To evaluate our framework, we use Dataset 2 of the CaloChallenge 2022. Through the integration of classical computation and quantum simulation, this hybrid framework paves way for utilizing large-scale quantum simulations as priors in deep generative models.
Particle collisions at accelerators like the Large Hadron Collider (LHC), recorded by experiments such as ATLAS and CMS, enable precise standard model measurements and searches for new phenomena. Simulating these collisions significantly influences experiment design and analysis but incurs immense computational costs, projected at millions of CPU-years annually during the high luminosity LHC (HL-LHC) phase. Currently, simulating a single event with Geant4 consumes around 1000 CPU seconds, with calorimeter simulations especially demanding. To address this, we propose a conditioned quantum-assisted generative model, integrating a conditioned variational autoencoder (VAE) and a conditioned restricted Boltzmann machine (RBM). Our RBM architecture is tailored for D-Wave's Pegasus-structured advantage quantum annealer for sampling, leveraging the flux bias for conditioning. This approach combines classical RBMs as universal approximators for discrete distributions with quantum annealing's speed and scalability. We also introduce an adaptive method for efficiently estimating effective inverse temperature, and validate our framework on Dataset 2 of CaloChallenge.
The fast calorimeter simulation is a critical computational bottleneck for the ATLAS experiment atthe High-Luminosity LHC and for the design of future colliders. Invertible Neural Networks (INNs) andnormalizingflowshavedemonstratedimpressiveaccuracyasgenerativemodelsforcalorimeter shower simulation, forming the backbone of the emerging FastCaloSim framework. In this work we explore the extension of this classical approach toward quantum-conditioned invertible neural networks (qINN). We present the conceptual motivation, discuss the fundamental tension between the unitarity of quantum circuits and the irreversibility of projective measurement, and out line two complementary solution strategies. As a first feasibility study we implement a hybrid architectureinwhichasmallquantumcircuitreplacestheclassicalconditioningsub-network inside an otherwise classicalINN, trained on ATLAS Open-Data pion showers from the FastCalorimeter Challenge dataset. The preliminary results, obtained with a 6-qubit, 2-layer variational ansatz, show encouraging convergence and motivate further optimisation. The work is a feasibility study; no definitive performance claims are made.
Quantum Computing has emerged as a viable alternative to classical computing for a number of different tasks, with the idea of a potential speedup in mind. One of the most promising fields of research in quantum computing is Quantum Machine Learning. An interesting area of application for Quantum Machine Learning can be found in High Energy Physics: one key component of creating experiments in a particle accelerator like the Large Hadron Collider is the simulation of those experiments beforehand, in order to gain a better understanding of the results actually measured. Those types of simulations, typically based on Monte-Carlo methods, require significant computing resources and, as we approach CERN's High Luminosity Phase, there is a strong need for more efficient and cost controlled simulations. In this thesis a model based on Quantum Generative Adversarial Networks (QGANs) is implemented, with the intention of exploring potential quantum computing advantages within a hybrid machine learning model that is tasked with the generation of calorimeter samples. The model is initially trained on an ideal simulator to ensure that the results are comparable to those of a similar classical model. Finally, the model is modified in order to effectively run on a real quantum device and the training is executed in its entirety on a 54-qubit quantum processor.