arXiv subjects

Max Aehle

Publications and source records attributed to Max Aehle.

16 recordsLinked to original sources

arXiv2026

Exploring the Boundaries of Differentiable Radiation Transport and Detector Simulation

We present an application of automatic differentiation for particle transport through matter using a Geant4-like radiation transport simulation with a full electromagnetic physics model. When differentiating this step-based transport, we observe exploding gradients driven by rare but extreme sensitivities at material boundaries, which propagate through subsequent transport and shower development. To obtain usable derivatives for optimization, we introduce a targeted mitigation strategy that stops gradient propagation through boundary-crossing operations under identifiable unstable conditions while leaving the forward (primal) simulation unchanged. We demonstrate that this enables stable, optimization-ready gradients in a detector-design problem.

physics.ins-det↗

arXiv2025

Neuromorphic Readout for Hadron Calorimeters

We simulate hadrons impinging on a homogeneous lead-tungstate (PbWO4) calorimeter to investigate how the resulting light yield and its temporal structure, as detected by an array of light-sensitive sensors, can be processed by a neuromorphic computing system. Our model encodes temporal photon distributions as spike trains and employs a fully connected spiking neural network to estimate the total deposited energy, as well as the position and spatial distribution of the light emissions within the sensitive material. The extracted primitives offer valuable topological information about the shower development in the material, achieved without requiring a segmentation of the active medium. A potential nanophotonic implementation using III-V semiconductor nanowires is discussed. It can be both fast and energy efficient.

hep-ex↗

arXiv2025

Hadron Identification Prospects With Granular Calorimeters

In this work we consider the problem of determining the identity of hadrons at high energies based on the topology of their energy depositions in dense matter, along with the time of the interactions. Using GEANT4 simulations of a homogeneous lead tungstate calorimeter with high transverse and longitudinal segmentation, we investigated the discrimination of protons, positive pions, and positive kaons at 100 GeV. The analysis focuses on the impact of calorimeter granularity by progressively merging detector cells and extracting features like energy deposition patterns andtiming information. Two machine learning approaches, XGBoost and fully connected deep neural networks, were employed to assess the classification performance across particle pairs. The results indicate that fine segmentation improves particle discrimination, with higher granularity yielding more detailed characterization of energy showers. Additionally, the results highlight the importance of shower radius, energy fractions, and timing variables in distinguishing particle types. The XGBoost model demonstrated computational efficiency and interpretability advantages over deep learning for tabular data structures, while achieving similar classification performance. This motivates further work required to combine high- and low-level feature analysis, e.g., using convolutional and graph-based neural networks, and extending the study to a broader range of particle energies and types.

physics.ins-det↗

arXiv2025

End-to-End Detector Optimization with Diffusion models: A Case Study in Sampling Calorimeters

Recent advances in machine learning have opened new avenues for optimizing detector designs in high-energy physics, where the complex interplay of geometry, materials, and physics processes has traditionally posed a significant challenge. In this work, we introduce the $\textit{end-to-end}$ AI Detector Optimization framework (AIDO) that leverages a diffusion model as a surrogate for the full simulation and reconstruction chain, enabling gradient-based design exploration in both continuous and discrete parameter spaces. Although this framework is applicable to a broad range of detectors, we illustrate its power using the specific example of a sampling calorimeter, focusing on charged pions and photons as representative incident particles. Our results demonstrate that the diffusion model effectively captures critical performance metrics for calorimeter design, guiding the automatic search for layer arrangement and material composition that aligns with known calorimeter principles. The success of this proof-of-concept study provides a foundation for future applications of end-to-end optimization to more complex detector systems, offering a promising path toward systematically exploring the vast design space in next-generation experiments.

physics.ins-det↗

arXiv2025

On the Utility Function of Experiments in Fundamental Science

The majority of experiments in fundamental science today are designed to be multi-purpose: their aim is not simply to measure a single physical quantity or process, but rather to enable increased precision in the measurement of a number of different observable quantities of a natural system, to extend the search for new phenomena, or to exclude a larger phase space of candidate theories. Most of the time, a combination of the above goals is pursued; this breadth of scope adds a layer of complexity to the already demanding task of designing the measurement apparatus in an optimal way, by defining suitable geometries and choosing the most advantageous materials and appropriate detection technologies. The precise definition of a global optimality criterion may then require experimentalists to find a consensus on the relative scientific worth of those goals. In this work, we discuss the problem of formulating a utility function for multipurpose experiments, as an enabling step to employ artificial intelligence tools to explore the design space and assist humans in finding solutions at the Pareto front.

hep-ex↗

arXiv2024

Efficient Forward-Mode Algorithmic Derivatives of Geant4

We have applied an operator-overloading forward-mode algorithmic differentiation tool to the Monte-Carlo particle simulation toolkit Geant4. Our differentiated version of Geant4 allows computing mean pathwise derivatives of user-defined outputs of Geant4 applications with respect to user-defined inputs. This constitutes a major step towards enabling gradient-based optimization techniques in high-energy physics, as well as other application domains of Geant4. This is a preliminary report on the technical aspects of applying operator-overloading AD to Geant4, as well as a first analysis of some results obtained by our differentiated Geant4 prototype. We plan to follow up with a more refined analysis.

physics.comp-ph↗

arXiv2024

Optimization Using Pathwise Algorithmic Derivatives of Electromagnetic Shower Simulations

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.

physics.comp-ph↗

arXiv2024

Hybrid parallel discrete adjoints in SU2

The open-source multiphysics suite SU2 features discrete adjoints by means of operator overloading automatic differentiation (AD). While both primal and discrete adjoint solvers support MPI parallelism, hybrid parallelism using both MPI and OpenMP has only been introduced for the primal solvers so far. In this work, we enable hybrid parallel discrete adjoint solvers. Coupling SU2 with OpDiLib, an add-on for operator overloading AD tools that extends AD to OpenMP parallelism, marks a key step in this endeavour. We identify the affected parts of SU2's advanced AD workflow and discuss the required changes and their tradeoffs. Detailed performance studies compare MPI parallel and hybrid parallel discrete adjoints in terms of memory and runtime and unveil key performance characteristics. We showcase the effectiveness of performance optimizations and highlight perspectives for future improvements. At the same time, this study demonstrates the applicability of OpDiLib in a large code base and its scalability on large test cases, providing valuable insights for future applications both within and beyond SU2.

cs.MS↗

arXiv2023

Toward the End-To-End Optimization of the SWGO Array Layout

In this document we consider the problem of finding the optimal layout for the array of water Cherenkov detectors proposed by the SWGO collaboration to study very-high-energy gamma rays in the southern hemisphere. We develop a continuous model of the secondary particles produced by atmospheric showers initiated by high-energy gamma rays and protons, and build an optimization pipeline capable of identifying the most promising configuration of the detector elements. The pipeline employs stochastic gradient descent to maximize a utility function aligned with the scientific goals of the experiment. We demonstrate how the software is capable of finding the global maximum in the high-dimensional parameter space, and discuss its performance and limitations.

astro-ph.IM↗

arXiv2023

Progress in End-to-End Optimization of Detectors for Fundamental Physics with Differentiable Programming

In this article we examine recent developments in the research area concerning the creation of end-to-end models for the complete optimization of measuring instruments. The models we consider rely on differentiable programming methods and on the specification of a software pipeline including all factors impacting performance -- from the data-generating processes to their reconstruction and the extraction of inference on the parameters of interest of a measuring instrument -- along with the careful specification of a utility function well aligned with the end goals of the experiment. Building on previous studies originated within the MODE Collaboration, we focus specifically on applications involving instruments for particle physics experimentation, as well as industrial and medical applications that share the detection of radiation as their data-generating mechanism.

physics.ins-det↗

arXiv2023

Trailing-Edge Noise Reduction using Porous Treatment and Surrogate-based Global Optimization

Broadband noise reduction is a significant problem in aerospace and industrial applications. Specifically, the noise generated from the trailing edge of an airfoil poses a challenging problem with various proposed solutions. This study investigates the porous trailing edge treatment. We use surrogate-based gradient-free optimization and an empirical noise model to efficiently explore the design space and find the optimal porosity distribution. As a result, a predicted 8-10 dB reduction in the broadband 300-5000 Hz was achieved. Furthermore, the optimal design emphasizes the design space's complexity and global exploration's difficulty. Further, the optimal design presents a low porous solution while constituting significant noise reduction.

physics.flu-dyn↗

arXiv2022

Reverse-Mode Automatic Differentiation of Compiled Programs

Tools for algorithmic differentiation (AD) provide accurate derivatives of computer-implemented functions for use in, e. g., optimization and machine learning (ML). However, they often require the source code of the function to be available in a restricted set of programming languages. As a step towards making AD accessible for code bases with cross-language or closed-source components, we recently presented the forward-mode AD tool Derivgrind. It inserts forward-mode AD logic into the machine code of a compiled program using the Valgrind dynamic binary instrumentation framework. This work extends Derivgrind, adding the capability to record the real-arithmetic evaluation tree, and thus enabling operator overloading style reverse-mode AD for compiled programs. We maintain the high level of correctness reported for Derivgrind's forward mode, failing the same few testcases in an extensive test suite for the same well-understood reasons. Runtime-wise, the recording slows down the execution of a compiled 64-bit benchmark program by a factor of about 180.

cs.MS↗

arXiv2022

Forward-Mode Automatic Differentiation of Compiled Programs

Algorithmic differentiation (AD) is a set of techniques that provide partial derivatives of computer-implemented functions. Such a function can be supplied to state-of-the-art AD tools via its source code, or via an intermediate representation produced while compiling its source code. We present the novel AD tool Derivgrind, which augments the machine code of compiled programs with forward-mode AD logic. Derivgrind leverages the Valgrind instrumentation framework for a structured access to the machine code, and a shadow memory tool to store dot values. Access to the source code is required at most for the files in which input and output variables are defined. Derivgrind's versatility comes at the price of scaling the run-time by a factor between 30 and 75, measured on a benchmark based on a numerical solver for a partial differential equation. Results of our extensive regression test suite indicate that Derivgrind produces correct results on GCC- and Clang-compiled programs, including a Python interpreter, with a small number of exceptions. While we provide a list of scenarios that Derivgrind does not handle correctly, nearly all of them are academic counterexamples or originate from highly optimized math libraries. As long as differentiating those is avoided, Derivgrind can be applied to an unprecedentedly wide range of cross-language or partially closed-source software with little integration efforts.

cs.MS↗

arXiv2022

Toward the End-to-End Optimization of Particle Physics Instruments with Differentiable Programming: a White Paper

The full optimization of the design and operation of instruments whose functioning relies on the interaction of radiation with matter is a super-human task, given the large dimensionality of the space of possible choices for geometry, detection technology, materials, data-acquisition, and information-extraction techniques, and the interdependence of the related parameters. On the other hand, massive potential gains in performance over standard, "experience-driven" layouts are in principle within our reach if an objective function fully aligned with the final goals of the instrument is maximized by means of a systematic search of the configuration space. The stochastic nature of the involved quantum processes make the modeling of these systems an intractable problem from a classical statistics point of view, yet the construction of a fully differentiable pipeline and the use of deep learning techniques may allow the simultaneous optimization of all design parameters. In this document we lay down our plans for the design of a modular and versatile modeling tool for the end-to-end optimization of complex instruments for particle physics experiments as well as industrial and medical applications that share the detection of radiation as their basic ingredient. We consider a selected set of use cases to highlight the specific needs of different applications.

physics.ins-det↗

arXiv2022

Exploration of Differentiability in a Proton Computed Tomography Simulation Framework

Objective. Algorithmic differentiation (AD) can be a useful technique to numerically optimize design and algorithmic parameters by, and quantify uncertainties in, computer simulations. However, the effectiveness of AD depends on how "well-linearizable" the software is. In this study, we assess how promising derivative information of a typical proton computed tomography (pCT) scan computer simulation is for the aforementioned applications. Approach. This study is mainly based on numerical experiments, in which we repeatedly evaluate three representative computational steps with perturbed input values. We support our observations with a review of the algorithmic steps and arithmetic operations performed by the software, using debugging techniques. Main results. The model-based iterative reconstruction (MBIR) subprocedure (at the end of the software pipeline) and the Monte Carlo (MC) simulation (at the beginning) were piecewise differentiable. Jumps in the MBIR function arose from the discrete computation of the set of voxels intersected by a proton path. Jumps in the MC function likely arose from changes in the control flow that affect the amount of consumed random numbers. The tracking algorithm solves an inherently non-differentiable problem. Significance. The MC and MBIR codes are ready for the integration of AD, and further research on surrogate models for the tracking subprocedure is necessary.

physics.med-ph↗

arXiv2015

Construction of normal numbers with respect to Generalized Lüroth Series from equidistributed sequences

Generalized Lüroth series generalize $b$-adic representations as well as Lüroth series. Almost all real numbers are normal, but it is not easy to construct one. In this paper, a new construction of normal numbers with respect to Generalized Lüroth Series (including those with an infinite digit set) is given. Our method concatenates the beginnings of the expansions of an arbitrary equidistributed sequence.

math.NT↗