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TransPlatformer

We propose TransPlatformer for translating toxicogenomics from one platform to another. Transcriptomic profiling has evolved through multiple generations of technology, from microarrays (e.g., Affymetrix, CodeLink) to more recent high-throughput sequencing and targeted panels such as S1500+. Microarrays, which dominated gene expression studies in the early 2000s, provided affordable and high-throughput transcript quantification but suffered from cross-hybridization issues and limited dynamic range . RNA-Seq, introduced in the late 2000s, revolutionized transcriptomics by enabling unbiased and comprehensive gene expression analysis, albeit at higher costs and computational demands . Despite advances, many studies rely on historical microarray data, necessitating the translation of legacy data into modern platforms to ensure continuity and comparability. This translation is complicated by factors such as platform-specific probe design, differences in transcript coverage, and batch effects . Existing methods for cross-platform mapping include statistical normalization, machine learning models, and biological anchoring approaches. The ability to translate transcriptomic data between platforms has broad implications, including enhanced meta-analyses, improved toxicological modeling, and better integration of historical datasets with contemporary research. TransPlatformer seeks to contribute to this effort by evaluating translation methodologies and proposing novel strategies to improve cross-platform gene expression harmonization. In this repository there are code examples for TransPlatformer implementation

Cong, Guojing↗

Investigation of the Flow Physics Driving Stall-Side Flutter in Advanced Forward Swept Fan Designs

Flutter-free operation of advanced transonic fan designs continues to be a challenging task for the designers of aircraft engines. In order to meet the demands of increased performance and lighter weight, these modern fan designs usually feature low-aspect ratio shroudless rotor blade designs that make the task of achieving adequate flutter margin even more challenging for the aeroelastician. This is especially true for advanced forward swept designs that encompass an entirely new design space compared to previous experience. Fortunately, advances in unsteady computational fluid dynamic (CFD) techniques over the past decade now provide an analysis capability that can be used to quantitatively assess the aeroelastic characteristics of these next generation fans during the design cycle. For aeroelastic applications, Mississippi State University and NASA Glenn Research Center have developed the CFD code TURBO-AE. This code is a time-accurate three-dimensional Euler/Navier-Stokes unsteady flow solver developed for axial-flow turbomachinery that can model multiple blade rows undergoing harmonic oscillations with arbitrary interblade phase angles, i.e., nodal diameter patterns. Details of the code can be found in Chen et al. (1993, 1994), Bakhle et al. (1997, 1998), and Srivastava et al. (1999). To assess aeroelastic stability, the work-per-cycle from TURBO-AE is converted to the critical damping ratio since this value is more physically meaningful, with both the unsteady normal pressure and viscous shear forces included in the work-per-cycle calculation. If the total damping (aerodynamic plus mechanical) is negative, then the blade is unstable since it extracts energy from the flow field over the vibration cycle. TURBO-AE is an integral part of an aeroelastic design system being developed at Honeywell Engines, Systems & Services for flutter and forced response predictions, with test cases from development rig and engine tests being used to validate its predictive capability. A recent experimental program (Sanders et al., 2002) was aimed at providing the necessary unsteady aerodynamic and vibratory response data needed to validate TURBO-AE for fan flutter predictions. A comparison of numerical TURBO-AE simulations with the benchmark flutter data is given in Sanders et al. (2003), with the data used to guide the validation of the code and define best practices for performing accurate unsteady simulations. The agreement between the analyses and the predictions was quite remarkable, demonstrating the ability of the analysis to accurately model the unsteady flow processes driving stall-side flutter.

Sanders, Albert J.↗

TPSAS-NF1676L-32188-DND

Engineers rely on a wide variety of modern thermal tools to model thermal problems; many of these tools offer graphical “front ends” whereby users formulate their analytical models using a CAD interface. Behind the scenes, the analysis is performed on a thermal network – this is true whether the analyst uses finite differencing or finite element methodologies. While graphical front ends are very powerful, understanding the resulting thermal network representation used for a model gives the user the ability to check or even modify the models at a basic level. Additionally, there are instances where an engineer may prefer to develop network models from scratch or use heritage code that does not have a graphical front end. Some front-end programs output thermal networks in the widely used SINDA format; our lesson will focus on this input format.

Steven L Rickman↗

Symmetry reduction of tensor networks in many-body theory: I. Automated symbolic evaluation of SU(2) algebra

Abstract The ongoing progress in (nuclear) many-body theory is accompanied by an ever-rising increase in complexity of the underlying formalisms used to solve the stationary Schrödinger equation. The associated working equations at play in state-of-the-art ab initio nuclear many-body methods can be analytically reduced with respect to angular-momentum, i.e. SU (2), quantum numbers whenever they are effectively employed in a symmetry-restricted context. The corresponding procedure constitutes a tedious and error-prone but yet an integral part of the implementation of those many-body frameworks. Indeed, this symmetry reduction is a key step to advance modern simulations to higher accuracy since the use of symmetry-adapted tensors can decrease the computational complexity by orders of magnitude. While attempts have been made in the past to automate the (anti-) commutation rules linked to Fermionic and Bosonic algebras at play in the derivation of the working equations, there is no systematic account to achieve the same goal for their symmetry reduction. In this work, the first version of an automated tool performing graph-theory-based angular-momentum reduction is presented. Taking the symmetry-unrestricted expressions of a generic tensor network as an input, the code provides their angular-momentum-reduced form in an error-safe way in a matter of seconds. Several state-of-the-art many-body methods serve as examples to demonstrate the generality of the approach and to highlight the potential impact on the many-body community.

Tichai, A.↗

Simple, Secure, Internet Delivery of MOOSE-based Applications

Application packaging and distribution are the final steps for delivering software to end-users; both are frequently neglected when creating scientific software. Commercial businesses rely on electronic distribution systems that have rendered disk drives obsolete. Still, national laboratories continue to rely heavily on removable media to distribute and limit access to controlled applications. With increasing concerns of unauthorized copying of sensitive applications, a modern distribution system that utilizes cryptographically secure communication and authentication protocols has been developed. This new distribution system will secure the chain of custody for nuclear software while simultaneously simplifying access to these tools. This report summarizes four primary advancements made toward the secure distribution of Nuclear Energy Advanced Modeling and Simulation (NEAMS)-developed, Multiphysics Object Oriented Simulation Environment (MOOSE)-based applications: application installation, package distribution, automated package building, and distribution of documentation. NEAMS is currently developing more than ten separate applications based on the open-source MOOSE Framework. Distribution of these applications has primarily been accomplished by distributing source code, with end-users compiling the applications themselves. This work created a mechanism where MOOSE applications can be installed in a similar way to any other software. This allows both administrators and end-users simplified access to runnable executables. With this new installation capability, it was then possible to rethink distribution. A new, secure capability for delivering MOOSE-based applications over the internet has been created. This system requires unique cryptographic tokens for authentication, greatly securing the custody chain for software. Once granted access, installation of any NEAMS code can be accomplished with these terminal commands: "conda install ncrc" "ncrc install ncrc-bison." After these two commands (and authenticating) the BISON application will be securely down- loaded from Idaho National Laboratory (INL)’s servers, installed, and ready to use. To enable this new distribution capability to be successful, the open-source Continuous Integration, Verification, Enhancement, and Testing (CIVET) Continuous Integration (CI) capability was augmented to add Continuous Delivery (CD). CD enables the automated building and packaging of MOOSE-based applications as they are modified by development teams, ensuring that our customers can obtain up-to-date versions of the software at any time. The need for instruction on how to use these applications was addressed through modifications to the MOOSE documentation system. The MooseDocs capability, which enables robust documentation of MOOSE-based applications, has been extended to allow both for the installation of documentation and the packaging of documentation with installed applications. Together, these enhancements form the core of a new, secure distribution mechanism for nuclear simulation tools. In concert with the Nuclear Computational Resource Center (NCRC), NEAMS- developed applications will now be straightforward to obtain securely.

97 MATHEMATICS AND COMPUTING↗

Unified Language Frontend for Physic-Informed AI/ML

Artificial intelligence and machine learning (AI/ML) are becoming important tools for scientific modeling and simulation as in several other fields such as image analysis and natural language processing. ML techniques can leverage the computing power available in modern systems and reduce the human effort needed to configure experiments, interpret and visualize results, draw conclusions from huge quantities of raw data, and build surrogates for physics based models. Domain scientists in fields like fluid dynamics, microelectronics and chemistry can automate many of their most difficult and repetitive tasks or improve the design times by use of the faster ML-surrogates. However, modern ML and traditional scientific highperformance computing (HPC) tend to use completely different software ecosystems. While ML frameworks like PyTorch and TensorFlow provide Python APIs, most HPC applications and libraries are written in C++. Direct interoperability between the two languages is possible but is tedious and error-prone. In this work, we show that a compiler-based approach can bridge the gap between ML frameworks and scientific software with less developer effort and better efficiency. We use the MLIR (multi-level intermediate representation) ecosystem to compile a pre-trained convolutional neural network (CNN) in PyTorch to freestanding C++ source code in the Kokkos programming model. Kokkos is a programming model widely used in HPC to write portable, shared-memory parallel code that can natively target a variety of CPU and GPU architectures. Our compiler-generated source code can be directly integrated into any Kokkosbased application with no dependencies on Python or cross-language interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Noise Simulations of the High-Lift Common Research Model

The PowerFLOW(TradeMark) code has been used to perform numerical simulations of the high-lift version of the Common Research Model (HL-CRM) that will be used for experimental testing of airframe noise. Time-averaged surface pressure results from PowerFLOW(TradeMark) are found to be in reasonable agreement with those from steady-state computations using FUN3D. Surface pressure fluctuations are highest around the slat break and nacelle/pylon region, and synthetic array beamforming results also indicate that this region is the dominant noise source on the model. The gap between the slat and pylon on the HL-CRM is not realistic for modern aircraft, and most nacelles include a chine that is absent in the baseline model. To account for those effects, additional simulations were completed with a chine and with the slat extended into the pylon. The case with the chine was nearly identical to the baseline, and the slat extension resulted in higher surface pressure fluctuations but slightly reduced radiated noise. The full-span slat geometry without the nacelle/pylon was also simulated and found to be around 10 dB quieter than the baseline over almost the entire frequency range. The current simulations are still considered preliminary as changes in the radiated acoustics are still being observed with grid refinement, and additional simulations with finer grids are planned.

Lockard, David P.↗

Accelerating gravitational microlensing simulations using the Xeon Phi coprocessor

Recently Graphics Processing Units (GPUs) have been used to speed up very CPU-intensive gravitational microlensing simulations. In this work, we use the Xeon Phi coprocessor to accelerate such simulations and compare its performance on a microlensing code with that of NVIDIA's GPUs. For the selected set of parameters evaluated in our experiment, we find that the speedup by Intel's Knights Corner coprocessor is comparable to that by NVIDIA's Fermi family of GPUs with compute capability 2.0, but less significant than GPUs with higher compute capabilities such as the Kepler. However, the very recently released second generation Xeon Phi, Knights Landing, is about 5.8 times faster than the Knights Corner, and about 2.9 times faster than the Kepler GPU used in our simulations. Here, we conclude that the Xeon Phi is a very promising alternative to GPUs for modern high performance microlensing simulations. LESS

79 ASTRONOMY AND ASTROPHYSICS↗

Field Programmable Gate Arrays for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations

We present the first application of field programmable gate arrays (FPGAs) as new, customizable hardware architectures for carrying out fast and energy-efficient quantum dynamics simulations of large chemical/material systems. Instead of tailoring the software to fixed hardware, which is the typical case for writing quantum chemistry code for central processing units (CPUs) and graphics processing units (GPUs), FPGAs allow us to directly customize the underlying hardware (even at the level of specific electrical signals in the circuit) to give a truly optimized computational performance for quantum dynamics calculations. By offloading the most intensive and repetitive calculations onto an FPGA, we show that the computational performance of our real-time electron dynamics calculations can even exceed that of optimized commercial mathematical libraries running on high-performance GPUs. In addition to this impressive computational speedup, we show that FPGAs are immensely energy-efficient and consume 4 times less energy than modern GPU or CPU architectures. These energy savings are a practical and important metric for supercomputing centers (many of which exceed over $1 million in power costs alone), as exascale computing capabilities become more widespread and commonplace. Taken together, the implementation techniques and performance metrics of our study demonstrate that FPGAs could play a promising role in upcoming quantum chemistry and materials science applications, particularly for the acceleration and energy-efficient execution of quantum dynamics calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analytical harmonic vibrational frequencies with VV10-containing density functionals: Theory, efficient implementation, and benchmark assessments

VV10 is a powerful nonlocal density functional for long-range correlation that is used to include dispersion effects in many modern density functionals, such as the meta-generalized gradient approximation (mGGA), B97M-V, the hybrid GGA, ωB97X-V, and the hybrid mGGA, ωB97M-V. While energies and analytical gradients for VV10 are already widely available, this study reports the first derivation and efficient implementation of the analytical second derivatives of the VV10 energy. The additional compute cost of the VV10 contributions to analytical frequencies is shown to be small in all but the smallest basis sets for recommended grid sizes. Here, this study also reports the assessment of VV10-containing functionals for predicting harmonic frequencies using the analytical second derivative code. The contribution of VV10 to simulating harmonic frequencies is shown to be small for small molecules but important for systems where weak interactions are important, such as water clusters. In the latter cases, B97M-V, ωB97M-V, and ωB97X-V perform very well. The convergence of frequencies with respect to the grid size and atomic orbital basis set size is studied, and recommendations are reported. Finally, scaling factors to allow comparison of scaled harmonic frequencies with experimental fundamental frequencies and to predict zero-point vibrational energy are presented for some recently developed functionals (including r2SCAN, B97M-V, ωB97X-V, M06-SX, and ωB97M-V).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Early emission from the type IIn supernova 1998S at high resolution

The well-studied Type IIn supernova (SN IIn) 1998S is often dubbed the prototypical SN IIn, and it provides a unique opportunity to study its progenitor star from within as the supernova (SN) lights up dense circumstellar material launched from the progenitor. Here we present a Keck HIRES spectrum of SN 1998S taken within a few days after core collapse—both the earliest high-resolution (Δλ<1.0 Å) spectrum published of a SN IIn and the earliest spectrum published of SN 1998S. Modern SN studies achieve impressively short turn-around times between SN detection and the first observed spectrum, but high-resolution spectra of very young supernovae (SNe) are rare; the unique spectrum presented here provides a useful case study for observations of other young SN systems including SN 2013cu, which displayed a remarkably similar spectrum when very young. We examine the fully resolved emission-line profiles of SN 1998S, finding evidence for extreme mass loss from the progenitor at velocities much less than those characteristic of Wolf–Rayet stars. We model our high-resolution SN 1998S spectrum using the radiative-transfer code CMFGEN and explore the composition, density, and velocity gradients within the SN system. We find a mass-loss rate of 6.0×10{sup −3} M{sub ⊙} yr{sup −1} during the ∼15 years before core collapse, while other studies indicate a much lower rate at earlier times (>15 years before core collapse). A comparison with a spectrum of SN 2013cu indicates many similarities, though SN 2013cu was of Type IIb—indicating that very different supernovae can arise from progenitors with extreme mass loss in the last few years before explosion.

79 ASTRONOMY AND ASTROPHYSICS↗

Discovering charge density functionals and structure-property relationships with PROPhet: A general framework for coupling machine learning and first-principles methods

Modern ab initio methods have rapidly increased our understanding of solid state materials properties, chemical reactions, and the quantum interactions between atoms. However, poor scaling often renders direct ab initio calculations intractable for large or complex systems. There are two obvious avenues through which to remedy this problem: (i) develop new, less expensive methods to calculate system properties, or (ii) make existing methods faster. This paper describes an open source framework designed to pursue both of these avenues. PROPhet (short for PROPerty Prophet) utilizes machine learning techniques to find complex, non-linear mappings between sets of material or system properties. The result is a single code capable of learning analytical potentials, non-linear density functionals, and other structure-property or property-property relationships. These capabilities enable highly accurate mesoscopic simulations, facilitate computation of expensive properties, and enable the development of predictive models for systematic materials design and optimization. Here, this work explores the coupling of machine learning to ab initio methods through means both familiar (e.g., the creation of various potentials and energy functionals) and less familiar (e.g., the creation of density functionals for arbitrary properties), serving both to demonstrate PROPhet’s ability to create exciting post-processing analysis tools and to open the door to improving ab initio methods themselves with these powerful machine learning techniques.

97 MATHEMATICS AND COMPUTING↗

Reactivity measurements using the Zolotukhin-Mogilner Method

The zero count probability method (also called Zolotukhin-Mogilner Method, after its inventors) is a method for measuring the reactivity in nuclear reactors, being a competitor of the [more well-known in the West] Feynman-alpha Method and the Rossi-alpha Method. The modus operandi of this method is using the detector channels where there was no counting at all in order to calculate reactor parameters. In deep subcriticality few models have been tested and this work tries out the Zolotukhin-Mogilner Method in one of such scenarios: measurements will be made in environments below -3,5 k pcm in the zero-potency water-moderated reactor IPEN/MB-01 which is fuelled by UO{sub 2} enriched by 4.3%. These extremely low reactivity environments are required because the chance of no counts on the detector must be significant: otherwise, the method would demand a large time of acquisition of data. Besides that, the method is very simple and straightforward. One of the advantages of this method is that it needs very little data reduction, since the essential data is directly given by the measuring apparatus. The detection will be in charge of modern BF{sub 3} detectors. It will be assumed that, in these deep subcritical systems, the function K{sub eff} = f(N-Nkp) has a linear portion in its first part, resulting of the decomposition of it in a Taylor series. The value of alpha is related to the reactivity ρ with linear dependency. The results will be compared with recent studies of the two main methods described above. Presented for the first time in the 60's, this tool has seen little use in the west hemisphere. This work shows its use in the measurements of the nuclear reactor IPEN/MB-01, as well as the code developed for its employment. It will be the first time this method is used in the south hemisphere. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Domain Aware Deep-learning Algorithms Integrated with Scientific-computing Technologies (DADAIST)

This technical report summarized the contribution of the DADAIST project funded by the Data Model Convergence Initiative via the Laboratory Directed Research and Development (LDRD) investments at Pacific Northwest National Laboratory (PNNL). Specifically, we report the development of the NeuroMANCER (Neural Modules with Adaptive Nonlinear Constraints and Efficient Regularizations), a new open-source Scientific Machine Learning library for formulating and solving parametric constrained optimization problems, physics-informed system identification, and parametric optimal control problems. NeuroMANCER is using differentiable programming to combine modern data-driven models and optimization modeling language into a coherent algorithmic and software framework. NeuroMANCER is a Pytorch-based framework and adopts much of its philosophy focused on research and development, rapid prototyping, and streamlined deployment. Strong emphasis is given to extensibility, interoperability with the PyTorch ecosystem, and quick adaptability to custom domain problems. Neuromancer repository contains a comprehensive library of differentiable modules, including custom activation functions, matrix factorizations, deep learning architectures, neural differential equations, differential equation solvers, implicit layers such as iterative solvers, high-level API for symbolic expressions, API for modeling and control of dynamical systems, and extensive set of tutorial code examples in the form of python scripts and jupyter notebooks.

97 MATHEMATICS AND COMPUTING↗

JANUS: Resilient and Adaptive Data Transmission for Enabling Timely and Efficient Cross-Facility Scientific Workflows

In modern science, the growing complexity of large-scale scientific projects has led to an increasing reliance on cross-facility scientific workflows, where resources and expertise from multiple institutions and geographic locations are leveraged to accelerate scientific discovery. These workflows often require transmitting huge amounts of scientific data through wide-area networks. Although high-speed networks like ESnet and transfer services such as Globus have improved data mobility, several challenges remain. The sheer volume of data can overwhelm network bandwidth, widely used transport protocols such as TCP suffer from inefficiencies due to retransmissions triggered by packet loss, and existing fault-tolerance mechanisms like erasure coding introduce substantial overhead. In this paper, we propose Janus, a resilient and adaptable data transmission approach designed for cross-facility scientific workflows. Unlike traditional TCP-based methods, Janus leverages UDP, integrates erasure coding for fault tolerance, and combines it with error-bounded lossy compression to reduce overhead. This novel design allows users to balance data transmission time and accuracy, optimizing transfer performance based on specific scientific requirements. Additionally, Janus dynamically adjusts erasure coding parameters in response to real-time network conditions, ensuring efficient data transfers even in fluctuating environments. We develop optimization models for determining ideal configurations and implement adaptive data transfer protocols to enhance reliability. Through extensive simulations and real-network experiments, we demonstrate that Janus significantly improves transfer efficiency while maintaining data fidelity.

Esaulov, Vladislav [Georgia State University, Atla↗

Analysis of a Loop for Fission Gas Release and Monitoring at the PULSTAR Reactor

Modern nuclear fuel performance analysis tools aim at establishing a predictive approach for examining macroscopic fuel behavior due to fuel gaseous swelling and the associated pellet cladding mechanical interaction (PCMI). In general, the macroscopic behavior is highly sensitive to understanding microscopically driven phenomena, which in this case is the release of fission gas (i.e., Kr and Xe) from the fuel. Previous studies identified the uncertainties associated with the intra-granular fission gas diffusion coefficient as most limiting for the accuracy of fission gas release calculations. In particular, it was concluded that, in order to improve fission gas release as well as gaseous swelling predictions using fuel performance codes, a better characterization of the diffusion coefficient is needed. This work explores the implementation of an on-line fission gas release and measurement loop at the North Carolina State University (NCSU) PULSTAR reactor. A unique characteristic of this loop is the ability to control the temperature of the fuel samples during irradiation to establish a more accurate correlation between the irradiation conditions and an observable such as the intragranular gas diffusion coefficient. Analysis was performed of an 'in-pile' fission gas release experiment that is currently under implementation at the NCSU PULSTAR reactor. Using MCNP6 calculations and COMSOL simulations the fission rate density and temperature distributions in UO{sub 2} microspheres were estimated. To explore the feasibility of detecting fission gas isotopes, estimates of R/B for {sup 138}Xe were obtained using the equivalent sphere model and combined with MCNP6 predicted B estimates to obtain R. Assuming detection in a typical gamma-ray spectrometry HPGe system, it was conclude that reasonable count rates will be achieved to allow extraction of release information. At this stage, accurate assessment is underway of the performance of various loop components to set the final design criteria in support of loop fabrication. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fast 2D Bicephalous Convolutional Autoencoder for Compressing 3D Time Projection Chamber Data

High-energy large-scale particle colliders produce data at high speed in the order of 1 terabytes per second in nuclear physics and petabytes per second in high energy physics. Developing real-time data compression algorithms to reduce such data at high throughput to fit permanent storage has drawn increasing attention. Specifically, at the newly constructed sPHENIX experiment at the Relativistic Heavy Ion Collider (RHIC), a time projection chamber is used as the main tracking detector, which records particle trajectories in a volume of three-dimensional (3D) cylinder. The resulting data are usually very sparse with occupancy around 10.8%. Such sparsity presents a challenge to conventional learning-free lossy compression algorithms, such as SZ, ZFP, and MGARD. The 3D convolutional neural network (CNN)-based approach, Bicephalous Convolutional Autoencoder (BCAE), outperforms traditional methods both in compression rate and reconstruction accuracy. BCAE can also utilize the computation power of graphical processing units suitable for deployment in a modern heterogeneous highperformance computing environment. This work introduces two BCAE variants: BCAE++ and BCAE-2D. BCAE++ achieves a 15% better compression ratio and a 77% better reconstruction accuracy measured in mean absolute error compared with BCAE. BCAE-2D treats the radial direction as the channel dimension of an image, resulting in a 3× speedup in compression throughput. In addition, we demonstrate an unbalanced autoencoder with a larger decoder can improve reconstruction accuracy without significantly sacrificing throughput. Lastly, we observe both the BCAE++ and BCAE-2D can benefit more from using half-precision mode in throughput (76 - 79% increase) without loss in reconstruction accuracy. The source code and links to data and pretrained models can be found at https://github.com/BNL-DAQ-LDRD/NeuralCompression_v2

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Unified differentiable digital twin for the IOTA/FAST facility

As the design complexity of modern accelerators grows, there is more interest in using advanced simulations that have fast execution time or produce insights about accelerator state. One notable example of additional information are gradients of physical observables with respect to design parameters produced by differentiable simulations. The IOTA/FAST facility has recently begun a program to implement and experimentally validate a unified start-to-end differentiable digital twin to serve as a virtual accelerator test stand, allowing for rapid prototyping of new software and experiments with minimal beam time costs. In this contribution we will discuss our plans and progress. Specifically, we will cover the selection and benchmarking of both physics and ML codes, the development of generic interfaces between device models and surrogate or physics-based sections, and the export of the parameters through either a deterministic event loop or a fully asynchronous EPICS soft input/output controller. We will also discuss challenges in model calibration and uncertainty quantification, as well as future plans to support larger proton accelerators like PIPII and Booster.

Kuklev, Nikita [Fermilab]↗