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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Intelligent Experiments Through Real-time AI: Fast Data Processing and Autonomous Detector Control for sPHENIX and Future EIC Detectors (Final Report)

The overall vision of this project was to integrate real-time artificial intelligence (AI) directly into the data acquisition and detector-control systems of nuclear physics experiments, including both fast online event selection and an autonomous detector-control feedback loop. The work carried out under the award focused on the fast online event-selection half of that vision: the efficient recording of low-momentum heavy-flavor (HF) hadron decays in proton-proton collisions at the sPHENIX experiment at the Relativistic Heavy Ion Collider (RHIC)—an observable that requires fast tracking and topological trigger selection not previously demonstrated at RHIC, and that is essential for QCD studies at future facilities such as the Electron-Ion Collider (EIC). The autonomous detector-control (GPU-based feedback) component named in the project title remained a design concept and was not implemented under this award. The Massachusetts Institute of Technology (MIT) group led the offline simulation and data processing needed to train the machine-learning (ML) models, the translation of trained models to Field-Programmable Gate Array (FPGA) firmware using the hls4ml framework, and the physics validation of heavy-flavor reconstruction. Over the award period, the team developed and hardware-tested the principal components of an AI-based heavy-flavor trigger on simulated and recorded sPHENIX tracker data: a software Bipartite Graph Attention Network (BiGAT) trigger model reaching > 95% signal efficiency at 99% background rejection; an FPGA-native hit clusterizer matching the offline clustering; smaller networks synthesized to FPGA within the required sub-10 µs latency; and an assembled decoder–clusterizer–inference firmware chain exercised on the FELIX readout board. A complete, fully integrated hardware demonstrator was not finished within the award period. This report documents the project goals, the MIT group’s contributions, the technical accomplishments, and the outlook toward applications at the future EIC ePIC detector.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Advancing Artificial Intelligence with Liquid Argon Neutrino Experiments (Technical Report)

The grant allowed two main contributions: 1) The development of a first successful demonstration of the employment of Optimal Transport in liquid argon time projection chamber neutrino detectors. Optimal Transport, used in other contexts and specifically with LHC calorimetric data, was adapted to address a key particle identification challenge in LArTPCs: the separation of pi0 backgrounds from single-electrons produced in charged-current electron neutrino interactions. The work, leveraging ML methods such as k-nearest-neighbor (kNN) and support-vector-machine (SVM), showed an increase in background rejection of a factor of two or more. Work is now ongoing to incorporate this development in physics analyses for LArTPC experiments and more broadly expand the use of OT in LArTPC detectors including DUNE. This work was done in collaboration with the phenomenology group led by Nathaniel Craig at UCSB. 2) The deployment of NuGraph2, a graph neural network developed for LArTPC reconstruction, in the MicroBooNE experiment. NuGraph2 uses novel graph-neural-network methods on the rather simple LArTPC inputs of reconstructed hits, greatly simplifying the workflow compared to the use of waveform or signal-deconvolved wire ROIs. The network performed particle classification and was shown to address many challenging problems in LArTPC imaging including track-shower separation and the identification of protons and charged pions from primary muons. Our group collaborated with Giuseppe Cerati (FNAL scientist) who is one of the core developers of NuGraph2 to integrate this tool in MicroBooNE’s analysis framework. This consisted in tow key contributions: a) Studying performance on real data, which came with several months of iterations because the MC-trained version of the network was found to show significant bias that our group investigated and addressed. b) Integrating the output hit labeling of NuGraph2 into the existing particle tracking and shower reconstruction code. As a result of this work led by our team NuGraph2 is now enabling a suite of new analyses which benefit from enhanced capabilities and thus broader physics reach. The grant supported primarily the salary of UCSB graduate student Chuyue “Michaelia” Fang as well as partial summer salary support for PI Caratelli. Some funds were used for travel by Michaelia to ML related schools and conferences.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Smart Pixels: In-pixel AI for on-sensor data filtering

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.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Smart Pixels: In-pixel AI for on-sensor data filtering

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 µm\textsuperscript{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\textsuperscript{-} and a total dispersion of $\sim$100e\textsuperscript{-} 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\textsuperscript{2} staying within the experimental constraints.

Parpillon, Benjamin↗
DOE OSTI2025

Performance Evaluation of Intelligent Solar Control Software Through Hardware-in-the-Loop (CRADA Final Report)

Recent research has highlighted the potential for solar to act as a zero-marginal-cost and zero-emission flexibility resource on the bulk power system when operated with advanced control systems. To increase the performance of these systems, leading technologies, including machine learning (ML) and hierarchical inverter set point allocation, have been developed by Latimer Controls, Inc. to estimate the headroom of large PV plants for grid operation and control; however, these technologies lack comprehensive validation under real-world application scenarios. Latimer Controls, Inc. received two voucher awards for research at a national laboratory from the Department of Energy American Made Solar Prize Round 6. The National Renewable Energy Laboratory (NREL) was selected to collaborate with Latimer staff to conduct a performance evaluation of Latimer PV control software. The NREL team will develop a hardware-in-the-loop (HIL) testbed to perform testing and validation of the Latimer PV control technology in a de-risked yet realistic testbed environment. Latimer and NREL worked together to analyze the test data, draw conclusions from the results, and disseminate the resulting scientific findings. In this CRADA work, we propose to test and validate the real-world application of the Latimer Control solution in an HIL environment. We evaluate the performance of different flexible solar technologies in responding to automatic generation control signals in a closed-loop fashion. In particular, a data-driven potential high limit (PHL) estimation is developed for large solar plants to accurately estimate their headroom so that they have fast and short-time regulation and control capability to participate in grid services and respond to grid signals in real time (e.g., AGC). This PHL estimation algorithm is embedded in a hardware power plant controller (PPC) and tested with an IEEE-39 bus system model developed in RTDS. To account for the varying cloud conditions and diverse inverter dispatches, we developed a 135-MW PV plant with detailed modeling of 27 individual PV modules and inverters using RTDS. The real-world communications used in such big plants, such as ModBus TCP/IP for inverter level and DNP3 for plant level, were developed to emulate the real-world applications in big PV plants. The ML-based PHL estimation method is tested under nine separate weather scenarios against the ‘reference-control’ solution, hereafter referred to as the baseline solution. The baseline method reserves a subset of inverters (reference group) to operate at their PHL at all times and dispatches only the remaining inverters (control group) at curtailed levels to fulfill the flexibility need. Despite being successfully piloted by NREL in California in 2017 and Chile in 2020, there exist two gaps in the state of the art to fully unlock the flexibility of PV plants: a. There is a trade-off between the PHL estimation accuracy and the flexibility range. b. There lacks granularity in the PHL estimation to capture the variation across inverters. The Latimer solution seeks to address these gaps by applying machine learning methods to improve PHL estimation accuracy while accounting for variability at every inverter. Performance metrics were taken from the 2023 Georgia Power CARES utility-scale RFP. The results demonstrate that the ML-based approach outperforms the traditional baseline method in PHL estimation accuracy for 7 of 9 scenarios. The average PHL error across the nine scenarios was 7.40% for the ML-based method, 2.06% less than the 9.46% PHL error average across scenarios that was exhibited by the baseline method. Additionally, the PHL error was below 5% for at least 95% of the testing interval for 3 of 9 tested intervals with the ML approach, whereas it did not achieve this metric for any of the baseline tests. Overall, simulation results indicate the superior performance of an ML-based approach compared to the conventional baseline reference-control approach, showcasing its potential to support grid stability and operational efficiency. This laboratory HIL testing using real PPC, representative power system simulation models in real-time with detailed PV plant and inverter models, and real-world communication protocols gives us confidence that this machine learning based PHL estimation algorithm works well in the hardware PPC and therefore de-risks future field commissioning. The end goal of this project is to advance grid technology to address the grid operation challenges brought by solar plant’s variability and uncertainties in power generation.

14 SOLAR ENERGY↗
DOE OSTI2023

Investigating permafrost carbon dynamics in Alaska with artificial intelligence

Abstract Positive feedbacks between permafrost degradation and the release of soil carbon into the atmosphere impact land–atmosphere interactions, disrupt the global carbon cycle, and accelerate climate change. The widespread distribution of thawing permafrost is causing a cascade of geophysical and biochemical disturbances with global impacts. Currently, few earth system models account for permafrost carbon feedback (PCF) mechanisms. This research study integrates artificial intelligence (AI) tools and information derived from field-scale surveys across the tundra and boreal landscapes in Alaska. We identify and interpret the permafrost carbon cycling links and feedback sensitivities with GeoCryoAI, a hybridized multimodal deep learning (DL) architecture of stacked convolutionally layered, memory-encoded recurrent neural networks (NN). This framework integratesin-situmeasurements and flux tower observations for teacher forcing and model training. Preliminary experiments to quantify, validate, and forecast permafrost degradation and carbon efflux across Alaska demonstrate the fidelity of this data-driven architecture. More specifically, GeoCryoAI logs the ecological memory and effectively learns covariate dynamics while demonstrating an aptitude to simulate and forecast PCF dynamics—active layer thickness (ALT), carbon dioxide flux (CO 2 ), and methane flux (CH 4 )—with high precision and minimal loss (i.e. ALT RMSE : 1.327 cm [1969–2022]; CO 2 RMSE : 0.697µmolCO 2 m −2 s −1 [2003–2021]; CH 4 RMSE : 0.715 nmolCH 4 m −2 s −1 [2011–2022]). ALT variability is a sensitive harbinger of change, a unique signal characterizing the PCF, and our model is the first characterization of these dynamics across space and time.

Environmental Sciences & Ecology↗
DOE OSTI2025

Benefits of Dual Fuel Heat Pump Grid-responsive Control: A Model-based Control Optimization Approach Using Building and Equipment Co-simulation

Conventional dual fuel heat pumps lack the intelligent control mechanisms to efficiently manage the switch between heat pump and furnace, leading to sub-optimal energy usage and, in some cases, increased operating costs. To resolve this gap, this study applies optimized control on hybrid heat pumps. With a focus on equipment control strategies, we compare the performances of five spacing heating equipment, including a conventional heat pump (HP), a conventional furnace, a dual fuel heat pump (DFHP) with conventional control, a dual fuel heat pump with smart control, and a novel seamlessly fuel flexible heat pump (SFFHP). While DFHP runs on either gas or electricity at any given moment, SFFHP concurrently consumes gas and electricity by continuously optimizing the proportion of each. In this research, a co-simulation framework is developed by integrating a building envelope model with a physics-based heat pump simulation model to analyze the benefits of grid-responsive controls of DFHP and SFFHP. The model-based optimal controls adjust the operation of the heat pump and gas furnace based on utility price signals and marginal grid emission to minimize utility cost and CO 2 emissions for multiple climate zones, different utility tariffs, and marginal grid emission scenarios. Case studies in Chicago and Los Angeles demonstrate that SFFHP and DFHP, with model-based optimal control, can deliver significant reductions in peak demand, utility cost, and CO 2 emission. In Chicago, SFFHP and smart controlled DFHP yield up to 64.7% and 61.7% utility cost reduction and up to 15.7% and 8.5% CO 2 emission reduction compared to the gas furnace. In Los Angeles, SFFHP and smart controlled DFHP achieve up to 43.6% and 40.1% utility cost reduction and up to 13.8% and 14.1% CO2 emission reduction compared to conventional heat pumps. In conclusion, by leveraging the fuel flexibility nature of dual fuel heat pumps, the model-based control optimization approach makes dual fuel heat pump an attractive option for demand response programs.

Control↗
DOE OSTI2026

A machine learning based approach to online electron reconstruction at CLAS12

Online reconstruction is key for monitoring purposes and real time analysis in High Energy and Nuclear Physics experiments. A necessary component of reconstruction algorithms is particle identification that combines information left by a particle passing through several detector components to identify the particle’s type. Of particular interest to electro-production Nuclear Physics experiments such as CLAS12 is electron identification which is used to trigger data recording. A machine learning approach was developed for CLAS12 to reconstruct and identify electrons by combining raw signals at the data acquisition level from several detector components. Here, this approach achieves an electron identification purity above 75% whilst retaining an efficiency close to 100%. The machine learning tools are capable of running at high rates exceeding the data acquisition rates and will allow electron reconstruction in real-time. This work enhances online analyses and monitoring and can contribute to improved triggering at CLAS12. This machine learning driven approach will also be crucial for experiments aiming to transition to streaming readout operations where online reconstruction will be a key component of the data taking paradigm.

Artificial intelligence↗
DOE OSTI2026

Cooperative Automated Cohort Driving on Connected Infrastructure, Arterial Roadways, and Highways: Final Project Demonstration and System-of-Systems Model Correlation

This project seeks to synergize vehicle automated driving and connectivity data to improve mobility and energy efficiency of groups of mixed vehicles operating in close proximity (vehicle cohort) on various infrastructure. A custom cellular communication network links vehicles operating as a cohort with infrastructure to a centralized system-of-systems digital twin with an AI-based optimal behavior planner. The data contained in this set are from final testing and technology demonstrations to U.S. Department of Energy staff at the American Center for Mobility. The data contain single-lane, single-light scenarios; multi-lane, multi-light arterial scenarios; and limited-access highway scenarios. All test cases were derived from simulations and replicated on the test track. The project employed two and four light-duty vehicles with connectivity and drive automation for the testing. The baseline scenario without connectivity was run under the control of the system-of-systems centralized planner but operating each vehicle with an intelligent driver model controlling the velocity, lane utilization, and vehicle gap. This was to ensure the highest compatibility with the simulation in terms of dynamic behavior. The connected cohort case utilized AI optimization to perform coordinated and cooperative control for energy, as well as safe, comfortable behavior for the cohort. The dataset is appropriately named with unconnected and connected designations, with comparisons sharing the same run index number. The included PowerPoint and PDF files describe the test setup and provide an overview of results from the project. ![image](de-EE0009209_March_2023_Data_Arterial_Scenario_Results.png)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Genomic factors limiting the diversity of Saccharomycotina plant pathogens

The Saccharomycotina fungi have evolved to inhabit a vast diversity of habitats over their 400-million-year evolution. There are, however, only a few known fungal pathogens of plants in this subphylum, primarily belonging to the genera Eremothecium and Geotrichum. We compared the genomes of 12 plant-pathogenic Saccharomycotina strains to 360 plant-associated strains to identify features unique to the phytopathogens. Characterization of the oxylipin synthesis genes, a compound believed to be involved in Eremothecium pathogenicity, did not reveal any differences in gene presence within or between the plant-pathogenic and plant-associated strains. A reverse-ecological approach, however, revealed that plant pathogens lack several metabolic enzymes known to assist other phytopathogens in overcoming plant defenses. This includes L-rhamnose metabolism, formamidase and nitrilase genes. This result suggests that the Saccharomycotina plant pathogens are limited to infecting ripening fruits as they are without the necessary enzymes to degrade common phytohormones and secondary metabolites produced by plants.

Saccharomycotina, fungi, phytopathogen, reverse ec↗
DOE OSTI2024

Neutrons in Structural Biology: Challenges and Opportunities (Workshop Report)

Gaining a thorough understanding of biological systems requires building our knowledge about biological processes from the level of atoms and electrons, and up to whole organisms. Such comprehensive knowledge will allow for a predictive understanding of complex biological systems behavior. It will guide us in the design and development of novel therapeutics and vaccines to tackle existing health threats and to prepare for future pandemics, and it will provide information necessary to create new biomaterials and bio-inspired technologies through manipulation of biological macromolecules, their assemblies, single cells and even microorganisms. Reaching these goals will require a synergistic combination of multiple experimental techniques with molecular calculations and predictive simulations, and the design and development of new techniques and capabilities that bridge current knowledge and technology gaps. Neutron scattering provides unique information about the biomacromolecular structure and function and can play a major role in achieving these goals. A workshop was held to engage the scientific community in identifying pressing challenges in biochemistry, structural biology, enzymology and structure-guided drug design not solved with the current neutron scattering technologies or utilizing other structural biology techniques such as X-ray crystallography, NMR, and cryo-EM. The workshop brought together structural biology, biochemistry and computational experts, as well as early career researchers and students, creating a forum for discussing scientific advancement and collaboration. The workshop included a one-day satellite training workshop where graduate students and postdoctoral researchers were educated in the application of neutron crystallography and small-angle scattering in structural biology. Furthermore, the Instrument Scientific Advisory Board (ISAB) for the development of a macromolecular neutron diffractometer at ORNL’s Second Target Station was introduced at the workshop. The major outcome was that neutrons can provide atomic-level understanding of biomacromolecular structure, function and dynamics which is of paramount importance for addressing the identified challenges. Neutron crystallography, in particular, can resolve long-standing biochemical issues regarding enzyme function by delineating the underlying chemistry and can have a major impact on the design of small-molecule therapeutics, especially in combination with molecular computation (quantum chemistry and molecular dynamics simulations) and the emerging artificial intelligence (AI)-assisted drug design technologies. The unique properties of neutrons, including their high sensitivity to hydrogen and their non-destructive nature, make them ideal probes of biological matter. There is a palpable need in the scientific community to expand and enhance the impact of neutron sciences on biology. Neutron crystallography is the only structural biology method capable of determining positions of all hydrogen atoms in proteins, nucleic acids and their complexes at near-physiological temperatures and of unstable species at cryogenic temperatures. Moreover, neutron analysis is non-ionizing, non-destructive and does not perturb the structure or redox chemistry of active site metal centers and clusters in proteins, which can be invaluable for studying radiation-sensitive metalloprotein complexes. Further, neutron energies used in scattering applications are similar to atomic motions, permitting neutron spectroscopies to characterize the dynamics of biomacromolecules on the picosecond to microsecond timescales. The different sensitivities of neutrons to protium (H) and deuterium (D) isotopes of hydrogen allow enhanced visibility of specific parts of biological complexes through isotopic labeling. The impact of neutrons will be most powerful when neutron scattering is combined with complementary experimental techniques that use photons and electrons, and with high-performance computing. The interconnection and mutuality of the experimental and theoretical capabilities will drive discoveries in biological and health sciences to generate more complete picture of complex biological systems. The major limitation in the field of biological neutron crystallography has been signal-to-noise, demanding large samples that are difficult to produce for the majority of biomacromolecules and limiting the applicability of this technique in biological sciences. A neutron crystallography instrument at the Second Target Station will revolutionize biological science with neutrons by engaging a large scientific community of structural biologists, enabling successful neutron diffraction experiments from radically smaller biomacromolecular crystals, resolving unanswered biochemical questions, and meaningfully contributing to rational drug design. The meeting highlighted 10 grand challenges that will be addressed with this advanced capability over the next decade and beyond, and the recommendations required to help address them are given below.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Heart Shape to Fracture Distance: Characterizing Hydraulic Fracture Propagation before Hits

Estimating the distance from the hydraulic fracture tip to the monitor well can be useful for fracture characterization, well spacing optimization, and preventing parent-child well interference. A heart-shaped signal is referred to as the extensional precursor of a fracture hit recorded by crosswell strain measurements and can serve as a vital tool for such estimation. This study incorporates the 3D displacement discontinuity method (DDM) to understand the impact of fracture geometry and monitor well offset on the heart-shaped signal’s characteristics. Results from numerical simulation and analytical solutions reveal a strong linear correlation between the spatial extent of the heart-shaped signal and the fracture tip distance. This relationship was further developed to predict tip distance using field data from the Hydraulic Fracture Test Site 2 (HFTS2). A reasonable approximation result from field data further validates the methodology. In addition, it is worth noting that the estimation accuracy depends on the ratio between fracture dimension and tip distance. The findings of this study offer a novel approach for real-time monitoring and characterizing hydraulic fracture propagation, which can be further used for well spacing optimization in unconventional and enhanced geothermal system reservoir development, as well as caprock integrity monitoring for carbon sequestration projects.

58 GEOSCIENCES↗
DOE OSTI2026

Artificial Intelligence for Event Reconstruction and Higgs Physics at CMS and Future Colliders

This dissertation charts a trajectory in which advances in artificial intelligence (AI) play a central role in pushing the high-energy physics frontier, complementing progress driven by higher collision energies and larger colliders. The discovery potential of the LHC and future colliders relies on accurate reconstruction of increasingly complex particle collision events. In the CMS experiment, this task is performed by the particle-flow (PF) algorithm. This dissertation presents the first implementation of a machine-learning-based particle-flow (MLPF) reconstruction in the CMS detector based on transformer architectures. In simulated top quark--antiquark pair (ttbar) events under LHC Run~3 (2023--2024) conditions, MLPF improves jet energy resolution by 10--20\% compared to standard PF for jets with transverse momentum between 30--100\GeV. Runtime performance is evaluated using simulated multijet events, with a median inference time of 20\unit{ms} per event on an NVIDIA L4 GPU, compa red to approximately 110\unit{ms} for standard PF. The MLPF algorithm is also validated on Run~3 collision data, representing the first data-validated ML-based reconstruction pipeline at any LHC experiment. We then extend MLPF toward future electron--positron colliders and introduce the first full-simulation cross-detector transfer learning workflow for PF reconstruction. The model is pre-trained on simulated events from the Compact Linear Collider detector (CLICdet) and fine-tuned on the CLIC-like detector (CLD) proposed for the Future Circular Collider (FCC). This approach achieves up to a 40\% improvement in jet energy resolution over rule-based reconstruction while reducing the required training dataset size by an order of magnitude, demonstrating the potential of AI to accelerate detector development and optimization. This dissertation also demonstrates how modern AI techniques enhance the sensitivity of LHC physics analyses. A CMS search for highly Lorentz-boosted Higgs bosons decaying to \textrm{W} boson pairs is presented, focusing on the single-lepton final state. A dedicated fine-tuning strategy for \ParT yields an approximately 70\% increase in expected sensitivity relative to the baseline model. The analysis uses proton--proton collision data at a center-of-mass energy of \ensuremath{\sqrt{s}=13\TeV} collected by CMS between 2016 and 2018, corresponding to an integrated luminosity of 138\ensuremath{\ \mathrm{fb}^{-1}}. The expected significance of the search is $1.86\sigma$, with an observed signal strength of $-0.19^{+0.48}_{-0.46}$. Finally, explainable AI techniques are applied to the MLPF and \ParticleNet algorithms using layerwise relevance propagation, showing that both models base their predictions on physically meaningful features consistent with our physics intuition. Together, these results demonstrate how advanced AI methods can enhance reconstruction, analysis sensitivity, and interpretability, shaping the next era of experimental parti cle physics.

Mokhtar, Farouk [UC, San Diego]↗
DOE OSTI2026

PRIME: An evaluation framework for protein representation inference and generalization in viral mutation space

Background Protein language models (PLMs) have revolutionized protein fitness prediction, yet their application to rapidly evolving viral pathogens is often confounded by extreme sequence homology. This homology leads to “data leakage” in standard random validation splits, yielding inflated performance metrics that fail to translate into real-world biosurveillance utility. Results We present Protein Representation Inference for Mutation Evaluation (PRIME), a framework that integrates domain-specific fine-tuning with a rigorous position-stratified validation protocol to evaluate viral threats. Using a dataset of 347,432 SARS-CoV-2 receptor binding domain (RBD) sequences, we demonstrate that while random training data split yields deceptive R 2 values (> 0.90), they fail to generalize to novel mutational sites. By benchmarking models up to 650 M parameters, we show that domain-specific fine-tuning of the ESM-C 600 M model with correctly stratified data provides an initial demonstration of predictive signal for binding affinity and expression at unseen mutational sites of binding affinity and expression on unseen sites (R 2 ~0.23), a significant advancement over base foundation models which exhibit no predictive power (R 2 <0). PRIME’s embedding-based clustering identified 3.03% of bat coronavirus sequences as candidates for further experimental prioritization based on their functional similarity to human-infective strains in embedding space, offering a perspective complementary to traditional phylogenetic methods. Conclusion PRIME establishes a new benchmark for the application of PLMs in pathogen surveillance. Our findings demonstrate that state-of-the-art models and fine-tuning, when paired with stratified validation, provide biologically meaningful insights into pathogen evolution and zoonotic risk.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Evaluation of Seismic Artificial Intelligence with Uncertainty

Artificial intelligence has transformed the seismic community with deep learning models (DLMs) that are trained to complete specific tasks within workflows. However, there is still a lack of robust evaluation frameworks for evaluating and comparing DLMs. Here, we address this gap by designing an evaluation framework that jointly incorporates two crucial aspects: performance uncertainty and learning efficiency. To target these aspects, we meticulously construct the training, validation, and test splits using a clustering method tailored to seismic data and enact an expansive training design to segregate performance uncertainty arising from stochastic training processes and random data sampling. The framework’s ability to guard against misleading declarations of model superiority is demonstrated through the evaluation of PhaseNet (Zhu and Beroza, 2018), a popular seismic phase picking DLM, under three training approaches. Our framework helps practitioners choose the best model for their problem and set performance expectations by explicitly analyzing model performance with uncertainty at varying budgets of training data.

58 GEOSCIENCES↗