Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “real time optimization”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 829 records · Page 46

Solving the Bernstein-Vazirani problem using Majorana-based topological quantum algorithms

Executing quantum algorithms using Majorana zero modes—a major milestone for the field of topological quantum computing—requires a platform that can be scaled to large quantum registers, can be controlled in real time and space, and a braiding protocol that uses the unique properties of these exotic particles. Here, we demonstrate the first successful simulation of a Majorana-based, fault-tolerant quantum algorithm to solve the Bernstein-Vazirani problem in two-dimensional magnet-superconductor hybrid structures from initialization to read-out of the final many-body state. Utilizing the Majorana zero modes’ topological properties, we introduce an optimized braiding protocol for the algorithm and a scalable architecture for its implementation with an arbitrary number of qubits. We visualize the algorithm protocol in real time and space by computing the non-equilibrium density of states, which is proportional to the time-dependent differential conductance, and the non-equilibrium charge density, which assigns a unique signature to each final state of the algorithm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Distributed quantum approximate optimization algorithm on a quantum-centric supercomputing architecture

Quantum approximate optimization algorithm (QAOA) has shown promise in solving combinatorial optimization problems by providing quantum speedup on near-term gate-based quantum computing systems. However, QAOA faces challenges for high-dimensional problems due to the large number of qubits required and the complexity of deep circuits, limiting its scalability for real-world applications. In this study, we present a distributed QAOA (DQAOA), which leverages distributed computing strategies to decompose a large computational workload into smaller tasks that require fewer qubits and shallower circuits than are necessary to solve the original problem. These sub-problems are processed using a combination of high-performance and quantum computing resources. The global solution is iteratively updated by aggregating sub-solutions, allowing convergence toward the optimal solution. We demonstrate that DQAOA can handle considerably large-scale optimization problems (e.g., 1000-bit problem), achieving a high solution quality and short time-to-solution, outperforming existing strategies. Furthermore, we realize DQAOA on a quantum-centric supercomputing architecture, paving the way for practical applications of gate-based quantum computers in real-world optimization tasks. To extend DQAOA’s applicability to materials science, we further develop an active learning algorithm integrated with our DQAOA (AL-DQAOA), which involves machine learning, DQAOA, and active data production in an iterative loop. We successfully optimize photonic structures using AL-DQAOA, indicating that solving real-world optimization problems using gate-based quantum computing is feasible. We expect the proposed DQAOA to be applicable to a wide range of optimization problems and AL-DQAOA to find broader applications in material design.

Kim, Seongmin [ORNL] (ORCID:0000000159063004)↗

Supporting ARPA-E Power Grid Optimization (Final Report)

Pacific Northwest National Laboratory (PNNL), Arizona State University (ASU), Georgia Institute of Technology (Georgia Tech), Los Alamos National Laboratory (LANL), National Renewable Energy Laboratory (NREL), Texas A&M University (TAMU), The University of Texas at Austin (UT), and the University of Wisconsin-Madison (UW-M) supported the ARPA-E Grid Optimization (GO) Competition by providing a common problem formulation, data format, datasets, evaluation mechanism, scoring, rules, and results that resulted in the awarding of $\$9.24$ million dollars to teams from academia, industry, and national labs for solving three sets of increasingly difficult non-linear, security- constrained AC Optimal Powerflow (AC-OPF) optimization problems in order to increase the efficiency of the US Electric Grid. It is estimated that a 1% increase in efficiency can save $\$1$ billion. Current industry practices typically use a linear DC model (DC-OPF) in order solve the OPF problem within the time constraints of the operation schedule. The GO Competition challenges the best power engineers, mathematicians, and computer scientists to make possible operational decisions based on accurate physical models. To accomplish this, the GO Competition created a series of Challenges and funded teams to produce the best solver. Challenge 1 was to solve the security constrained Alternating Current Optimal Power Flow (ACOPF) problem. Challenge 2 extended that to by adding adjustable transformer tap ratios, phase shifting transformers, switchable shunts, price-responsive demand, ramp rate constrained generators and loads, and fast-start unit commitment (UC). Furthermore, Challenge 2 was a maximization problem while Challenge 1 was a minimization problem. While Challenge 3 was being developed, the entrants were invited to find better solutions to the Challenge 2 synthetic datasets with no restrictions on time, hardware, or algorithms. The Challenge 2 solutions turned out to be very good. Challenge 3 expanded the Challenge 2 problem further by using multiperiod dynamic markets, including advisory models for extreme weather events, day-ahead markets, and the real-time markets with an extended look-ahead. These problems included active bid-in demand and topology optimization. Together the Challenges used nearly 30 million CPU hours. Since each team was working on the same problem, using the same data, and running on the same hardware, fair comparisons could be drawn as to the best solver. The datasets were varied enough, however, that the best solver for one dataset was not necessarily the best at another, so cumulative scores were used. The process was managed by the PNNL maintained website https://GOCompetition.energy.gov, where Entrants could find information about the problem, the data, the rules, submit their solver for evaluation, and see the scores of all the competing teams on a Leaderboard. Interest was world-wide but only American teams were eligible for prizes. The Competition has produced 34 journal articles 115 papers and been cited over 500 times in the literature, including 12 dissertations (4 from foreign countries; Columbia (2), Germany, and Italy) and 3 from the DOE ExaScale project. Software developed by Pearl Street Technologies for Challenges 1 and 2 is now deployed by Southwest Power Pool (SPP) and Midcontinent Independent Service Operator (MISO). Other teams have received inquiries from venture capitalists. Google DeepMind has thanked the Competition for making the datasets developed for the Competition public. They are using it to train machine learning models. The larger datasets have billions of unknowns to be solved for, but only a small percent matter in the final solution. Knowing what unknowns are important can dramatically speedup the solution.

24 POWER TRANSMISSION AND DISTRIBUTION↗

ARCS: Agentic Retrieval-Augmented Code Synthesis with Iterative Refinement

Agentic Retrieval-Augmented Code Synthesis with Iterative RefinementIn supercomputing, efficient and optimized code generation is essential to leverage high-performance systems effectively. We have developed Agentic Retrieval-Augmented Code Synthesis (ARCS), an advanced framework for accurate, robust, and efficient code generation, completion, and translation. ARCS integrates Retrieval-Augmented Generation (RAG) with Chain-of-Thought (CoT) reasoning to systematically break down and iteratively refine complex programming tasks. An agent-based RAG mechanism retrieves relevant code snippets, while real-time execution feedback drives the synthesis of candidate solutions. This process is formalized as a state-action search tree optimization, balancing code correctness with editing efficiency. Evaluations on the Geeks4Geeks and HumanEval benchmarks demonstrate that ARCS significantly outperforms traditional prompting methods in translation and generation quality. By enabling scalable and precise code synthesis, ARCS offers transformative potential for automating and optimizing code development in supercomputing applications, enhancing computational resource utilization

Bhattarai, Manish [Los Alamos National Labs]↗

AI for Experimental Controls at Jefferson Lab

We report the AI for Experimental Controls project is developing an AI system to control and calibrate detector systems located at Jefferson Laboratory. Currently, calibrations are performed offline and require significant time and attention from experts. This work would reduce the amount of data and the amount of time spent calibrating in an offline setting. The first use case involves the Central Drift Chamber (CDC) located inside the GlueX spectrometer in Hall D. We use a combination of environmental and experimental data, such as atmospheric pressure, gas temperature, and the flux of incident particles as inputs to a sequential Neural Network (NN) to recommend a high voltage setting and the corresponding calibration constants in order to maintain consistent gain and optimal resolution throughout the experiment. Utilizing AI in this manner represents an initial shift from offline calibration towards near real time calibrations performed at Jefferson Laboratory.

47 OTHER INSTRUMENTATION↗

Autonomous Synthesis of Metastable Materials Using a Modular Mixed-Flow Reactor

Understanding and controlling atomic-level processes at solid-liquid interfaces is key to advancing technologies in energy storage, carbon capture, critical element recovery, and materials synthesis. Many of these processes are dominated by the formation of short-lived intermediate precipitates that determine the final properties of synthesized materials. However, studying these intermediates is challenging due to their sensitivity and the reliance on trial-and-error methods. To address this, we developed an automated variable-volume mixed-flow reactor (MFR) to optimize metastable material synthesis and investigate rapid kinetic processes. This state-of-the-art MFR system, paired with an automated modeling framework, enables efficient synthesis and real-time analysis of transient phases. Benchmarking with advanced capabilities, such as wide-/small-angle X-ray scattering, allows us to resolve fast nucleation and growth dynamics that were previously inaccessible. By combining automation, ML-guided optimization, and tailored kinetic modeling, this approach provides a robust platform for improving material design and achieving precise control over solid-liquid reactions.

36 MATERIALS SCIENCE↗

I ntera C hem : Exploring Excited States in Virtual Reality with Ab Initio Interactive Molecular Dynamics

InteraChem is an ab initio interactive molecular dynamics (AI-IMD) visualizer that leverages recent advances in virtual reality hardware and software, as well as the graphical processing unit (GPU)-accelerated TeraChem electronic structure package, in order to render quantum chemistry in real time. We introduce the exploration of electronically excited states via AI-IMD using the floating occupation molecular orbital-complete active space configuration interaction method. The optimization tools in InteraChem enable identification of excited state minima as well as minimum energy conical intersections for further characterization of excited state chemistry in small- to medium-sized systems. We demonstrate that finite-temperature Hartree–Fock theory is an efficient method to perform ground state AI-IMD. InteraChem allows users to track electronic properties such as molecular orbitals and bond order in real time, resulting in an interactive visualization tool that aids in the interpretation of excited state chemistry data and makes quantum chemistry more accessible for both research and educational purposes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Smart Mobility in the Cloud: Enabling Real-Time Situational Awareness and Cyber-Physical Control Through a Digital Twin for Traffic

This article presents the design, implementation, and use cases of the Chattanooga Digital Twin (CTwin) towards the vision for next-generation smart city applications for urban mobility management. CTwin is an end-to-end web-based platform that incorporates various aspects of the decision-making process for optimizing urban transportation systems in Chattanooga, Tennessee, to reduce traffic congestion, incidents, and vehicle fuel consumption. The platform serves as a cyberinfrastructure to collect and integrate multi-domain urban mobility data from various online repositories and Internet of Things (IoT) sensors, covering multiple urban aspects (e.g., traffic, natural hazards, weather, and safety) that are relevant to urban mobility management. The platform enables advanced capabilities for: (a) real-time situational awareness on traffic and infrastructure conditions on highways and urban roads, (b) cyber-physical control for optimizing traffic signal timing, and (c) interactive visual analytics on big urban mobility data and various metrics for traffic prediction and transportation performance evaluation. The platform is designed using a multi-level componentization paradigm and is implemented using modular and adaptive architecture, rendering it as a generalizable and extendable prototype for other urban management applications. We present several use cases to demonstrate CTwin's core capabilities for supporting decision-making in smart urban mobility management.

33 ADVANCED PROPULSION SYSTEMS↗

Resource Prospector Instrumentation for Lunar Volatiles Prospecting, Sample Acquisition and Processing

Data gathered from lunar missions within the last two decades have significantly enhanced our understanding of the volatile resources available on the lunar surface, specifically focusing on the polar regions. Several orbiting missions such as Clementine and Lunar Prospector have suggested the presence of volatile ices and enhanced hydrogen concentrations in the permanently shadowed regions of the moon. The Lunar Crater Observation and Sensing Satellite (LCROSS) mission was the first to provide direct measurement of water ice in a permanently shadowed region. These missions with other orbiting assets have laid the groundwork for the next step in the exploration of the lunar surface; providing ground truth data of the volatiles by mapping the distribution and processing lunar regolith for resource extraction. This next step is the robotic mission Resource Prospector (RP). Resource Prospector is a lunar mission to investigate 'strategic knowledge gaps' (SKGs) for in-situ resource utilization (ISRU). The mission is proposed to land in the lunar south pole near a permanently shadowed crater. The landing site will be determined by the science team with input from broader international community as being near traversable landscape that has a high potential of containing elevated concentrations of volatiles such as water while maximizing mission duration. A rover will host the Regolith & Environment Science and Oxygen & Lunar Volatile Extraction (RESOLVE) payload for resource mapping and processing. The science instruments on the payload include a 1-meter drill, neutron spectrometer, a near infrared spectrometer, an operations camera, and a reactor with a gas chromatograph-mass spectrometer for volatile analysis. After the RP lander safely delivers the rover to the lunar surface, the science team will guide the rover team on the first traverse plan. The neutron spectrometer (NS) and near infrared (NIR) spectrometer instruments will be used as prospecting tools to guide the traverse path. The NS will map the water-equivalent hydrogen concentration as low as 0.5% by weight to an 80 centimeter depth as the rover traverses the lunar landscape. The NIR spectrometer will measure surficial H2O/OH as well as general mineralogy. When the prospecting instruments identify a potential volatile-rich area during the course of a traverse, the prospect is then mapped out and the most promising location identified. An augering drill capable of sampling to a depth of 100 centimeters will excavate regolith for analysis. A quick assay of the drill cuttings will be made using an operations camera and NIR spectrometer. With the water depth confirmed by this first auguring activity, a regolith sample may be extracted for processing. The drill will deliver the regolith sample to a crucible that will be sealed and heated. Evolved volatiles will be measured by a gas chromatograph-mass spectrometer and the water will be captured and photographed. RP is a solar powered mission, which given the polar location translates to a relatively short mission duration on the order of 4-15 days. This short mission duration drives the concept of operations, instrumentation, and data analysis towards critical real time analysis and decision support. Previous payload field tests have increased the fidelity of the hardware, software, and mission operations. Current activities include a mission level field test to optimize interfaces between the payload and rover as well as better understand the interaction of the science and rover teams during the mission timeline. This paper will include the current status of the science instruments on the payload as well as the integrated field test occurring in fall of 2015. The concept of operations will be discussed, including the real time science and engineering decision-making process based on the critical data from the instrumentation. The path to flight will be discussed with the approach to this ambitious low cost mission.

ISRU↗

In situ characterization of material extrusion printing by near-infrared spectroscopy

Material extrusion printing of reactive resins and inks present a unique challenge due to the time-dependent nature of the rheological and chemical properties they possess. As a result, careful print optimization or process control is important to obtain consistent, high quality prints via additive manufacturing. Here, we present the design and use of a near-infrared (NIR) flow through cell for in situ chemical monitoring of reactive resins during printing. Differences between in situ and off-line benchtop measurements are presented and highlight the need for in-line monitoring capability. Additionally, in-line extrusion force monitoring and off-line post inspection using machine vision is demonstrated. By combining NIR and extrusion force monitoring, it is possible to follow cure reaction kinetics and viscosity changes during printing. When combined with machine vision, the ability to automatically identify and quantify print artifacts can be incorporated on the printing line to enable real-time, artificial intelligence-assisted quality control of both process and product. Together, these techniques form the building blocks of an optimized closed-loop process control strategy when complex reactive inks must be used to produce printed hardware.

36 MATERIALS SCIENCE↗

Evaluating near-real time satellite flood mapping for humanitarian early action: a case study on the 2020 Cambodia floods

Forecast-based early action is an increasingly popular framework advocating for the use of numerical weather prediction to set objective, automatic conditions for roll-out of proactive flood risk reduction efforts. Within this field, there is a relatively young discourse regarding the potential value of satellite Earth observations and the optimal role that remote sensing should play in improving the efficacy and value of forecast-based early action for flood management. The Hydrological Remote Sensing Analysis for Floods tool (HYDRAFloods) was developed to provide automated, near real-time satellite-based flood extent maps to local governments, disaster managers, and humanitarian organizations. This research evaluates (a.) whether HYDRAFloods satisfactorily met needs identified by humanitarian partners during the October 2020 floods in Cambodia, and (b.) whether the novel additions of near real-time data and flood extent mapping resulted in demonstrable advantages over previous forecast-based flood early action systems as identified in the literature. From these results, the authors identify the technological and logistical limitations of the HYDRAFloods methodology and synthesize actionable recommendations for Earth observations practitioners seeking to better support forecast-based early action.

floods↗

Charge Management for an Inductively Charged On-Demand Battery-Electric Shuttle Service with High Penetration of Renewable Energy

This paper presents a charge management control strategy for an on-demand battery-electric shuttle van operating at the National Renewable Energy Laboratory (NREL) campus and supported by day-time inductive charging at the vehicle's waiting spot. A new control algorithm has been proposed for reducing the demand charge costs incurred from wireless charging of the on-demand shuttle. A custom controller has been developed to monitor the shuttle, wireless charger, renewable energy generation, and various loads at NREL's campus, and regulate charging behavior for demand response. The intermittent renewable generation and sporadic operation of the on-demand shuttle service contribute to a high level of uncertainty in expected campus load profile, which must be carefully managed. The control algorithm predicts energy profile to estimate the mobility needs of the vehicle and maintain uninterrupted service during operation while still minimizing peak demand. The proposed controller has been designed and optimized using a Simulink model for the entire system. Next, it has been implemented and tested in real-time on the NREL campus. Two primary vehicle-use cases, charge sustaining and charge depletion operation, are tested under different load profiles and drive cycles to assess the controller's effectiveness at reducing peak demand and therefore demand charges. The proposed controller showed robust performance under different driving scenarios with high correlation between simulated and experimental data. The results showed that proper demand response can be achieved with an average of 94% reduction of charging loads during peak demand events.

ADVANCED PROPULSION SYSTEMS,ENERGY STORAGE↗

Efficient prediction of attosecond two-colour pulses from an X-ray free-electron laser with machine learning

Abstract X-ray free-electron lasers are sources of coherent, high-intensity X-rays with numerous applications in ultra-fast measurements and dynamic structural imaging. Due to the stochastic nature of the self-amplified spontaneous emission process and the difficulty in controlling injection of electrons, output pulses exhibit significant noise and limited temporal coherence. Standard measurement techniques used for characterizing two-coloured X-ray pulses are challenging, as they are either invasive or diagnostically expensive. In this work, we employ machine learning methods such as neural networks and decision trees to predict the central photon energies of pairs of attosecond fundamental and second harmonic pulses using parameters that are easily recorded at the high-repetition rate of a single shot. Using real experimental data, we apply a detailed feature analysis on the input parameters while optimizing the training time of the machine learning methods. Our predictive models are able to make predictions of central photon energy for one of the pulses without measuring the other pulse, thereby leveraging the use of the spectrometer without having to extend its detection window. We anticipate applications in X-ray spectroscopy using XFELs, such as in time-resolved X-ray absorption and photoemission spectroscopy, where improved measurement of input spectra will lead to better experimental outcomes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Implementation of a High-Speed Multichannel Data Acquisition System for Magnetic Diagnostics and Plasma Centroid Position Control in ISTTOK

In tokamak and other fusion devices, magnetic control is the main tool that allows to regulate the plasma current, position and shape; it is in charge of actuating the desired plasma current waveform, steering the plasma position to a given set point and maintain the plasma shape close to a prescribed plasma equilibrium. This work describes the application of several physics concepts and computational tools in order to obtain a novel optimal controller for the plasma centroid position, which has been implemented and tested in the real-time plasma control system at the ISTTOK tokamak. A key point for the development of the new control system was the installation of a recently upgraded hardware, that numerically integrates in real-time the magnetic probes signals.

poloidal field coils↗

PDPTW-DB: MILP-Based Offline Route Planning for PDPTW with Driver Breaks

The Pickup and Delivery Problem with Time Windows (PDPTW) involves optimizing routes for vehicles to meet pickup and delivery requests within specific time constraints, a challenge commonly faced in logistics and transportation. Microtransit, a flexible and demand-responsive service using smaller vehicles within defined zones, can be effectively modeled as a PDPTW. Yet, the need for driver breaks—a key human constraint—is frequently overlooked in PDPTW solutions, despite being necessary for regulatory compliance. This study presents a novel mixed-integer linear programming formulation for the Pickup and Delivery Problem with Time Windows and Driver Breaks (PDPTW-DB). To the best of our knowledge this formulation is the first to consider mandatory periodic driver breaks within optimized Microtransit routes. The proposed model incorporates regulatory compliant break scheduling directly within the vehicle routing optimization framework. By considering driver break requirements as an integral component of the optimization process, rather than as a post-processing step, the model enables the generation of routes that respect hours of service regulations while minimizing operational costs. This integrated approach facilitates the generation of schedules that are operationally efficient and prioritize driver welfare through driver breaks. We work with a public transit agency from the southern USA, and highlight the specific nuances of driver break optimization, and present a Pickup and Delivery Problem with Time Windows formulation for optimizing Microtransit operations and scheduling driver breaks. We validate our approach using real-world data from the transit agency. Our results validate our formulation in producing cost-effective, and regulation-compliant solutions.

Applied Computing, Transportation↗

CGSim: A Simulation Framework for Large Scale Distributed Computing Environment

Large-scale distributed computing infrastructures such as the Worldwide LHC Computing Grid (WLCG) require comprehensive simulation tools for evaluating performance, testing new algorithms, and optimizing resource allocation strategies. However, existing simulators suffer from limited scalability, hardwired algorithms, lack of real-time monitoring, and inability to generate datasets suitable for modern machine learning approaches. We present CGSim, a simulation framework for large-scale distributed computing environments that addresses these limitations. Built upon the validated SimGrid simulation framework, CGSim provides high-level abstractions for modeling heterogeneous grid environments while maintaining accuracy and scalability. Key features include a modular plugin mechanism for testing custom workflow scheduling and data movement policies, interactive real-time visualization dashboards, and automatic generation of event-level datasets suitable for AI-assisted performance modeling. We demonstrate CGSim’s capabilities through a comprehensive evaluation using production ATLAS PanDA workloads, showing significant calibration accuracy improvements across WLCG computing sites. Scalability experiments show near-linear scaling for multi-site simulations, with distributed workloads achieving 6 × better performance compared to single-site execution. The framework enables researchers to simulate WLCG-scale infrastructures with hundreds of sites and thousands of concurrent jobs within practical time budget constraints on commodity hardware.

Vatsavai, Sairam Sri [Brookhaven National Laborato↗

AI in Science Communication

Generative AI has brought innovations across multiple fields, offering great tools for enhanced communication and efficiency. This project focused on developing a custom AI chatbot using OpenAI's Chat GPT (GPT-4o) to support the Fermilab communications team. An analysis identified Chat GPT as the optimal choice, leading to the adoption of its team version and the implementation of a real-time JSON schema for website scanning. Four distinct personas were created to tailor responses to specific audiences, and Fermilab's published content was uploaded to ensure tone consistency. The training involved iterative prompt trials, resulting in a responsive and effective communication assistant. Initial evaluations indicate that the custom GPT shows promise.

Valle, Diego↗

Some data processing requirements for precision Nap-Of-the-Earth (NOE) guidance and control of rotorcraft

Nap-Of-the-Earth (NOE) flight in a conventional helicopter is extremely taxing for two pilots under visual conditions. Developing a single pilot all-weather NOE capability will require a fully automatic NOE navigation and flight control capability for which innovative guidance and control concepts were examined. Constrained time-optimality provides a validated criterion for automatically controlled NOE maneuvers if the pilot is to have confidence in the automated maneuvering technique. A second focus was to organize the storage and real-time updating of NOE terrain profiles and obstacles in course-oriented coordinates indexed to the mission flight plan. A method is presented for using pre-flight geodetic parameter identification to establish guidance commands for planned flight profiles and alternates. A method is then suggested for interpolating this guidance command information with the aid of forward and side looking sensors within the resolution of the stored data base, enriching the data content with real-time display, guidance, and control purposes. A third focus defined a class of automatic anticipative guidance algorithms and necessary data preview requirements to follow the vertical, lateral, and longitudinal guidance commands dictated by the updated flight profiles and to address the effects of processing delays in digital guidance and control system candidates. The results of this three-fold research effort offer promising alternatives designed to gain pilot acceptance for automatic guidance and control of rotorcraft in NOE operations.

Clement, Warren F.↗