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An adaptive stochastic sequential quadratic programming with differentiable exact augmented lagrangians

In this study, we consider solving nonlinear optimization problems with a stochastic objective and deterministic equality constraints. We assume for the objective that its evaluation, gradient, and Hessian are inaccessible, while one can compute their stochastic estimates by, for example, subsampling. We propose a stochastic algorithm based on sequential quadratic programming (SQP) that uses a differentiable exact augmented Lagrangian as the merit function. To motivate our algorithm design, we first revisit and simplify an old SQP method Lucidi developed for solving deterministic problems, which serves as the skeleton of our stochastic algorithm. Based on the simplified deterministic algorithm, we then propose a non-adaptive SQP for dealing with stochastic objective, where the gradient and Hessian are replaced by stochastic estimates but the stepsizes are deterministic and prespecified. Finally, we incorporate a recent stochastic line search procedure Paquette and Scheinberg into the non-adaptive stochastic SQP to adaptively select the random stepsizes, which leads to an adaptive stochastic SQP. The global "almost sure" convergence for both non-adaptive and adaptive SQP methods is established. Numerical experiments on nonlinear problems in CUTEst test set demonstrate the superiority of the adaptive algorithm.

97 MATHEMATICS AND COMPUTING↗

Powering the Woods Hole X-Spar Buoy with Ocean Wave Energy—A Control Co-Design Feasibility Study

Despite its success in measuring air–sea exchange, the Woods Hole Oceanographic Institution’s (WHOI) X-Spar Buoy faces operational limitations due to energy constraints, motivating the integration of an energy harvesting apparatus to improve its deployment duration and capabilities. This work explores the feasibility of an augmented, self-powered system in two parts. Part 1 presents the collaborative design between X-Spar developers and wave energy researchers translating user needs into specific functional requirements. Based on requirements like desired power levels, deployability, survivability, and minimal interference with environmental data collection, unsuitable concepts are pre-eliminated from further feasibility study consideration. In part 2, we focus on one of the promising concepts: an internal rigid body wave energy converter. We apply control co-design methods to consider commercial of the shelf hardware components in the dynamic models and investigate the concept’s power conversion capabilities using linear 2-port wave-to-wire models with concurrently optimized control algorithms that are distinct for every considered hardware configuration. During this feasibility study we utilize two different control algorithms, the numerically optimal (but acausal) benchmark and the optimized damping feedback. We assess the sensitivity of average power to variations in drive-train friction, a parameter with high uncertainty, and analyze stroke limitations to ensure operational constraints are met. Our results indicate that a well-designed power take-off (PTO) system could significantly extend the WEC-Spar’s mission by providing additional electrical power without compromising data quality.

autonomous systems↗

Online State Estimation for Time-Varying Systems

The paper investigates the problem of estimating the state of a time-varying system with a linear measurement model; in particular, the paper considers the case where the number of measurements available can be smaller than the number of states. In lieu of a batch linear least-squares (LS) approach well-suited for static networks, where a sufficient number of measurements could be collected to obtain a full-rank design matrix the paper proposes an online algorithm to estimate the possibly time-varying state by processing measurements as and when available. The design of the algorithm hinges on a generalized LS cost augmented with a proximal-point-type regularization. With the solution of the regularized LS problem available in closed-form, the online algorithm is written as a linear dynamical system where the state is updated based on the previous estimate and based on the new available measurements. Conditions under which the algorithmic steps are in fact a contractive mapping are shown, and bounds on the estimation error are derived for different noise models. Numerical simulations are provided to corroborate the analytical findings.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Advanced Research Directions on AI for Science, Energy, and Security: Report on Summer 2022 Workshops

Over the past decade, fundamental changes in artificial intelligence (AI)—from foundational to applied—have delivered dramatic insights across a wide breadth of U.S. Department of Energy (DOE) mission space. AI is helping to augment and improve scientific and engineering workflows (e.g., for control, design, and dramatic performance gains through surrogate models) in national security, the Office of Science, and DOE’s applied energy programs. The progress and potential for AI in DOE science was captured in the 2020 “AI for Science” report from the DOE laboratory community in collaboration with academia and industry. Specific scientific areas ready to further leverage the power of AI ranged from the scale and performance of computational models to data analysis to creating new classes of observations using computer vision. Since that report, the scale and scope of scientific AI have accelerated, revealing new, emergent properties that yield insights that go beyond enabling opportunities to being potentially transformative in the way that scientific problems are posed and solved. Thus, under the guidance of both the Office of Science (SC) and the National Nuclear Security Administration (NNSA), the DOE national laboratories organized a series of workshops in 2022 to gather input on new and rapidly emerging opportunities and challenges of scientific AI. This 2023 report is a synthesis of those workshops. The scientific community believes AI can have a foundational impact on a broad range of DOE missions, including science, energy, and national security. Further, DOE has unique capabilities that enable the community to drive progress in scientific use of AI, building on long-standing DOE strengths and investments in computation, data, and communications infrastructure, spanning the Energy Sciences Network (ESnet), the Exascale Computing Project (ECP), and integrative programs such as the NNSA Office of Defense Programs Advanced Simulation and Computing (ASC) and the SC Scientific Discovery through Advanced Computing (SciDAC) programs.

97 MATHEMATICS AND COMPUTING↗

High-Reliability Systems and the Control of National Security Data and Information

High-reliability systems are characterized by catastrophic implications in the event of failure. These implications can include substantive damage to the environment, social order, and loss of life. Examples of high-reliability systems include nuclear submarines, nuclear reactors, the electric grid, and nuclear weapons. Due to the catastrophic implications of failure, there are heightened awareness and control mechanisms surrounding related data and information. However, defining the difference between data and information is often ambiguous across scholarly disciplines and in United States policy and legislation. For high-reliability systems, the implications of ambiguity between data and information may affect the security of United States interests and even cost lives. For security, data are raw facts or figures without context, while information is the compilation or articulation of data that forms context. Security depends on clarity in the differences between data and information and how to control them. Control is necessary to ensure that data and information are not unintentionally released to foreign governments, the public, or those without need-to-know. A primary concern in the practice of security is the control of data to avoid the unintended conversion to information. Intra-institutionally, this control is highly complex given the amalgam of legacy data systems and the numerous and constantly evolving nature of modern data systems that were not necessarily designed to be integrated. The complexity of this concern is augmented when institutions are part of interinstitutional collaborations or networks of public-private partnerships that share data and information. Additionally, institutions that share data as a function of policy and legislative action— particularly formally integrated data and information system infrastructures—may be at higher security risk. This paper will present an intra-institutional paradigm that utilizes and integrates concepts from numerous disciplines to frame a critical and underspecified practical issue in security—controlling for the unintended conversion of data to information.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

High-Reliability Systems and the Control of National Security Data and Information

High-reliability systems are characterized by catastrophic implications in the event of failure. These implications can include substantive damage to the environment, social order, and loss of life. Examples of high-reliability systems include nuclear submarines, nuclear reactors, the electric grid, and nuclear weapons. Due to the catastrophic implications of failure, there are heightened awareness and control mechanisms surrounding related data and information. However, defining the difference between data and information is often ambiguous across scholarly disciplines and in United States policy and legislation. For high-reliability systems, the implications of ambiguity between data and information may affect the security of United States interests and even cost lives. For security, data are raw facts or figures without context, while information is the compilation or articulation of data that forms context. Security depends on clarity in the differences between data and information and how to control them. Control is necessary to ensure that data and information are not unintentionally released to foreign governments, the public, or those without need-to-know. A primary concern in the practice of security is the control of data to avoid the unintended conversion to information. Intra-institutionally, this control is highly complex given the amalgam of legacy data systems and the numerous and constantly evolving nature of modern data systems that were not necessarily designed to be integrated. The complexity of this concern is augmented when institutions are part of inter-institutional collaborations or networks of public-private partnerships that share data and information. Additionally, institutions that share data as a function of policy and legislative action—particularly formally integrated data and information system infrastructures—may be at higher security risk. This paper will present an intra-institutional paradigm that utilizes and integrates concepts from numerous disciplines to frame a critical and underspecified practical issue in security—controlling for the unintended conversion of data to information.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

A New Concept for Kilotonne Scale Liquid Argon Time Projection Chambers

We develop a novel Time Projection Chamber (TPC) concept suitable for deployment in kilotonne-scale detectors, with a charge-readout system free from reconstruction ambiguities, and a robust TPC design that reduces high-voltage risks while increasing the coverage of the light-collection system and maximizing the active volume. This novel concept could be used as a far detector module in the Deep Underground Neutrino Experiment (DUNE). For the charge-readout system, we used the charge-collection pixels and associated application-specific integrated circuits currently being developed for the liquid argon (LAr) component of the DUNE Near Detector design, ArgonCube. In addition, we divided the TPC into a number of shorter drift volumes, reducing the total voltage used to drift the ionization electrons, and minimizing the stored energy per TPC. Segmenting the TPC also contains scintillation light, allowing for precise trigger localization and a more expansive light-readout system. Furthermore, the design opens the possibility of replacing or upgrading components. These augmentations could substantially improve the reliability and the sensitivity, particularly for low-energy signals, in comparison to traditional monolithic LArTPCs with projective-wire charge readouts.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Modification of Jet Velocities in an Explosively Loaded Copper Target with a Conical Cavity

Here, in this work, the design and execution of an experiment with the goal of demonstrating control over the evolution of a copper jet is described. Simulations show that when using simple multi-material buffers placed between a copper target with a conical cavity and a cylinder of high-explosive, a variety of jetting behaviors occur based on material placement, including both jet velocity augmentation and mitigation. A parameter sweep was performed to determine optimal buffer designs in two configurations. Experiments using the optimal buffer designs verified the effectiveness of the buffers at altering jet velocities. Similar trends were shown between the experimental results and the modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Challenges and Solutions for Fast Neutron Irradiation of Bulk Material Specimens

Reactor developers continue to recognize opportunities for further enhancing fast spectrum reactor designs with advanced core materials, but all the material test reactors currently available to the United States are thermal spectrum designs. Fortunately, the Advanced Test Reactor and High Flux Isotope Reactor are versatile high flux facilities where spectral modification strategies can be used to reduce undesirable thermal neutron capture transmutation damage and augment fast flux delivered to specimens. New opportunities to leverage high flux regions and specially designed fast flux boosting experiment configurations can be used to achieve meaningful fast fluences on large specimens in ATR. New optimization potentials can be employed to achieve even higher fluences, albeit for smaller specimens, using thermal neutron filters in HFIR test positions. These capabilities, while not true fast reactors, can provide highly relevant environments for researchers needing to study the effects of fast neutron damage in bulk material specimens.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Virtual and Augmented Realities to Support Development, Training, Deployment, and Operations of Remote Systems - 20516

Throughout the U.S. Department of Energy complex, there is a need to deploy new, unique equipment and systems for cleanup activities, waste processing, infrastructure repair, and decommissioning and demolition in radioactive and hazardous environments. The new equipment often consists of custom systems created by integrating and modifying commercial technologies. In addition, the systems are deployed in unique environments due to limited access, waste properties, and the presence of previously installed equipment or infrastructure that has been left in place. The deployment of custom systems that are 'turnkey' ready for first-time installation and application has its risks. Use of test platforms and mockups for cold (i.e., non-radioactive) testing is one method to mitigate that risk: however, full-scale test mockups for operations such as waste retrieval and tank inspection can be expensive and must be modified to incorporate the uniqueness of each application. An alternative to full-scale mockups is to use three-dimensional (3D) virtual environments and virtual reality (VR) technology to develop interactive virtual test beds. These can be used throughout the down-selection, development, system integration, operational planning, operator training, and mission execution phases of a task. Virtual test beds are readily reconfigured, can be used for multiple tasks, support multiple users in parallel, and can accommodate enhancements and changes not originally planned or conceived in the initial design. Virtual test beds also provide a platform for developing and testing augmented reality (AR) tools for improving operator efficiency. A VR experience has been generated for waste retrieval from a Hanford waste tank to present the potential applications of a virtual test bed. Features of the VR experience are presented, potential applications of VR and AR for remote applications are discussed, and development areas for improving future application are considered. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Spatially Adaptive Tunable Lighting Control System with Expanded Wellness and Energy Saving Benefits

Lighting design is becoming increasingly complex, including active dimming for energy savings and spectral tuning for human wellbeing. Modern commercial lighting control systems are already difficult to use, and maintain, and even with so-called Smart Lighting, optimizing light settings is rapidly exceeding the capabilities of direct human control, limiting the adoption of lighting control systems. The growing importance of Occupancy Centric Controls (OCC) for advanced building management systems can be applied to the development of autonomous lighting system controls needed to drive the adoption of advanced lighting controls for improved adaptive “sculpted illumination” for both greater energy savings and broader human wellbeing perspectives. This project, led by Rensselaer Polytechnic Institute, entitled “Spatially adaptive tunable lighting control system with expanded wellness and energy saving benefits” will develop and test an entirely new platform for automated optimized lighting design and control that requires little or no human engagement, yet contours lighting profiles automatically to minimize lighting energy use. We call this approach to lighting control “dynamic light sculpting” since the right amount of illumination is automatically delivered to occupants in real time. Since the system uses new, privacy-preserving occupant position and pose detection technologies developed by Rensselaer for broad OCC building applications, the control system will analyze how to deliver the right amount of the right type of illumination only where and when it is needed based these OCC platforms. To create these powerful autonomous lighting control platforms, the project will integrate evolving augmented reality (AR) and virtual reality (VR) tools with sophisticated lighting and interior design toolkits to create interactive lighting design and control simulators. Using the quickly growing paradigm of digital twins, these tools will integrate light fixture properties, occupancy sensor data, interior design data, and lighting specifications to accurately visualize how various design concepts interact with simulated yet realistic human activities that occur in commercial office buildings of various types. These advanced digital twin design and simulation tools will be combined with a new class of digitally-programmable LED lighting fixtures that can dynamically change the spectral content and direction of light emission. When fully integrated, the new autonomous lighting control system will take all of the guesswork out of optimizing light quality while minimizing energy consumption. Digital twin tools will simplify the design, installation, commissioning, operation, and maintenance of future energy-efficient lighting systems. It should be possible to reduce lighting energy costs from 40% to 70% with OCC based dynamic light sculpting systems. The work will be led by the Center for Lighting Enabled Systems and Applications (LESA) and the Center for Architectural Science and Ecology (CASE), both at Renssealer Polytechnic Institute; Lumileds, a global leader in the development of advanced LED systems; and HKS, a leading global architecture design firm. This interdisciplinary project team’s experience includes all of the design simulation tools, VR/AR digital twin visualization technology, advanced occupancy sensing technology, and complex control system design capabilities that will revolutionize lighting design and control technology to autonomously deliver high-quality lighting that improves human health and wellbeing while simultaneously maximizing lighting energy savings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Control, Fault Management, and Grid Support Functionality of an MV AC-DC Solid State Transformer based EV Extreme Fast Charging Station

Electric vehicles (EVs) have become increasingly popular in recent times while revolutionizing the consumer and commercial transportation market. The development of charging infrastructure has become one of the priorities for increasing the adoption of EVs. Extreme fast charging (XFC) technology can reduce the so-called ’range anxiety’ of consumers as they significantly reduce the charging time. With the advent of wide band-gap (WBG) power devices and improvement in power electronic converters, medium voltage (MV) solid state transformer (SST) based XFC system has the potential to replace the traditional XFC stations because of the lower footprint, ease of installation, enhanced control feature, and better system efficiency. The control system design is one of the critical aspects of the SST development process. Careful consideration and detailed analysis are required to find out suitable control method for the SST based on its topology among different centralized and decentralized control architectures. Also, the control parameters selection and potential improvement to the transient response of the controller ought to be investigated. Another major concern of the SST is different types of internal fault which reduces the overall reliability of the XFC system. As a result, designing a robust protection system is essential. Among different fault modes, open circuit switch faults have received significant attention as an active research area because of their likelihood and severe effects on converters. Therefore, the power stages used in the XFC system require functional and accurate open circuit switch fault management methods. An equally significant aspect of this SST based XFC is its compatibility in a microgrid where there is no synchronous generator present. When the grid is not available, the XFC SSTs can provide grid forming capability and continue supplying the critical loads in islanded mode. The transition between grid connected and islanded mode, especially the grid resynchronization process has to be carefully performed for the safety of the microgrid components. The challenges posed by the aforementioned issues have inspired the work done in this dissertation. Here, a 13.2 kV, 1 MVA, AC/DC SST for the XFC system is examined and a comparative analysis is conducted to select the control architecture based on feasibility of implementation and performance. A detailed control parameter design process is demonstrated considering the sensor dynamics and delay. The selected decentralized control method is augmented by introducing a novel sensor-less load current feedforward method to provide better voltage regulation at the DC bus during a change of load. Next, in the fault management section, a hierarchical failure mode effect analysis (FMEA) is proposed to enable a systematic design of the internal fault protection of the XFC SST as there are limited examples in the literature regarding the analysis of the safety and design of the protection of a power electronic converter system. Novel open circuit switch fault management methods for the converters in the system are presented. Finally, XFC SST based MV microgrid operations in grid connected mode and islanded mode are explored. A secondary control method for grid resynchronization is presented and a design process of control parameters is shown to ensure the stability of the secondary voltage and frequency regulation.

30 DIRECT ENERGY CONVERSION↗

Reinforcement learning pulses for transmon qubit entangling gates

The utility of a quantum computer is highly dependent on the ability to reliably perform accurate quantum logic operations. For finding optimal control solutions, it is of particular interest to explore model-free approaches, since their quality is not constrained by the limited accuracy of theoretical models for the quantum processor—in contrast to many established gate implementation strategies. In this work, we utilize a continuous control reinforcement learning algorithm to design entangling two-qubit gates for superconducting qubits; specifically, our agent constructs cross-resonance and CNOT gates without any prior information about the physical system. Using a simulated environment of fixed-frequency fixed-coupling transmon qubits, we demonstrate the capability to generate novel pulse sequences that outperform the standard cross-resonance gates in both fidelity and gate duration, while maintaining a comparable susceptibility to stochastic unitary noise. We further showcase an augmentation in training and input information that allows our agent to adapt its pulse design abilities to drifting hardware characteristics, importantly, with little to no additional optimization. Our results exhibit clearly the advantages of unbiased adaptive-feedback learning-based optimization methods for transmon gate design.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Sensor Impacts Evaluation and Verification: Expert Interview Responses

The sensor configuration/deployment method has critical impacts on energy efficient building control and thermal comfort. However, traditional sensor techniques for building operation and fault detection and diagnostics (FDD) are not necessarily optimal in terms of energy efficiency and thermal comfort, and their global effects are not thoroughly investigated. In an effort to address and overcome this limitation, a multilaboratory and multiyear project, “Sensor Impact Evaluation and Verification,” was proposed. Its purpose is to develop a framework to investigate the impacts of sensor deployment and configuration on building energy optimization, FDD, occupant thermal comfort, and potentially grid efficiency. The first project task was a literature review to establish a solid knowledge of and a background related to sensor technologies and placement. To accomplish this task, an extensive review of previous research literature was performed. A series of expert interviews were conducted to augment the findings of the literature review. This report summarizes the interview design and interview results and findings. The interview was designed and performed to (1) investigate the current status and limitations of sensor configuration, (2) identify the research gaps and expectations for potential improvements in sensor configuration and deployment, and (3) integrate expert (e.g., researcher, building operation practitioner) knowledge and experience to develop use-case scenarios.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Advanced Fuel Cycle Cost Basis Report: Module D1-2 LWR Pelletized MOX Fuel Fabrication

Nature of this 2021 Module update from previous AFC-CBRs: Use of U,Pu MOX life cycle cost data from late 1970s Non-proliferation Assessment Systems Analysis Program (NASAP). This archived data has been updated in 2018-2019 to reflect today’s regulatory and economic conditions and is presented in 2017. For the lower unit cost MOX fabrication case the PuO 2 from the reprocessed LWR SNF is assumed to be fabricated immediately after aqueous PUREX reprocessing, thus minimizing the time for undesirable actinide radioisotopes, from the standpoint of radiation safety, to build in. Fabricated MOX utilizing separated and multi-year stored Pu from aqueously reprocessed SNF has also been added to this Module as a second LWR MOX fabrication variant, requiring additional and more costly glovebox design and operations to protect personnel. This new NASAP-informed data augments historical data and unit cost projections appearing in the 2009 (Shropshire et al 2009), 2012 (Dixon et al 2012), and 2017 Dixon et al 2017) AFC-CBRs. The “What-it-takes” 2017 unit fabrication cost values based on the updated NASAP studies are escalated to 2020$ for this 2021 Update Report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Engineering A Low-Cost Kelp Aquaculture System for Community-Scale Seaweed Farming at Nearshore Exposed Sites via User-Focused Design Process

For over 50 years, government fishery agencies have recognized the need to transition excess fishing capacity in coastal waters to aquaculture. For the most part, investment strategies to move wild capture and harvest efforts into aquaculture have failed since the technology and capital expense for entry, such as large fish pens, was not conducive for acceptance. In contrast, low trophic level aquaculture of shellfish and seaweeds is suitable as an addition to the livelihoods of seasonal fishing communities and to those displaced by fishery closures, especially if vessels and gear can be designed around existing fishing infrastructures, thus allowing fishers to maintain engagement with their primary fishery, while augmenting income via aquaculture. In this study, an inexpensive, lightweight, and highly mobile gear for kelp seaweed farming was developed and tested over a 3-year period in southern Maine, USA. The system was different from existing kelp farming operations used in nearshore waters that use low-scope mooring lines, and heavy, deadweight anchors. Instead, a highly mobile, easy to deploy system using lightweight gear was designed for exposed conditions. The entire system fit into fish tote boxes and was loadable onto a standard pickup truck. The seaweed system had small but efficient horizontal drag embedment anchors connected to a chain catenary and pretensioned with simple subsurface flotation. The system was able to be deployed and removed in less than 4 h by a crew of three using a 10 m vessel and produced a harvest of 12.7 kg/m over an 8-month fall-winter growth period. The target group for this seaweed research and development effort were coastal fishing communities who move seasonally into non-fishing occupations in service industries, such as construction, retail, etc. An economic assessment suggests farmers would realize an 8% return on investment after3 years and $13.50/h greater income as compared to a non-farming off season job at minimum wage. This low-cost seaweed farming system for fall-winter operations fits well into a “livelihood” strategy for fishing families who must work multiple jobs in the offseason when their main fishery is unavailable.

St-Gelais, Adam T.↗

Agentic traffic intelligence: Augmented human-in-the-loop scenario generation for microscopic traffic simulation

Traditional microscopic traffic simulation generation often relies on static datasets and manual design, limiting its ability to simulate complex conditions easily. This paper presents a novel framework, Agentic Traffic Intelligence, which combines human approval large language models (LLMs), the Real-Twin tool, and multi-agent systems to perform realistic microscopic traffic simulation scenario generation. The proposed framework incorporates human-in-the-loop (HIL) control, retrieval-augmented generation (RAG), and multi-agent control mechanisms. HIL mechanisms are used to guide multiple LLMs focused on attributes for microscopic simulation generation and to improve the interpretability and transparency of LLM execution for users. RAG enhances context extraction by dynamically integrating external knowledge sources for traffic scenario generation foundations. A multi-agent architecture with supervisory control coordinates the interaction of simulation components, including traffic simulators, control logic, and calibration tools. This enables the synthesis of simulation-ready scenarios that reflect dynamic demand profiles and behavior controls. Furthermore, the framework fuses multisource traffic data with unstructured context and supports iterative refinement through interactive user feedback. Validated through microscopic simulation using Simulation of Urban Mobility, the generated scenarios demonstrate high-fidelity network generation with inflow and turn movement and behavioral calibration, offering a robust and efficient tool for stress-testing and optimizing urban mobility systems.

Hierarchical multi-agent control↗