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At least 127 records · Page 7

Parallel Solver Framework for Mixed-Integer PDE-Constrained Optimization

ROL-PEBBL is a C++, MPI-based parallel code for mixed-integer PDE-constrained optimization (MIPDECO). In these problems we wish to optimize (control, design, etc.) physical systems, which must obey the laws of physics, when some of the decision variables must take integer values. ROL-PEBBL combines a code to efficiently search over integer choices (PEBBL = Parallel Enumeration Branch-and-Bound Library) and a code for efficient nonlinear optimization, including PDE-constrained optimization (ROL = Rapid Optimization Library). In this report, we summarize the design of ROL-PEBBL and initial applications/results. For an artificial source-inversion problem, finding sources of pollution on a grid from sparse samples, ROL-PEBBLs solution for the nest grid gave the best optimization guarantee for any general solver that gives both a solution and a quality guarantee.

97 MATHEMATICS AND COMPUTING↗

Fast Adaptive Neural Control of Resonant Extraction at Fermilab

We present the development of a machine learning (ML) based regulation system for third-order resonant beam extraction in the Mu2e experiment at Fermilab. Classical and ML-based controllers have been optimized using semi-analytic simulations and evaluated in terms of regulation performance and training efficiency. We compare several controller architectures and discuss the integration of neural control into an adaptive framework. We also present progress on surrogate models that predict the controller response given a spill intensity and controller action history. To enable real-time deployment, we report progress on implementing low-latency, edge-based inference suitable for hardware-constrained environments. Our results demonstrate the feasibility and advantages of ML-based control in managing complex, time-varying physical systems, with broader implications for accelerator operations and other domains requiring fast, adaptive regulation.

Berlioz, Jose Rene [Fermilab]↗

Developing VSC-HVDC Oscillation Damping Control Constraints in Unit Commitment

High-voltage direct current (HVDC) systems within the existing power grids will play a pivotal role in enabling high share of renewable power integration and transportation electrification. There is a need for transmission planning models to accurately capture the impact of VSC-HVDC oscillation damping control on the system planning and model the constraints in the security constrained unit commitment (SCUC) problem. In this paper, the SCUC problem in a hybrid DC-AC grid considering damping on electromechanical inter-area oscillation is studied. An electromechanical oscillation-driven transmission capability constraints are derived from system swing equation and incorporated into the SCUC. Multiple system damping control scenarios are set based on the extracted plausible bounds of damping coefficient and inertia constant to linearize the nonlinear expressions. The SCUC problem with proposed constraints is tested on the IEEE 73-bus reliability test system (RTS) case via PLEXOS. The impact of the proposed constraints on regional generation, inertia, power flow, annual system cost, and renewable energy curtailment are fully assessed.

damping control↗

Developing VSC-HVDC Oscillation Damping Control Constraints in Unit Commitment

High-voltage direct current (HVDC) systems within the existing power grids will play a pivotal role in enabling high share of renewable power integration and transportation electrification. There is a need for transmission planning models to accurately capture the impact of VSC-HVDC oscillation damping control on the system planning and model the constraints in the security constrained unit commitment (SCUC) problem. In this paper, the SCUC problem in a hybrid DC-AC grid considering damping on electromechanical inter-area oscillation is studied. An electromechanical oscillation-driven transmission capability constraints are derived from system swing equation and incorporated into the SCUC. Multiple system damping control scenarios are set based on the extracted plausible bounds of damping coefficient and inertia constant to linearize the nonlinear expressions. The SCUC problem with proposed constraints is tested on the Reliability Test System Grid Modernization Lab Consortium (RTS-GMLC) via PLEXOS. The impact of the proposed constraints on regional generation, inertia, power flow, annual system cost, and renewable energy curtailment are fully assessed.

damping control↗

Combining model-based and model-free methods for stochastic control of distributed energy resources

Modern distribution systems are experiencing a fast transformation with the growing penetration of distributed energy resources (DERs). Along with the economic and environmental benefits of DERs, challenges arise to address the uncertainties caused by their inherent volatility. If properly coordinated, however, DERs have the potential to provide the controllability that grid operators need. Here, we propose a hierarchical control framework that combines the model-based and model-free methods for stochastic DER control in distribution systems. The upper-level scheduler considers a chance-constrained optimal power flow problem (model-based) that schedules DER setpoints to minimize the operational cost and maintain the operating reserve. The lower-level distributed DER controllers absorb real-time disturbances and uncertainties using the extremum seeking control (model-free) to achieve grid objectives. The combination of model-based and model-free methods allows us to take the advantages of both methods to effectively manage the uncertainty in distribution systems. The proposed work is demonstrated on the IEEE 13-node feeder.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Multiscale Control of Generic Second Order Traffic Models by Driver-Assist Vehicles

We study the derivation of generic high order macroscopic traffic models from a follow-the-leader particle description via a kinetic approach. First, we recover a third order traffic model as the hydrodynamic limit of an Enskog-type kinetic equation. Next, we introduce in the vehicle interactions a binary control modeling the automatic feedback provided by driver-assist vehicles and we upscale such a new particle description by means of another Enskog-based hydrodynamic limit. The resulting macroscopic model is now a generic second order model (GSOM), which contains in turn a control term inherited from the microscopic interactions. We show that such a control may be chosen so as to optimize global traffic trends, such as the vehicle flux or the road congestion, constrained by the GSOM dynamics. By means of numerical simulations, we investigate the effect of this control hierarchy in some specific case studies, which exemplify the multiscale path from the vehiclewise implementation of a driver-assist control to its optimal hydrodynamic design.

GSOM↗

Spatiotemporal control of laser intensity through cross-phase modulation

Spatiotemporal pulse shaping provides control over the trajectory and range of an intensity peak. While this control can enhance laser-based applications, the optical configurations required for shaping the pulse can constrain the transverse or temporal profile, duration, or orbital angular momentum (OAM). Here we present a novel technique for spatiotemporal control that mitigates these constraints by using a "stencil" pulse to spatiotemporally structure a second, primary pulse through cross-phase modulation (XPM) in a Kerr lens. The temporally shaped stencil pulse induces a time-dependent focusing phase within the primary pulse. This technique, the "flying focus X," allows the primary pulse to have any profile or OAM, expanding the flexibility of spatiotemporal pulse shaping for laser-based applications. As an example, simulations show that the flying focus X can deliver an arbitrary-velocity, variable-duration intensity peak with OAM over distances much longer than a Rayleigh range.

47 OTHER INSTRUMENTATION↗

Randomized Sketching Algorithms for Low-Memory Dynamic Optimization

This paper develops a novel limited-memory method to solve dynamic optimization problems. The memory requirements for such problems often present a major obstacle, particularly for problems with PDE constraints such as optimal flow control, full waveform inversion, and optical tomography. In these problems, PDE constraints uniquely determine the state of a physical system for a given control; the goal is to find the value of the control that minimizes an objective. While the control is often low dimensional, the state is typically more expensive to store. This paper suggests using randomized matrix approximation to compress the state as it is generated and shows how to use the compressed state to reliably solve the original dynamic optimization problem. Concretely, the compressed state is used to compute approximate gradients and to apply the Hessian to vectors. The approximation error in these quantities is controlled by the target rank of the sketch. This approximate first- and second-order information can readily be used in any optimization algorithm. As an example, we develop a sketched trust-region method that adaptively chooses the target rank using a posteriori error information and provably converges to a stationary point of the original problem. Numerical experiments with the sketched trust-region method show promising performance on challenging problems such as the optimal control of an advection-reaction-diffusion equation and the optimal control of fluid flow past a cylinder.

97 MATHEMATICS AND COMPUTING↗

Planning green infrastructure placement based on projected precipitation data

Continued urbanization has led to tremendous changes on the landscape. These changes have exacerbated the effects of extreme climatic events such as flooding because of constrained water infiltration and increased surface flow. Typical runoff control measures involve sophisticated gray infrastructure that guide excess surface flow into storage and disposal sites. In a dynamic climate system, these measures are not sustainable since they cannot be easily modified to accommodate large volumes of runoff. Green Infrastructure (GI) is an adaptable technique that can be used to minimize runoff, in addition to offering an array of additional benefits (urban heat regulation, aesthetics, improved air quality etc.). Strategic placement of GI is key to achieving maximum utility. While physical site characteristics play a major role in determining suitable GI placement sites, knowledge of future precipitation patterns is crucial to ensure successful flood mitigation. Here, suitable GI sites within the city of Knoxville, Tennessee, were determined based on potential impact of an extreme flood event as indicated by site characteristics. Then, the relative potential likelihood of a flood event was determined based on projected precipitation data and knowledge of existing flood zones. By combining potential impact with likelihood information, low, medium, and high priority GI implementation sites were established. Results indicate that high priority sites are in the central parts of the city with priority decreasing outward. The GI prioritization scheme presented here, offers valuable guidance to city planners and policy makers who wish to exploit the GI approach for flood mitigation.

54 ENVIRONMENTAL SCIENCES↗

Quantifying airborne fraction trends and the destination of anthropogenic CO 2 by tracking carbon flows in a simple climate model

Abstract Atmospheric carbon dioxide (CO 2 ) concentrations have increased as a direct result of human activity and are at their highest level over the last 2 million years, with profound impacts on the Earth system. However, the magnitude and future dynamics of land and ocean carbon sinks are not well understood; therefore, the amount of anthropogenic fossil fuel emissions that remain in the atmosphere (the airborne fraction) is poorly constrained. This work aims to quantify the sources and controls of atmospheric CO 2 , the fate of anthropogenic CO 2 over time, and the likelihood of a trend in the airborne fraction. We use Hector v3.0, a coupled simple climate and carbon cycle model with the novel ability to explicitly track carbon as it flows through the Earth system. We use key model parameters in a Monte Carlo analysis of 15 000 model runs from 1750 to 2300. Results are filtered for physical realism against historical observations and CMIP6 projection data, and we calculate the relative importance of parameters controlling how much anthropogenic carbon ends up in the atmosphere. Modeled airborne fraction was roughly 52%, consistent with observational studies. The overwhelming majority of model runs exhibited a negative trend in the airborne fraction from 1960–2020, implying that current-day land and ocean sinks are proportionally taking up more carbon than the atmosphere. However, the percentage of atmospheric CO 2 derived from anthropogenic origins can be much higher because of Earth system feedbacks. We find it peaks at over 90% between 2010–2050. Moreover, when looking at the destination of anthropogenic fossil fuel emissions, only a quarter ends up in the atmosphere while more than half of emissions are taken up by the land sink on centennial timescales. This study evaluates the likelihood of airborne fraction trends and provides insights into the dynamics of anthropogenic CO 2 in the Earth system.

54 ENVIRONMENTAL SCIENCES↗

Eco-driving Profile Optimization by Dynamic Programming for Battery Electric Vehicles

Although full automation has not yet been achieved, automated vehicles are a valid research area. Not only would automated vehicles provide ultimate driver convenience, but they would maximize energy efficiency by eliminating undesired human driving behaviors and optimally controlling the powertrain. From the perspective of control related to energy saving, speed profile optimization is important for improving system efficiency and satisfying passenger demands. This study employs Dynamic Programming (DP) to solve the constrained optimal problem for travel time, distance, and speed limit by exploring all possible control options. The solutions obtained by DP demonstrate consistent control patterns combining four control modes-acceleration, cruising, coasting, and braking, with cruising or coasting being selective depending on the boundary conditions. Further, this study introduces DP-based simulation results and attempts to provide comprehensive interpretations of the optimal policy by analyzing the essential factors that affect the control problem, including boundary conditions, road load, and powertrain characteristics. Based on these interpretations, the control concepts can be explained as the optimal policy selecting the best control option based on system efficiency and boundary conditions. The results of DP are compared with a human-like driver model to show that the optimal speed profiles can effectively reduce energy consumption.

Autonomous vehicles↗

Local practically safe extremum seeking with assignable rate of attractivity to the safe set

We present Assignably Safe Extremum Seeking (ASfES), an algorithm designed to minimize a measured, static objective function while maintaining a measured, static metric of safety (a control barrier function or CBF) to be positive in a practical sense. We ensure that for trajectories with safe initial conditions, the violation of safety can be made arbitrarily small through appropriately chosen design constants. We also guarantee an assignable “attractivity” rate: from unsafe initial conditions, the trajectories approach the safe set, in the sense of the measured CBF, at a rate no slower than a user-assigned rate. Similarly, from safe initial conditions, the trajectories approach the unsafe set, in the sense of the CBF, no faster than the assigned attractivity rate. The feature of assignable attractivity is not present in the semiglobal version of safe extremum seeking, where the semiglobality of convergence is achieved by slowing the adaptation. We also demonstrate local convergence of the parameter to a neighborhood of the minimum of a quadratic objective function constrained to the safe set with a linear CBF. The ASfES algorithm and analysis are multivariable, but we also extend the algorithm to a Newton-Based ASfES scheme which we show is only useful in the scalar case. The proven properties of the designs are illustrated through simulation examples.

42 ENGINEERING↗

A solution framework for linear PDE-constrained mixed-integer problems

Abstract We present a general numerical solution method for control problems with state variables defined by a linear PDE over a finite set of binary or continuous control variables. We show empirically that a naive approach that applies a numerical discretization scheme to the PDEs to derive constraints for a mixed-integer linear program (MILP) leads to systems that are too large to be solved with state-of-the-art solvers for MILPs, especially if we desire an accurate approximation of the state variables. Our framework comprises two techniques to mitigate the rise of computation times with increasing discretization level: First, the linear system is solved for a basis of the control space in a preprocessing step. Second, certain constraints are just imposed on demand via the IBM ILOG CPLEX feature of a lazy constraint callback. These techniques are compared with an approach where the relations obtained by the discretization of the continuous constraints are directly included in the MILP. We demonstrate our approach on two examples: modeling of the spread of wildfire and the mitigation of water contamination. In both examples the computational results demonstrate that the solution time is significantly reduced by our methods. In particular, the dependence of the computation time on the size of the spatial discretization of the PDE is significantly reduced.

97 MATHEMATICS AND COMPUTING↗

Design Principles for Resonant Wave Energy Converters: Benchmarking Power Capture and Flow

Control co-design (CCD) in Wave Energy Converters (WECs) integrates the controller, power take-off (PTO), and buoy models during system design to optimize power output. Using the bi-conjugate impedance matching principle, this study models the PTO as a two-port network, revealing impedance matching conditions at the input and output ports as a function of the buoy, PTO, and controller. Here, this study examines the pairing of a flywheel-type pitch resonator PTO within a given buoy constrained by limited space and ballast capacity. The results show that physical constraints imposed by the buoy affect PTO performance. While controller tuning achieves optimal output impedance matching and flywheel inertia is maximized within the buoy's limitations, the PTO's input impedance remains smaller than the complex conjugate of the buoy's intrinsic impedance. This mismatch limits the PTO's ability to generate sufficient reaction torque, particularly outside the resonance frequency, resulting in narrow-band power transfer. The findings emphasize the need for PTO design modifications to improve input power transfer. Pendulum-based PTO mechanisms are proposed as alternatives to couple with multiple buoy motion modes and improve wave-to-wire efficiency while respecting system constraints.

Control Co-Design↗

Explicit model predictive control through robust optimization

A strategy that calculates an explicit state feedback policy to regulate constrained uncertain discrete‐time uncertain linear systems is presented. We consider uncertain processes, affected by box‐bounded multiplicative uncertainty as well as bounded additive uncertainty with linear state and inputs constraints. The proposed method includes (i) the calculation of a terminal set constraint and (ii) the robust reformulation of state constraints in the prediction horizon. These features allow the derivation of the desired policy by solving a single multiparametric quadratic programming problem that guarantees feasible operation in the presence of uncertainty. Additionally, we employ variable and constraint elimination approaches to enhance the computational performance of the strategy. We demonstrate the steps and benefits of these developments with a numerical example and a chemical engineering case study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct Experimental Observations of Ion Distributions during Overcharging at the Muscovite–Water Interface by Adsorption of Rb + and Halides (Cl – , Br – , I – ) at High Salinity

Classical electric double layer (EDL) models have been widely used to describe ion distributions at charged solid-water interfaces in dilute electrolytes. However, the chemistry of EDLs remains poorly constrained at high ionic strength where ion-ion correlations control non-classical behavior such as overcharging, i. e., the accumulation of counter-ions in amounts exceeding the substrate's surface charge. Here, we provide direct experimental observations of correlated cation and anion distributions adsorbed at the muscovite (001)-aqueous electrolyte interface as a function of dissolved RbBr concentration ([RbBr]=0.01–5.8 M) using resonant anomalous X-ray reflectivity. Our results show alternating cation-anion layers in the EDL when [RbBr]≳100 mM, whose spatial extension (i. e., ~20 Å from the surface) far exceeds the dimension of the classical Stern layer. Comparison to RbCl and RbI electrolytes indicates that these behaviors are sensitive to the choice of co-ion. This new in-depth molecular-scale understanding of the EDL structure during transition from classical to non-classical regimes supports the development of realistic EDL models for technologies operating at high salinity such as water purification applications or modern electrochemical storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Metalloborophenes: Structural Diversity and Emerging Properties of Metal–Boron Two‐Dimensional Frameworks

Metalloborophenes, an emerging subclass of 2D materials, have attracted growing attention owing to their exceptional structural diversity and highly tunable electronic and magnetic properties. Constructed from vacancy‐rich borophene frameworks stabilized by electron donation from incorporated metal atoms, metalloborophenes merge the chemical versatility of boron with the functional richness of metal dopants. The first experimental realization of Cu–borophene nanoribbons in 2024 marked a pivotal advance, confirming long‐standing theoretical predictions and revitalizing interest in this new frontier of boron‐based 2D chemistry. Despite this progress, most studies to date remain conceptual and theoretical, constrained by challenges in scalable synthesis, dopant precision, and substrate control. Computational investigations have revealed a broad landscape of stable metalloborophene structures, exhibiting metallic, semiconducting, and magnetic behavior across diverse dopant families, including alkali, alkaline‐earth, transition, and lanthanide elements. These tunable characteristics open promising avenues for applications in spintronics, catalysis, and hydrogen storage. This review provides a comprehensive overview of metalloborophenes, emphasizing the interplay between structure, stability, and functionality, and outlining future directions toward bridging predictive modeling with experimental realization of this rapidly evolving class of 2D materials.

2D materials↗

Dendritic cells focus CTL responses toward highly conserved and topologically important HIV-1 epitopes

During early HIV-1 infection, immunodominant T cell responses to highly variable epitopes lead to the establishment of immune escape virus variants. Here we assessed a type 1-polarized monocyte-derived dendritic cell (MDC1)-based approach to selectively elicit cytotoxic T lymphocyte (CTL) responses against highly conserved and topologically important HIV-1 epitopes in HIV-1-infected individuals from the Thailand RV254/SEARCH 010 cohort who initiated antiretroviral therapy (ART) during early infection (Fiebig stages I-IV). Autologous MDC1 were used as antigen presenting cells to induce in vitro CTL responses against HIV-1 Gag, Pol, Env, and Nef as determined by flow cytometry and ELISpot assay. Ultra-conserved or topologically important antigens were respectively identified using the Epigraph tool and a structure-based network analysis approach and compared to overlapping peptides spanning the Gag proteome. MDC1 presenting either the overlapping Gag, Epigraph, or Network 14-21mer peptide pools consistently activated and expanded HIV-1-specific T cells to epitopes identified at the 9-13mer peptide level. Interestingly, some CTL responses occurred outside known or expected HLA associations, providing evidence of new HLA-associated CTL epitopes. Comparative analyses demonstrated more sequence conservation among Epigraph antigens but a higher magnitude of CTL responses to Network and Gag peptide groups. Importantly, CTL responses against topologically constrained Gag epitopes contained in both the Network and Gag peptide pools were selectively enhanced in the Network pool-initiated cultures. Our study supports the use of MDC1 as a therapeutic strategy to induce and focus CTL responses toward putative fitness-constrained regions of HIV-1 to prevent immune escape and control HIV-1 infection.

60 APPLIED LIFE SCIENCES↗