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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

LENS: Learning Enabled Network Synthesis

RTRC and UMD have developed novel machine learning based methods under the ARPA-E DIFFERENTIATE program for rapid acceleration of hypothesis generation in complex architecture design spaces involving both discrete choices of component inclusion and interconnection and continuous parametric decisions. The project named Learning Enabled Network Synthesis (LENS) further demonstrated the developed methods on challenging electrical power converter design problems by identifying the most suitable circuit topologies and simultaneously selecting the most appropriate components to achieve optimized design of power converter with improved performances. We demonstrated that LENS could enable exploration of very large design space of circuit topologies and components by addressing the limitations of conventional design process in non-linear, high switching speed, multi-dimensional power converter design and optimization. The key innovation developed in LENS is the seamless integration of statistical learning and logical reasoning techniques and building on the individual strengths of these techniques for rapid hypothesis discovery. The main component of LENS comprises of: 1) Graph Reasoning Engine (GRE) to enforce composition rules that rapidly reject all discrete architectures that are composed incorrectly and generates an adaptive database of feasible designs which can be used by ML modules, 2) Graph Generative Learning module which is a deep neural network based generative model for graph architectures which can enable design space exploration beyond the dataset generated by the GRE, 3) Graph Reduced Order Model (ROM) for graph domains for accelerating computation of output metrics, and 4) Active learning and Rule Discovery module for sample efficient learning and extracting logical rules from the learned ML models which will be integrated in the GRE to enhance the filtering effectiveness. LENS approach can be applied to any design domains where designs can be represented as multi-attribute graphs. The LENS team integrated the various technical innovations listed above into an optimization pipeline and exercised the optimization pipeline on the converter design problem. The LENS project demonstrated that the developed AI/ML technologies can be used to generate novel converter circuits >45x faster than experts on chosen use-cases. This can enable faster design space exploration and identification of new designs which are not considered by experts due to the increasing design space complexity. This has significant potential impact on the public and energy needs of the country. It is currently estimated that 30% of all electrical powers generated passes through power converters. The future estimate is that 80% of all power generated would be passing through converters. LENS fills a critical gap in this space since by accelerating the design process the designers would be able to generate more efficient converters which can lead to significant energy savings for the country.

42 ENGINEERING↗
DOE OSTI2023

Power System Recovery Coordinated with (Non-)Black-Start Generators

Power restoration is an urgent task after a black-out, and recovery efficiency is critical when quantifying system resilience. Multiple elements should be considered to restore the power system quickly and safely. This paper proposes a recovery model to solve a direct-current optimal power flow (DCOPF) based on mixed-integer linear programming (MILP). Since most of the generators cannot start independently, the interaction between black-start (BS) and non-black-start (NBS) generators must be modeled appropriately. The energization status of the NBS is coordinated with the recovery status of transmission lines, and both of them are modeled as binary variables. Also, only after an NBS unit receives the cranking power through connected transmission lines, will it be allowed to participate in the following system dispatch. The amount of cranking power is estimated as a fixed proportion to the maximum generation capacity. The proposed model is validated on several test systems, as well as a 1393-bus representation system of the Puerto Rican electric power grid. Test results demonstrate how the recovery of NBS units and damaged transmission lines can be optimized, resulting in an efficient and well-coordinated recovery procedure.

Zhao, Meng↗
DOE OSTI2024

Multi-amplifier Sensing Charge-coupled Devices for Next Generation Spectroscopy

We present characterization results and performance of a prototype Multiple-Amplifier Sensing (MAS) silicon charge-coupled device (CCD) sensor with 16 channels potentially suitable for faint object astronomical spectroscopy and low-signal, photon-limited imaging. The MAS CCD is designed to reach sub-electron readout noise by repeatedly measuring charge through a line of amplifiers during the serial transfer shifts. Using synchronized readout electronics based on the Dark Energy Spectroscopic Instrument CCD controller, we report a read noise of 1.03 e$^{−}$ rms pix$^{−1}$ at a speed of 26 μs pix$^{−1}$ with a single-sample readout scheme where charge in a pixel is measured only once for each output stage. At these operating parameters, we find the amplifier-to-amplifier charge transfer efficiency (ACTE) to be >0.9995 at low counts for all amplifiers but one for which the ACTE is 0.997. This charge transfer efficiency falls above 50,000 electrons for the read-noise optimized voltage configuration we chose for the serial clocks and gates. The amplifier linearity across a broad dynamic range from ∼300 to 35,000 e$^{−}$ was also measured to be ±2.5%. We describe key operating parameters to optimize on these characteristics and describe the specific applications for which the MAS CCD may be a suitable detector candidate.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Linear Approximation Line Pack Model for Integrated Electricity and Natural Gas Systems OPF

With the increasing installation of renewable energy electricity generation capacity, the penetration of natural gas fired generation is also substantailly increasing in power systems due to their fast response capability to mitigate system variability and uncertainty. The dependencies between the electricity system and the natural gas system are becoming more important to maintain the reliability of both systems. In integrated electricity and natural gas systems (IEGSs) operations, the nonlinearity of the natural gas system brings challenges to the system operators. In this paper, the IEGSs optimal power flow (OPF) model is proposed that includes the line pack of the gas system via linear approximation. The simulation results demonstrate that the proposed model can obtain optimal solutions efficiently that are comparable in accuracy as the nonlinear line pack model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Exploiting Identical Generators in Unit Commitment

Here, we present sufficient conditions under which thermal generators can be aggregated in mixed-integer linear programming (MILP) formulations of the unit commitment (UC) problem, while maintaining feasibility and optimality for the original disaggregated problem. Aggregating thermal generators with identical characteristics (e.g., minimum/maximum power output, minimum up/down-time, and cost curves) into a single unit reduces redundancy in the search space induced by both exact symmetry (permutations of generator schedules) and certain classes of mutually non-dominated solutions. We study the impact of aggregation on two large-scale UC instances, one from the academic literature and another based on real-world operator data. Our computational tests demonstrate that when present, identical generators can negatively affect the performance of modern MILP solvers on UC formulations. Further, we show that our reformation of the UC MILP through aggregation is an effective method for mitigating this source of computational difficulty.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Potential Economic Values of Low-Vapor-Pressure Gasoline-Range Bio-Blendstocks: Property Estimation, and Blending Optimization

Adding non-traditional blendstocks derived from biomass into gasoline has gained renewed interest since it will reduce greenhouse gas emissions and potentially enhance fuel properties and boost engine efficiencies. A competitive bio-blendstock candidate should have either lower prices or superior properties or both relative to conventional gasoline blending components. Gasoline is a mixture of hundreds compounds specified by properties rather than compositions. The addition of bio-blendstocks, most likely oxygenates, will modify the property mixing rules due to the non-ideal interactions between polar and nonpolar components. This paper presents an equation-of-state-based model for predicting Reid vapor pressure, reduced order non-linear property blending models for computing key properties of final gasoline products, and a blending optimization approach to identify key economic drivers. This paper also evaluates the economic values of bio-blendstocks to petroleum refiners using those models. In additional to ethanol, six low-vapor-pressure bio-blendstock candidates were evaluated: i-propanol, n-propanol, i-butanol, diisobutylene, cyclopentanone, and a mixture of furans. Reid vapor pressure, distillation temperatures, and octane numbers were identified as the key economic drivers of adding bio-blendstock. The economic values of those bio-blendstocks range from 2.22 to 4.00 US dollar per gasoline gallon equivalent in 2013 to 2017 5-year averaged price basis. The bio-blendstocks with higher octane numbers may have higher economic values. The uncertainties in property predictions may lead to roughly 15% deviation in the economic value evaluation.

Jiang, Yuan↗
DOE OSTI2022

Multimodal parameter spaces of a complex multi-channel neuron model

One of the most common types of models that helps us to understand neuron behavior is based on the Hodgkin–Huxley ion channel formulation (HH model). A major challenge with inferring parameters in HH models is non-uniqueness: many different sets of ion channel parameter values produce similar outputs for the same input stimulus. Such phenomena result in an objective function that exhibits multiple modes (i.e., multiple local minima). This non-uniqueness of local optimality poses challenges for parameter estimation with many algorithmic optimization techniques. HH models additionally have severe non-linearities resulting in further challenges for inferring parameters in an algorithmic fashion. To address these challenges with a tractable method in high-dimensional parameter spaces, we propose using a particular Markov chain Monte Carlo (MCMC) algorithm, which has the advantage of inferring parameters in a Bayesian framework. The Bayesian approach is designed to be suitable for multimodal solutions to inverse problems. We introduce and demonstrate the method using a three-channel HH model. We then focus on the inference of nine parameters in an eight-channel HH model, which we analyze in detail. We explore how the MCMC algorithm can uncover complex relationships between inferred parameters using five injected current levels. The MCMC method provides as a result a nine-dimensional posterior distribution, which we analyze visually with solution maps or landscapes of the possible parameter sets. The visualized solution maps show new complex structures of the multimodal posteriors, and they allow for selection of locally and globally optimal value sets, and they visually expose parameter sensitivities and regions of higher model robustness. We envision these solution maps as enabling experimentalists to improve the design of future experiments, increase scientific productivity and improve on model structure and ideation when the MCMC algorithm is applied to experimental data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

SU-E-T-100: An Approach to Improving the Dynamic Delivery Accuracy for Breast IMRT

Purpose: A method is established to improve the accuracy of the IMRT dose delivery for the treatment of breast and chest wall tumors when the higher dose gradient is delivered at the end of the leaf sequence. Methods: Dynamic MLC deliveries on Varian Linacs are achieved through the motion of the leaves from X1 to X2 direction. If the higher dose gradient is at the end of the leaf motion sequence, this can Result in an increased error in the overall dose delivery. Such errors have been observed in Lateral beams for Left-sided and Medial beams for Right-sided treatments. To evaluate and resolve this issue we adopted an approach where the fluence for such beams was geometrically flipped (mirrored) to treat the higher end of the dose gradient first. Results: Using this method, it was possible to deliver the optimized dose map to the area of interest still using only the X1–X2 direction of the leaf motion. The accuracy of this method was tested on different beam as part of our pre-treatment QA program on both Varian delivery systems. With this approach we found that there was significant improvement in delivery accuracy on both 21EX and TrueBeam systems. Beams of initial Gamma index (3% and 3mm) 89–93% were increased to 98–99%. We also observed superior delivery accuracy with TB compared to the 21EX Conclusion: This work demonstrate the need for a delivery sequence option from X2–X1 in situations where the MLC sequence indicates higher dose gradient component is being delivered at the end of the sequence. Results from this work can be considered in the IMRT beam optimization in the treatment planning systems. Further work will be required to establish the application of this approach in clinical setting.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Optimal control of wave energy converters

Optimal control theory is applied to compute control for a single-degree-of-freedom heave wave energy converter. The goal is to maximize the energy extraction per cycle. Both constrained and unconstrained optimal control problems are presented. Both periodic and non-periodic excitation forces are considered. In contrast to prior work, it is shown that for this non-autonomous system, the optimal control, in general, includes both singular arc and bang-bang modes. Conditions that determine the switching times to/from the singular arc are derived. Simulation results show that the proposed optimal control solution matches the solution obtained using the complex conjugate control. A generic linear dynamic model is used in the simulations. In conclusion, the main advantage of the proposed control is that it finds the optimal control without the need for wave prediction; it only requires the knowledge of the excitation force and its derivatives at the current time.

16 TIDAL AND WAVE POWER↗
DOE OSTI2014

Daubechies wavelets for linear scaling density functional theory

We demonstrate that Daubechies wavelets can be used to construct a minimal set of optimized localized adaptively contracted basis functions in which the Kohn-Sham orbitals can be represented with an arbitrarily high, controllable precision. Ground state energies and the forces acting on the ions can be calculated in this basis with the same accuracy as if they were calculated directly in a Daubechies wavelets basis, provided that the amplitude of these adaptively contracted basis functions is sufficiently small on the surface of the localization region, which is guaranteed by the optimization procedure described in this work. This approach reduces the computational costs of density functional theory calculations, and can be combined with sparse matrix algebra to obtain linear scaling with respect to the number of electrons in the system. Calculations on systems of 10 000 atoms or more thus become feasible in a systematic basis set with moderate computational resources. Further computational savings can be achieved by exploiting the similarity of the adaptively contracted basis functions for closely related environments, e.g., in geometry optimizations or combined calculations of neutral and charged systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

An Optimized Input/Output-Constrained Control Design With Application to Microgrid Operation

In this paper, a nonlinear control design is presented for systems whose input and output vectors are saturated. The proposed synthesis includes an optimal tracker as the seed controller and explicitly imposes all the relevant constraints on system input, on the rate of change in the input, and on system output by using the tools of barrier functions, input-output feedback linearization, comparison argument, Lyapunov argument, and a real-time constrained optimization. The proposed design is applied to microgrid operation with high penetration of renewable generation, where net load and variable generation must be balanced and the microgrid should be operated at an optimal or near-optimal performance level. Since traditional generation has a limited ramping rate, battery storage devices and demand responses become necessary to effectively deal with variability of renewable generation and to maintain frequency stability, but their capacities are also limited. Finally,it is shown that the proposed design is effective for coordinated control of traditional generation, storage and demand response so that the power system frequency is guaranteed to be within the required operational limits and that renewable curtailment is eliminated or minimized.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Simultaneous Process and Heat Exchanger Network Synthesis Using a Discrete Temperature Grid

We present mixed-integer linear programming models for utility targeting and heat exchanger network synthesis that account for variable stream temperatures and flow rates as well as unclassified streams and thus can be combined with process synthesis optimization models. By projecting temperature information onto a fixed discrete temperature grid, the model remains linear even under variable temperatures and flow rates, leading to a more tractable optimization model. The proposed model is well suited to address problems in the area of process intensification where the close interaction between different phenomena naturally leads to process synthesis problems with unclassified process streams. Several extensions are presented, including nonisothermal mixing as well as phase changes. Moreover, we show how a nonuniform grid can be adopted to reduce the complexity of the model for medium and large-size problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Reconstruction of jointly sparse vectors via manifold optimization

In this paper, we consider the challenge of reconstructing jointly sparse vectors from linear measurements. Firstly, we show that by utilizing the rank of the output data matrix we can reduce the problem to a full column rank case. This result reveals a reduction in the computational complexity of the original problem and enables a simple implementation of joint sparse recovery algorithms for full-rank setting. Secondly, we propose a new method for joint sparse recovery in the form of a non-convex optimization problem on a non-compact Stiefel manifold. In our numerical experiments our method outperforms the commonly used l 2,1 minimization in the sense that much fewer measurements are required for accurate sparse reconstructions. Here, we postulate this approach possesses the desirable rank aware property, that is, being able to take advantage of the rank of the unknown matrix to improve the recovery.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

SU-F-T-428: An Optimization-Based Commissioning Tool for Finite Size Pencil Beam Dose Calculations

Purpose: Finite size pencil beam (FSPB) algorithms are commonly used to pre-calculate the beamlet dose distribution for IMRT treatment planning. FSPB commissioning, which usually requires fine tuning of the FSPB kernel parameters, is crucial to the dose calculation accuracy and hence the plan quality. Yet due to the large number of beamlets, FSPB commissioning could be very tedious. This abstract reports an optimization-based FSPB commissioning tool we have developed in MatLab to facilitate the commissioning. Methods: A FSPB dose kernel generally contains two types of parameters: the profile parameters determining the dose kernel shape, and a 2D scaling factors accounting for the longitudinal and off-axis corrections. The former were fitted using the penumbra of a reference broad beam’s dose profile with Levenberg-Marquardt algorithm. Since the dose distribution of a broad beam is simply a linear superposition of the dose kernel of each beamlet calculated with the fitted profile parameters and scaled using the scaling factors, these factors could be determined by solving an optimization problem which minimizes the discrepancies between the calculated dose of broad beams and the reference dose. Results: We have commissioned a FSPB algorithm for three linac photon beams (6MV, 15MV and 6MVFFF). Dose of four field sizes (6*6cm2, 10*10cm2, 15*15cm2 and 20*20cm2) were calculated and compared with the reference dose exported from Eclipse TPS system. For depth dose curves, the differences are less than 1% of maximum dose after maximum dose depth for most cases. For lateral dose profiles, the differences are less than 2% of central dose at inner-beam regions. The differences of the output factors are within 1% for all the three beams. Conclusion: We have developed an optimization-based commissioning tool for FSPB algorithms to facilitate the commissioning, providing sufficient accuracy of beamlet dose calculation for IMRT optimization.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Incorporation of market signals for the optimal design of post combustion carbon capture systems

Recent studies have shown that fossil generators equipped with post-combustion carbon capture (PCC) systems are needed to reduce the cost of deep decarbonization. Such generators need to be flexible and responsive to grid conditions, particularly in a high variable renewable energy (VRE) environment. In this work, we evaluate the net present value (NPV) of retrofitting an existing natural gas combined cycle (NGCC) unit with a flexible PCC system while incorporating market signals from a high VRE grid. We use our industrial partner’s NGCC configuration as representative of existing NGCC units and Svante’s rapid-temperature swing adsorption (TSA) for PCC. Because of its ability to rapidly startup/shutdown and ramp-up/ramp-down, the chosen capture technology is very attractive for load-following operations. For a given set of market signals, we formulate a two-stage stochastic multi-period optimization problem, under the price-taker assumption, to simultaneously optimize the design of the capture system and operation of the entire plant. Rigorous models for the NGCC unit, PCC system, and compression system are developed using commercial process simulators and validated with either plant or vendor data. For computational tractability, we develop surrogate/reduced-order models for use in the optimization problem. The surrogate model for the NGCC plant is constructed by linearizing the rigorous dynamic model at 75% load, while data-driven nonlinear surrogate models for the capture and compression systems are constructed using simulation data from the rigorous models. The optimization problem, formulated as a mixed integer bilinear program, is implemented in the IDAES® integrated platform and solved to global optimality using Gurobi 9.5. Using this formulation, we determine the profitability of retrofitting an existing NGCC unit with the chosen capture system for multiple regions in the U.S. under two scenarios with different carbon prices. Importantly, the results show that the optimal decision strongly depends on the region and on the carbon price, thereby demonstrating the importance of the inclusion of market signals in the design process.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2019

An accurate bilinear cavern model for compressed air energy storage

Compressed air energy storage is suitable for large-scale electrical energy storage, which is important for integrating renewable energy sources into electric power systems. A typical compressed air energy storage plant consists of compressors, expanders, caverns, and a motor/generator set. Current cavern models used for compressed air energy storage are either accurate but highly nonlinear or linear but inaccurate. The application of highly nonlinear cavern models in power system optimization problems renders them computationally challenging to solve. In this regard, an accurate bilinear cavern model for compressed air energy storage is proposed. The charging and discharging processes in a cavern are divided into several real/virtual states. The first law of thermodynamics and ideal gas law are then utilized to derive a cavern model, i.e., a model for the variation of temperature and pressure in these processes. Thereafter, the heat transfer between the air in the cavern and the cavern wall is considered and integrated into the cavern model. By subsequently eliminating several negligible terms, the cavern model reduces to a bilinear model. The accuracy of the bilinear cavern model is verified via comparison with both an accurate nonlinear model and two sets of field-measured data. The bilinear cavern model can be easily linearized and is then suitable for integration into optimization problems considering compressed air energy storage. This is verified via comparatively solving a self-scheduling problem of compressed air energy storage using different cavern models.

25 ENERGY STORAGE↗
DOE OSTI2014

A New Linearization Method of Unbalanced Electrical Distribution Networks

Abstract--- With increasing penetration of distributed generation in the distribution networks (DN), the secure and optimal operation of DN has become an important concern. As DN control and operation strategies are mostly based on the linearized sensitivity coefficients between controlled variables (e.g., node voltages, line currents, power loss) and control variables (e.g., power injections, transformer tap positions), efficient and precise calculation of these sensitivity coefficients, i.e. linearization of DN, is of fundamental importance. In this paper, the derivation of the node voltages and power loss as functions of the nodal power injections and transformers' tap-changers positions is presented, and then solved by a Gauss-Seidel method. Compared to other approaches presented in the literature, the proposed method takes into account different load characteristics (e.g., constant PQ, constant impedance, constant current and any combination of above) of a generic multi-phase unbalanced DN and improves the accuracy of linearization. Numerical simulations on both IEEE 13 and 34 nodes test feeders show the efficiency and accuracy of the proposed method.

linearization↗