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DOE OSTI2021

Multiobjective Dynamic Optimization for Optimal Load-Following of Natural Gas Combined Cycle Power Plants under Stress Constraints

With the increasing penetration of intermittent renewable energy sources into the electric grid, there is an associated need for conventional thermal power plants that are designed to operate at base-load conditions to cycle their load rapidly and frequently and operate under low-load conditions. Fast load-following operations lead to plant efficiency loss and the reduction of equipment life. A high-fidelity dynamic model of a natural gas combined cycle power plant, with rigorous equipment level submodels, is developed to capture the plant transient performance and the thermomechanical stress evolution at the high-pressure drum is computed to assess the drum life consumption. Stress evolution is modeled for the location of the edge at the drum/downcomer junction that experiences high circumferential stress amplitude during the fast load-following operation, leading to higher fatigue damage than locations considered under existing design standards. A dynamic optimization problem is solved for optimal load-following operation. Depending on the value of the stress constraint and the desired ramp rate, satisfying the desired stress constraint may be infeasible without relaxing the ramp rate. A multiobjective dynamic optimization problem is solved using a lexicographic approach that minimizes ramp rate relaxation and maximizes efficiency while satisfying stress constraints, avoiding spraying to saturation, and maintaining main steam and reheat steam temperature within bounds. It was observed that the optimal ramp rate can be highly nonlinear as opposed to the industry-standard linear ramp rate. Nonlinear optimal ramp-rate profiles not only help to avoid stress constraints that may be unavoidable by using the linear profile but also result in higher efficiency than the linear profile. Furthermore, the study shows that there is a strong tradeoff between the relaxation in the plant ramp rate and the time-average thermal efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Learning Optimal Power Flow Solutions using Linearized Models in Power Distribution Systems

Solving nonlinear optimal power flow (OPF) problem is computationally expensive, and poses scalability challenges for power distribution networks. An alternative to solving the original nonlinear OPF is the linear approximated OPF models. Although, these linear approximated OPF models are fast, the resulting solutions may result in significant optimality gap. Lately, the application of machine learning (ML) methods in successfully solving the nonlinear OPF has been reported. These methods learn and estimate the nonlinear control policies using a purely data-driven approach. In this paper, we propose an approach to complements the ML based approach to solving OPF using solutions from known linearized OPF model. Specifically, we use supervised learning to map the solutions of linear OPF to nonlinear control variables. Unlike, the traditional ML based methods for OPF that approximate the full distribution feeder model using function approximation, our approach uses a two-node approximation of radial networks. The proposed approach is validated using IEEE 123 bus test system for OPF solutions obtained using the nonlinear OPF models.

optimal power flow, power distribution systems, su↗

DOE OSTI2015

The ANACONDA algorithm for deformable image registration in radiotherapy

Purpose: The purpose of this work was to describe a versatile algorithm for deformable image registration with applications in radiotherapy and to validate it on thoracic 4DCT data as well as CT/cone beam CT (CBCT) data. Methods: ANAtomically CONstrained Deformation Algorithm (ANACONDA) combines image information (i.e., intensities) with anatomical information as provided by contoured image sets. The registration problem is formulated as a nonlinear optimization problem and solved with an in-house developed solver, tailored to this problem. The objective function, which is minimized during optimization, is a linear combination of four nonlinear terms: 1. image similarity term; 2. grid regularization term, which aims at keeping the deformed image grid smooth and invertible; 3. a shape based regularization term which works to keep the deformation anatomically reasonable when regions of interest are present in the reference image; and 4. a penalty term which is added to the optimization problem when controlling structures are used, aimed at deforming the selected structure in the reference image to the corresponding structure in the target image. Results: To validate ANACONDA, the authors have used 16 publically available thoracic 4DCT data sets for which target registration errors from several algorithms have been reported in the literature. On average for the 16 data sets, the target registration error is 1.17 ± 0.87 mm, Dice similarity coefficient is 0.98 for the two lungs, and image similarity, measured by the correlation coefficient, is 0.95. The authors have also validated ANACONDA using two pelvic cases and one head and neck case with planning CT and daily acquired CBCT. Each image has been contoured by a physician (radiation oncologist) or experienced radiation therapist. The results are an improvement with respect to rigid registration. However, for the head and neck case, the sample set is too small to show statistical significance. Conclusions: ANACONDA performs well in comparison with other algorithms. By including CT/CBCT data in the validation, the various aspects of the algorithm such as its ability to handle different modalities, large deformations, and air pockets are shown.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

On relaxations of the max k -cut problem formulations

Here, a tight continuous relaxation is a crucial factor in solving mixed integer formulations of many NP-hard combinatorial optimization problems. The (weighted) max k-cut problem is a fundamental combinatorial optimization problem with multiple notorious mixed integer optimization formulations. In this paper, we explore four existing mixed integer optimization formulations of the max k-cut problem. Specifically, we show that the continuous relaxation of a binary quadratic optimization formulation of the problem is: (i) stronger than the continuous relaxation of two mixed integer linear optimization formulations and (ii) at least as strong as the continuous relaxation of a mixed integer semidefinite optimization formulation. We also conduct a set of experiments on multiple sets of instances of the max k-cut problem using state-of-the-art solvers that empirically confirm the theoretical results in item (i). Furthermore, these numerical results illustrate the advances in the efficiency of global non-convex quadratic optimization solvers and more general mixed integer nonlinear optimization solvers. As a result, these solvers provide a promising option to solve combinatorial optimization problems. Our codes and data are available on GitHub.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Improvement of machine learning enhanced genetic algorithm for nonlinear beam dynamics optimization

On top of the genetic algorithm enhanced by machine learning for nonlinear lattice optimization, as proposed in Li et al. (2018), an improved repopulation technique has been developed. Different weight coefficients for defining the “elite cluster” were compared to discern the fastest convergence in two classic optimization test problems. Additonally, the volume of the parameter space for generating potentially competitive candidates was further confined by repopulation in the vicinity of randomly selected “elite seeds”. The new repopulation technique significantly improves the quality of newly populated candidates by excluding the less competitive seeds introduced by the old repopulation algorithm. Finally, this technique has been validated, having a faster convergence for test problems first, and then applied to the nonlinear lattice optimization for the High Energy Photon Source storage ring.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Tuning successive linear programming to solve AC optimal power flow problem for large networks

Successive linear programming (SLP) is a practical approach for solving large-scale nonlinear optimization problems. Alternating current optimal power flow (ACOPF) is no exception, particularly the large size of real-world networks. However, in order to achieve tractability, it is essential to tune the SLP algorithm presented in the literature. This paper presents a modified SLP algorithm to solve the ACOPF problem, specified by the U.S. Department of Energy’s (DOE) Grid Optimization (GO) Competition Challenge 1, within strict time limits. The algorithm first finds a near-optimal solution for the relaxed problem (i.e., Stage 1). Then, it finds a feasible solution in the proximity of the near-optimal solution (i.e., Stage 2 and Stage 3). The numerical experiments on test cases ranging from 500-bus to 30,000-bus systems show that the algorithm is tractable. Here the results show that our proposed algorithm is tractable and can solve more than 80% of test cases faster than the well-known Interior Point Method while significantly reduce the number of iterations required to solve ACOPF. The number of iterations is considered an important factor in the examination of tractability which can drastically reduce the computational time required within each iteration.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Operation of Natural Gas Pipeline Networks With Storage Under Transient Flow Conditions

Here, we formulate a nonlinear optimal control problem for intraday operation of a natural gas pipeline network that includes storage reservoirs. The dynamics of compressible gas flow through pipes, compressors, reservoirs, and wells are considered. In particular, a reservoir is modeled as a rigid, hollow container that stores gas under isothermal conditions and uniform density, and a well is modeled as a vertical pipe. For each pipe, flow dynamics are described by a coupled partial differential equation (PDE) system in density and mass flux variables, with momentum dissipation modeled using the Darcy–Wiesbach friction approximation. Compressors are modeled as scaling up the pressure of gas between the inlet and outlet. The governing equations for all network components are spatially discretized and assembled into a nonlinear differential-algebraic equation (DAE) system, which synthesizes above-ground pipeline and subsurface reservoir dynamics into a single reduced-order model. We seek to maximize an objective function that quantifies economic profit and network efficiency subject to the flow equations and inequalities that represent operating limitations. The problem is solved using a primal–dual interior point solver, and the solutions are validated in computational experiments and simulations on several pipeline test networks to demonstrate the effectiveness of the proposed methodology.

03 NATURAL GAS↗

DOE OSTI2019

SUSPECT: MINLP special structure detector for Pyomo

We present SUSPECT, an open source toolkit that symbolically analyzes mixed-integer nonlinear optimization problems formulated using the Python algebraic modeling library Pyomo. We present the data structures and algorithms used to implement SUSPECT. SUSPECT works on a directed acyclic graph representation of the optimization problem to perform: bounds tightening, bound propagation, monotonicity detection, and convexity detection. We show how the tree-walking rules in SUSPECT balance the need for lightweight computation with effective special structure detection. SUSPECT can be used as a standalone tool or as a Python library to be integrated in other tools or solvers. Here, we highlight the easy extensibility of SUSPECT with several recent convexity detection tricks from the literature. We also report experimental results on the MINLPLib 2 dataset.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

How Does Escherichia coli Allocate Proteome?

Microorganisms are shown to actively partition their intracellular resources, such as pro- teins, for growth optimization. Recent experiments have begun to reveal molecular com- ponents unpinning the partition; however, it remains unclear quantitatively how individual parts orchestrate to yield precise resource allocation that is both robust and dynamic. Here we developed a coarse-grained mathematical framework that centers on guanosine pentaphosphate (ppGpp)-mediated regulation, and used it to systematically uncover the design principles of proteome allocation in Escherichia coli. Our results showed that cellular ability of resource partition lies in an ultrasensitive, negative feedback control- ling topology with the ultrasensitivity arising from zero-order amino acid kinetics and the negative feedback from ppGpp-controlled ribosome synthesis. In addition, together with the time-scale separation between slow ribosome kinetics and fast turnovers of ppGpp and amino acids, the network topology confers the organism an optimization mechanism which mimics sliding mode control, a nonlinear optimization strategy that is widely used in man-made systems. We further showed that such a controlling mechanism is robust against parameter variations and molecular fluctuations, and is also efficient for biomass production over time. Furthermore, this work elucidates the fundamental controlling mechanism of E. coli proteome allocation, thereby providing insights into quantitative microbial physiology as well as the design of synthetic gene networks.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Galerkin v. discrete-optimal projection in nonlinear model reduction

Discrete-optimal model-reduction techniques such as the Gauss{Newton with Approximated Tensors (GNAT) method have shown promise, as they have generated stable, accurate solutions for large-scale turbulent, compressible ow problems where standard Galerkin techniques have failed. However, there has been limited comparative analysis of the two approaches. This is due in part to difficulties arising from the fact that Galerkin techniques perform projection at the time-continuous level, while discrete-optimal techniques do so at the time-discrete level. This work provides a detailed theoretical and experimental comparison of the two techniques for two common classes of time integrators: linear multistep schemes and Runge{Kutta schemes. We present a number of new ndings, including conditions under which the discrete-optimal ROM has a time-continuous representation, conditions under which the two techniques are equivalent, and time-discrete error bounds for the two approaches. Perhaps most surprisingly, we demonstrate both theoretically and experimentally that decreasing the time step does not necessarily decrease the error for the discrete-optimal ROM; instead, the time step should be `matched' to the spectral content of the reduced basis. In numerical experiments carried out on a turbulent compressible- ow problem with over one million unknowns, we show that increasing the time step to an intermediate value decreases both the error and the simulation time of the discrete-optimal reduced-order model by an order of magnitude.

CFD↗

DOE OSTI2018

Asynchronously parallel optimization solver for finding multiple minima

This paper proposes and analyzes an asynchronously parallel optimization algorithm for finding multiple, high-quality minima of nonlinear optimization problems. Our multistart algorithm considers all previously evaluated points when determining where to start or continue a local optimization run. Theoretical results show that, under certain assumptions, the algorithm almost surely starts a finite number of local optimization runs and identifies, or has a single local optimization run converging to, every minimum. The algorithm is applicable to general optimization settings, but our numerical results focus on the case when derivatives are unavailable. In numerical tests, a PYTHON implementation of the algorithm is shown to yield good approximations of many minima (including a global minimum), and this ability scales well with additional resources. Our implementation’s time to solution is shown also to scale well even when the time to evaluate the function evaluation is highly variable.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Best Practices for Wake Model and Optimization Algorithm Selection in Wind Farm Layout Optimization

This paper presents the results of two case studies regarding the wind farm layout optimization problem. We asked a general audience to take part in the studies that we designed, and nine individuals participated. Case study 1 considered variations in optimization strategies for a given simple Gaussian wake model. Participants were provided with a wake model that outputs annual energy production (AEP) for an input set of wind turbine locations. Participants used an optimization method of their choosing to find an optimal wind farm layout. Case study 2 looked at trade-offs in performance resulting from variation in both physics model and optimization strategy. For case study 2, participants calculated AEP using a wake model of their choice while also implementing their chosen optimization method. Participants then used their wake model to calculate the AEP all other participant submitted turbine configurations produce for cross-comparison results. for optimized turbine locations were then cross-compared by recalculating the AEP using every other participant's wake model. Results for case study 1 show that the best optimal wind farm layouts in this study were achieved by participants who used gradient-based optimization methods. A front-runner emerged with the Sparse Nonlinear OPTimizer plus Wake Expansion Continuation (SNOPTplusWEC) optimization method, which consistently discovered a higher AEP for each scenario. Results for case study 2 show that for small wind farms with few turbines, turbine placement on the wind farm boundary is superior. Conclusions for case study 2 were drawn from participant cross-comparison of results.

17 WIND ENERGY↗

DOE OSTI2019

Best Practices for Wake Model and Optimization Algorithm Selection in Wind Farm Layout Optimization: Preprint

17 WIND ENERGY↗

DOE OSTI2011

ADDITIONAL QUADRUPOLES AT CENTER OF LONG STRAIGHTS IN THE NSLS-II LATTICE

The NSLS-II storage ring lattice is comprised of 30 DBA cells arranged in 15 superperiods. There are 15 long straight sections (9.3m) for injection, RF and insertion devices and 15 shorter straights (6.6m) for insertion devices. In the baseline lattice, the short straights have small horizontal and vertical beta functions but the long straights have large horizontal beta function optimized for injection. In this paper, we explore the possibility of installing additional quadrupoles at the center of selected long straight sections in order to provide two low-beta source locations for undulators in the same straight. The required modification to the linear lattice is discussed as well as the preservation of adequate dynamic aperture required for good injection efficiency and adequate Touschek lifetime. This paper discusses the possibility of producing two low-beta source locations for optimum brightness of undulators in the long straights of NSLS-II lattice by installing additional quadrupoles at the center. The linear optics is optimized to satisfy the requirements of lattice function and properties. Nonlinear optimization for a lattice with working point at (37.16, 17.22) is performed. Considering the magnets misalignment errors and physical apertures, we calculate the frequency maps and plot the tune footprint. The results show that the modified high-low beta function lattice can achieve a modest dynamic aperture in this preliminary study. Further work will continue to expand the dynamic aperture to meet the requirement of good injection efficiency and sufficient Touschek lifetime.

43 PARTICLE ACCELERATORS↗

DOE OSTI2013

Simulation-based optimal Bayesian experimental design for nonlinear systems

The optimal selection of experimental conditions is essential to maximizing the value of data for inference and prediction, particularly in situations where experiments are time-consuming and expensive to conduct. We propose a general mathematical framework and an algorithmic approach for optimal experimental design with nonlinear simulation-based models; in particular, we focus on finding sets of experiments that provide the most information about targeted sets of parameters. Our framework employs a Bayesian statistical setting, which provides a foundation for inference from noisy, indirect, and incomplete data, and a natural mechanism for incorporating heterogeneous sources of information. An objective function is constructed from information theoretic measures, reflecting expected information gain from proposed combinations of experiments. Polynomial chaos approximations and a two-stage Monte Carlo sampling method are used to evaluate the expected information gain. Stochastic approximation algorithms are then used to make optimization feasible in computationally intensive and high-dimensional settings. These algorithms are demonstrated on model problems and on nonlinear parameter inference problems arising in detailed combustion kinetics.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Full waveform inversion for time-distance helioseismology

Inferring interior properties of the Sun from photospheric measurements of the seismic wavefield constitutes the helioseismic inverse problem. Deviations in seismic measurements (such as wave travel times) from their fiducial values estimated for a given model of the solar interior imply that the model is inaccurate. Contemporary inversions in local helioseismology assume that properties of the solar interior are linearly related to measured travel-time deviations. It is widely known, however, that this assumption is invalid for sunspots and active regions and is likely for supergranular flows. Here, we introduce nonlinear optimization, executed iteratively, as a means of inverting for the subsurface structure of large-amplitude perturbations. Defining the penalty functional as the L {sub 2} norm of wave travel-time deviations, we compute the total misfit gradient of this functional with respect to the relevant model parameters at each iteration around the corresponding model. The model is successively improved using either steepest descent, conjugate gradient, or the quasi-Newton limited-memory Broyden-Fletcher-Goldfarb-Shanno algorithm. Performing nonlinear iterations requires privileging pixels (such as those in the near field of the scatterer), a practice that is not compliant with the standard assumption of translational invariance. Measurements for these inversions, although similar in principle to those used in time-distance helioseismology, require some retooling. For the sake of simplicity in illustrating the method, we consider a two-dimensional inverse problem with only a sound-speed perturbation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Non-negative Matrix Factorization for Self-calibration of Photometric Redshift Scatter in Weak-lensing Surveys

Photo- z error is one of the major sources of systematics degrading the accuracy of weak-lensing cosmological inferences. Zhang et al. proposed a self-calibration method combining galaxy–galaxy correlations and galaxy–shear correlations between different photo- z bins. Fisher matrix analysis shows that it can determine the rate of photo- z outliers at a level of 0.01%–1% merely using photometric data and do not rely on any prior knowledge. In this paper, we develop a new algorithm to implement this method by solving a constrained nonlinear optimization problem arising in the self-calibration process. Based on the techniques of fixed-point iteration and non-negative matrix factorization, the proposed algorithm can efficiently and robustly reconstruct the scattering probabilities between the true- z and photo- z bins. The algorithm has been tested extensively by applying it to mock data from simulated stage IV weak-lensing projects. We find that the algorithm provides a successful recovery of the scatter rates at the level of 0.01%–1%, and the true mean redshifts of photo- z bins at the level of 0.001, which may satisfy the requirements in future lensing surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

The Heuristic Static Load-Balancing Algorithm Applied to the Community Earth System Model

We propose to use the heuristic static loadbalancing (HSLB) algorithm for solving load-balancing problems in the Community Earth System Model (CESM), a climate model, using fitted benchmark data as an alternative to the current manual approach. The problem of allocating the optimal number of CPU cores to CESM components is formulated as a mixed-integer nonlinear optimization problem which is solved by using an optimization branch-and-bound solver implemented in the MINLP package MINOTAUR. The key feature of the branch-and- bound method is that it guarantees to provide an optimal solution or show that none exists. Our algorithm was tested for the 1 degrees and 1/8 degrees resolution simulations on 32,768 nodes (131,072 cores) of IBM Blue Gene/P where we consistently achieved well load-balanced results. This work is a part of a broader effort to eliminate the need for manual tuning of the code for each platform and simulation type, improve the performance and scalability of CESM, and develop automated tools to achieve these goals.

Alekseev, Yury↗