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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Technoeconomic Analysis of Novel PV Plant Designs for Extreme Cost Reductions

This project sought to gain a deeper understanding of the cost and performance of future solar photovoltaic (PV) plant components, including bifacial PV modules, tandem PV modules, increased plant voltage architectures, and module-level power electronics, and how they may be integrated into new PV plant designs to significantly reduce the levelized cost of electricity (LCOE) of PV. This was done through extensive modeling of current PV plants and future technologies in three different locations, informed by a comprehensive literature review and informational interviews to develop performance and cost assumptions for these technologies. Sensitivities were conducted to understand tradeoffs between different design options, such as the added energy from increasing row spacing versus additional land costs. An optimization tool was then created utilizing an evolutionary algorithm to determine an optimal PV plant configuration for a given set of technologies that resulted in minimized plant LCOE based upon typical performance and cost inputs.

14 SOLAR ENERGY↗
DOE OSTI2021

Initial use of Nek5000/Cardinal to improve closure models in Pronghorn

Heat transfer coefficient closure models for pebble bed reactors are built using a data-driven approach by leveraging the capabilities of an Evolutionary Algorithm entitled Particle Swarm Optimization (PSO). In the present work, the Computational Fluid Dynamics code nekRS was used in order to collect the high-fidelity flow data for a core with 1,568 pebbles. To characterize the heat transfer, multiple concentric regions were considered to extract the physical quantities of interest, e.g./ the Reynolds number. The PSO algorithm is employed as part of an inverse problem targeting determine what are the coefficients for a Nusselt number correlation to match the collected data. Such correlation should follow any given format that is defined a priori. Finally, two correlations are proposed, one with an implicit dependence on the pebbles’ wall temperatures and another expressed as a fully explicit correlation depending on the flow conditions and the position within the core. Anyway, given the generic nature of the proposed approach, correlations following different formats could be tested. Preliminary results for the high-fidelity simulation of a fast MSR core are presented. The target Reynolds number is currently 20K, with the expectation that this will increase, pending the availability of further computational resources. These simulations will be used to inform lower fidelity models, including a coarse CFD turbulence model in Pronghorn. Additionally, they will serve as a reference for the RANS models in Nek5000/NekRS.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

ARENA: Adversary-Resistant Evolving Neural Architectures

Neural networks are becoming the cornerstone for national security prediction tasks. However, designing them requires significant research and trial/error, as they have many hyperparameters, including their computation graph (“architecture”). Neural architecture search (NAS) employs secondary optimizers to search for architectures maximizing objectives like accuracy. Evolutionary algorithms (EAs) are the most used class of optimizer for NAS. However, existing Python libraries for writing EAs limit the complexity of experiments a user can design. In this project, we built ARENA, a Python framework that encodes complex, hyper-realistic EAs. ARENA collects detailed information as it runs and is flexible enough to encode non-EA search algorithms. We tested ARENA on 4 toy optimization problems by encoding 3 search algorithms for each—random search, an EA, and simulated annealing. We also designed an EA that performs NAS on the MNIST dataset. Our experiments suggest the potential for immediate mission impact through solving lab-wide optimization problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Explainable and Differentiable Reinforcement Learning for Multi-objective Optimization in Particle Accelerators

Operating particle accelerators involves optimizing multiple goals simultaneously, which can be challenging due to trade-offs among objectives. While evolutionary algorithms like the genetic algorithm (GA) have been used for various Multi-Objective Optimization (MOO) tasks, they are not inherently suited for complex control problems. This talk highlights two variations of Reinforcement Learning (RL) for concurrently optimizing heat load and trip rates at the Continuous Electron Beam Accelerator Facility (CEBAF). The problem involves strict constraints on individual states, actions, and overall energy requirements of the beam. First, this talk highlights how differentiability can be harnessed through a Deep Differentiable Reinforcement Learning (DDRL) approach to address MOO issues within particle accelerators. We examine the DDRL method alongside Model Free Reinforcement Learning (MFRL), GA, and Bayesian Optimization (BO). The performance of these methods is assessed by generating a Pareto-front for two objectives. Our findings indicate that DDRL excels in handling high-dimensional problems more effectively than MFRL, BO, and GA. Next, we will show integration of explainable physics-based constraints into RL algorithms to enhance trans- parency and trust in decision-making processes by enabling users to verify that agents adhere to established physical principles. This surrogate function can be modeled using neural networks or sparse dictionary mod- els. By examining the mathematical form of the learned constraint function, we are able to confirm the agent has learned to use the established physics of each environment provided but the surrogate model. In addi- tion, we find that the introduction of a mathematical functional dictionary based surrogate model enables our reinforcement learning algorithms to reliably converge for difficult high-dimensional accelerator controls environments.

Rajput, Kishansingh [Thomas Jefferson National Acc↗
DOE OSTI2015

Autotune

The Autotune software code uses an island-based evolutionary algorithm to solve multi-objective optimization problems. For the code provided, this has been applied to the whole-building simulation engine EnergyPlus to allow a software description of a building to be calibrated to measured data.

Joshua New, Aaron Garrett↗
DOE OSTI2021

Unsupervised Resource Allocation with Graph Neural Networks

We present an approach for maximizing a global utility function by learning how to allocate resources in an unsupervised way. We expect interactions between allocation targets to be important and therefore propose to learn the reward structure for near-optimal allocation policies with a GNN. By relaxing the resource constraint, we can employ gradient-based optimization in contrast to more standard evolutionary algorithms. Our algorithm is motivated by a problem in modern astronomy, where one needs to select-based on limited initial information-among $10^9$ galaxies those whose detailed measurement will lead to optimal inference of the composition of the universe. Our technique presents a way of flexibly learning an allocation strategy by only requiring forward simulators for the physics of interest and the measurement process. We anticipate that our technique will also find applications in a range of resource allocation problems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Gremlin

Gremlin is an evolutionary algorithm that discovers weaknesses in machine learning models.

Coletti, Mark↗
DOE OSTI2021

A parallel evolutionary multiple-try metropolis Markov chain Monte Carlo algorithm for sampling spatial partitions

We develop an Evolutionary Markov Chain Monte Carlo (EMCMC) algorithm for sampling spatial partitions that lie within a large, complex, and constrained spatial state space. Our algorithm combines the advantages of evolutionary algorithms (EAs) as optimization heuristics for state space traversal and the theoretical convergence properties of Markov Chain Monte Carlo algorithms for sampling from unknown distributions. Local optimality information that is identified via a directed search by our optimization heuristic is used to adaptively update a Markov chain in a promising direction within the framework of a Multiple-Try Metropolis Markov Chain model that incorporates a generalized Metropolis-Hastings ratio. We further expand the reach of our EMCMC algorithm by harnessing the computational power afforded by massively parallel computing architecture through the integration of a parallel EA framework that guides Markov chains running in parallel.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

“Teamwork Makes the Dream Work”: Tribal Competition Evolutionary Search as a Surrogate for Free-Energy-Based Structural Predictions

Crystal structure prediction has been a grand challenge in material science owing to the large configurational space that one must explore. Evolutionary (genetic) algorithms coupled with first principles calculations are commonly used in crystal structure prediction to sample the ground and metastable states of materials based on configurational energies. However, crystal structure predictions at finite temperature (T), pressure (P), and composition (X) require a free-energy-based search that is often computationally expensive and tedious. Here in this paper, we introduce a new machine-learning workflow for structure prediction that is based on a concept inspired by the evolution of human tribes in primitive society. Our tribal genetic algorithm (GA) combines configurational sampling with evolutionary optimization to accurately predict entropically stabilized phases at finite (T, P, X), at a computational cost that is an order of magnitude smaller than that required for a free-energy-based search. In a departure from standard GA techniques, the populations of individuals are divided into multiple tribes based on a bond-order fingerprint, and genetic operations are modified to ensure that cluster configurations are sampled adequately to capture entropic contributions. Team competition introduced into the evolutionary process allows winning teams (representing a better set of individuals) to expand their sizes; this translates into a more expanded search of the phase space allowing us to explore solutions near possible global minimum. Each team explores a specific section of the structural phase space and avoids bias on solutions arising from the use of individual populations in a purely energy-based search. We demonstrate the efficacy of our approach by performing the structural prediction of a representative two-dimensional two-body system as well as Lennard-Jones clusters over a range of temperatures up to its melting point. Our approach outperforms the standard GA approaches and enables structural search under “real nonambient conditions” on both bulk systems and finite-sized clusters.

36 MATERIALS SCIENCE↗
DOE OSTI2014

CrowdPhase: crowdsourcing the phase problem

The idea of attacking the phase problem by crowdsourcing is introduced. Using an interactive, multi-player, web-based system, participants work simultaneously to select phase sets that correspond to better electron-density maps in order to solve low-resolution phasing problems. The human mind innately excels at some complex tasks that are difficult to solve using computers alone. For complex problems amenable to parallelization, strategies can be developed to exploit human intelligence in a collective form: such approaches are sometimes referred to as ‘crowdsourcing’. Here, a first attempt at a crowdsourced approach for low-resolution ab initio phasing in macromolecular crystallography is proposed. A collaborative online game named CrowdPhase was designed, which relies on a human-powered genetic algorithm, where players control the selection mechanism during the evolutionary process. The algorithm starts from a population of ‘individuals’, each with a random genetic makeup, in this case a map prepared from a random set of phases, and tries to cause the population to evolve towards individuals with better phases based on Darwinian survival of the fittest. Players apply their pattern-recognition capabilities to evaluate the electron-density maps generated from these sets of phases and to select the fittest individuals. A user-friendly interface, a training stage and a competitive scoring system foster a network of well trained players who can guide the genetic algorithm towards better solutions from generation to generation via gameplay. CrowdPhase was applied to two synthetic low-resolution phasing puzzles and it was shown that players could successfully obtain phase sets in the 30° phase error range and corresponding molecular envelopes showing agreement with the low-resolution models. The successful preliminary studies suggest that with further development the crowdsourcing approach could fill a gap in current crystallographic methods by making it possible to extract meaningful information in cases where limited resolution might otherwise prevent initial phasing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Robust electromagnetically guided endoscopic procedure using enhanced particle swarm optimization for multimodal information fusion

Purpose: Electromagnetically guided endoscopic procedure, which aims at accurately and robustly localizing the endoscope, involves multimodal sensory information during interventions. However, it still remains challenging in how to integrate these information for precise and stable endoscopic guidance. To tackle such a challenge, this paper proposes a new framework on the basis of an enhanced particle swarm optimization method to effectively fuse these information for accurate and continuous endoscope localization. Methods: The authors use the particle swarm optimization method, which is one of stochastic evolutionary computation algorithms, to effectively fuse the multimodal information including preoperative information (i.e., computed tomography images) as a frame of reference, endoscopic camera videos, and positional sensor measurements (i.e., electromagnetic sensor outputs). Since the evolutionary computation method usually limits its possible premature convergence and evolutionary factors, the authors introduce the current (endoscopic camera and electromagnetic sensor’s) observation to boost the particle swarm optimization and also adaptively update evolutionary parameters in accordance with spatial constraints and the current observation, resulting in advantageous performance in the enhanced algorithm. Results: The experimental results demonstrate that the authors’ proposed method provides a more accurate and robust endoscopic guidance framework than state-of-the-art methods. The average guidance accuracy of the authors’ framework was about 3.0 mm and 5.6° while the previous methods show at least 3.9 mm and 7.0°. The average position and orientation smoothness of their method was 1.0 mm and 1.6°, which is significantly better than the other methods at least with (2.0 mm and 2.6°). Additionally, the average visual quality of the endoscopic guidance was improved to 0.29. Conclusions: A robust electromagnetically guided endoscopy framework was proposed on the basis of an enhanced particle swarm optimization method with using the current observation information and adaptive evolutionary factors. The authors proposed framework greatly reduced the guidance errors from (4.3, 7.8) to (3.0 mm, 5.6°), compared to state-of-the-art methods.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Inference of neutrino flavor evolution through data assimilation and neural differential equations

The evolution of neutrino flavor in dense environments such as core-collapse supernovae and binary compact object mergers constitutes an important and unsolved problem. Its solution has potential implications for the dynamics and heavy-element nucleosynthesis in these environments. In this paper, we build upon recent work to explore inference-based techniques for the estimation of model parameters and neutrino flavor evolution histories. Here, we combine data assimilation, ordinary differential equation solvers, and neural networks to craft an inference approach tailored for nonlinear dynamical systems. Using this architecture, and a simple two-neutrino-beam, two-flavor model, we compare the performances of nine different optimization algorithms and expand upon previous assessments of the efficacy of inference for tackling problems in flavor evolution. We find that employing this new architecture, together with evolutionary optimization algorithms, accurately captures flavor histories in the small-scale model and allows us to quickly explore both model parameters and initial flavor content. In future work we plan to extend these inference techniques to large numbers of neutrinos.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

An efficient, partitioned ensemble algorithm for simulating ensembles of evolutionary MHD flows at low magnetic Reynolds number

Studying the propagation of uncertainties in a nonlinear dynamical system usually involves generating a set of samples in the stochastic parameter space and then repeated simulations with different sampled parameters. The main difficulty faced in the process is the excessive computational cost. In this paper, we present an efficient, partitioned ensemble algorithm to determine multiple realizations of a reduced Magnetohydrodynamics (MHD) system, which models MHD flows at low magnetic Reynolds number. The algorithm decouples the fully coupled problem into two smaller subphysics problems, which reduces the size of the linear systems that to be solved and allows the use of optimized codes for each subphysics problem. Moreover, the resulting coefficient matrices are the same for all realizations at each time step, which allows faster computation of all realizations and significant savings in computational cost. We prove this algorithm is first order accurate and long time stable under a time step condition. Numerical examples are provided to verify the theoretical results and demonstrate the efficiency of the algorithm.

Jiang, Nan↗
DOE OSTI2019

Optimizing thermodynamic trajectories using evolutionary reinforcement learning

Using a model heat engine we show that neural network-based reinforcement learning can identify thermodynamic trajectories of maximal efficiency. We use an evolutionary learning algorithm to evolve a population of neural networks, subject to a directive to maximize the efficiency of a trajectory composed of a set of elementary thermodynamic processes; the resulting networks learn to carry out the maximally-efficient Carnot, Stirling, or Otto cycles. Given additional irreversible processes this evolutionary scheme learns a hitherto unknown thermodynamic cycle. Our results show how the reinforcement learning strategies developed for game playing can be applied to solve physical problems conditioned upon path-extensive order parameters.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Optimizing thermodynamic trajectories using evolutionary and gradient-based reinforcement learning

Here using a model heat engine, we show that neural-network-based reinforcement learning can identify thermodynamic trajectories of maximal efficiency. We consider both gradient and gradient-free reinforcement learning. We use an evolutionary learning algorithm to evolve a population of neural networks, subject to a directive to maximize the efficiency of a trajectory composed of a set of elementary thermodynamic processes; the resulting networks learn to carry out the maximally efficient Carnot, Stirling, or Otto cycles. When given an additional irreversible process, this evolutionary scheme learns a previously unknown thermodynamic cycle. Gradient-based reinforcement learning is able to learn the Stirling cycle, whereas an evolutionary approach achieves the optimal Carnot cycle. Our results show how the reinforcement learning strategies developed for game playing can be applied to solve physical problems conditioned upon path-extensive order parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Pattern recognition with composite correlation filters designed with multi-object combinatorial optimization

Composite correlation filters are used for solving a wide variety of pattern recognition problems. These filters are given by a combination of several training templates chosen by a designer in an ad hoc manner. In this work, we present a new approach for the design of composite filters based on multi-objective combinatorial optimization. Given a vast search space of training templates, an iterative algorithm is used to synthesize a filter with an optimized performance in terms of several competing criteria. Furthermore, by employing a suggested binary-search procedure a filter bank with a minimum number of filters can be constructed, for a prespecified trade-off of performance metrics. Computer simulation results obtained with the proposed method in recognizing geometrically distorted versions of a target in cluttered and noisy scenes are discussed and compared in terms of recognition performance and complexity with existing state-of-the-art filters.

42 ENGINEERING↗
DOE OSTI2017

Software defined network inference with evolutionary optimal observation matrices

A key requirement for network management is the accurate and reliable monitoring of relevant network characteristics. In today's large-scale networks, this is a challenging task due to the scarcity of network measurement resources and the hard constraints that this imposes. Here, this paper proposes a new framework, called SNIPER, which leverages the flexibility provided by Software-Defined Networking (SDN) to design the optimal observation or measurement matrix that can lead to the best achievable estimation accuracy using Matrix Completion (MC) techniques. To cope with the complexity of designing large-scale optimal observation matrices, we use the Evolutionary Optimization Algorithms (EOA) which directly target the ultimate estimation accuracy as the optimization objective function. We evaluate the performance of SNIPER using both synthetic and real network measurement traces from different network topologies and by considering two main applications for per-flow size and delay estimations. Our results show that SNIPER can be applied to a variety of network performance measurements under hard resource constraints. For example, by measuring only 8.8% of all per-flow path delays in Harvard network [1], congested paths can be detected with probability of 0.94. Finally, to demonstrate the feasibility of our framework, we also have implemented a prototype of SNIPER in Mininet.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Prediction of perovskite and other ternary oxide multilayers as mirrors for soft X-rays

Highlights: • Theoretical framework to identify optimal multilayers for high x-ray reflectivity. • Perovskite oxide multilayers are proposed as soft x-ray mirrors. • High soft x-ray reflectivity up to 33% are expected in perovskite multilayers. - Abstract: We propose multilayers of perovskite and related ternary oxides with a general formula of ABO{sub 3} as high reflectivity mirrors, especially for use in water window region (2.3–4.4 nm). The high reflectivity combinations of oxide multilayers were deduced using evolutionary search algorithms such as genetic algorithms, and the calculation speed was accelerated via parallel computing methods We also propose a figure of merit for X-ray reflectivity in periodic multilayers systems, which can simplify the future efforts on identifying material combinations, and the search through this multi-dimensional parameter space. The highest reflectivity value was found to be over 33% at 3.1 nm in the water window region. The effect of interface roughness was simulated and the decrease in reflectivity was found to be modest for practically achievable roughness values. This work establishes the foundation for future experimental and theoretical studies towards achieving high reflectivity x-ray mirrors of complex oxide multilayers.

36 MATERIALS SCIENCE↗