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At least 487 records · Page 27

AADL: Anderson Accelerated Deep Learning

We propose a stable, distributed approach to perform AA that accelerates the convergence rate of stochastic first-order optimizers to train neural networks. Differently from previous works, we do not alter neither the scheme to perform AA nor the loss function minimized during the training. To improve robustness against stagnation, we customize general guidelines that suggest to relax the frequency of AA corrections by performing AA only at the end of an entire training epoch. To improve robustness of AA against the stochastic oscillations of first-order optimizers, we average the gradients computed on consecutive stochastic optimization updates. The improved regularity of the converging sequence and the reduced amplitude of stochastic oscillations across consecutive optimization steps allows AA to efficiently extrapolate an improved converging sequence, thereby overcoming limitations of existing approaches to perform AA on stochastic optimization.

Lupo Pasini, Massimiliano [Oak Ridge National Lab.↗

Optimization of Stimulus Characteristics for Vestibular Stochastic Resonance to Improve Balance Function

Stochastic resonance (SR) is a mechanism by which noise can assist and enhance the response of neural systems to relevant sensory signals. Recent studies have shown that applying imperceptible stochastic noise electrical stimulation to the vestibular system significantly improved balance and ocular motor responses. The goal of this study was to optimize the amplitude of the stochastic vestibular signals for balance performance during standing on an unstable surface. Subjects performed a standardized balance task of standing on a block of 10-cm-thick medium-density foam with their eyes closed. Balance performance was measured using a force plate under the foam block and using inertial motion sensors placed on the torso and head segments. Stochastic electrical stimulation was applied to the vestibular system through electrodes placed over the mastoid process. Subjects were tested at seven amplitudes in the 0.01-30Hz frequency range. The root mean square of the signal increased by 30 microamperes for each +/-100 microampere increment in the current range of 0 - +/-700 microampere. Six balance parameters were calculated to characterize the performance of subjects during the baseline and the stimulus periods for all seven amplitudes. Optimal stimulus amplitude was determined as the one at which the ratio of parameters from the stimulus period to the baseline period for any amplitude range was less than that for the no stimulus condition on a minimum of four of six parameters. Results from this study showed that balance performance at the optimal stimulus amplitude showed significant improvement with the application of the vestibular SR stimulation. The amplitude of optimal stimulus for improving balance performance in normal subjects was in the range of +/-100 - +/-300 microamps.

Mulavara, Ajitkumar↗

Optimal Stimulus Amplitude for Vestibular Stochastic Stimulation to Improve Sensorimotor Function

Sensorimotor changes such as postural and gait instabilities can affect the functional performance of astronauts when they transition across different gravity environments. We are developing a method, based on stochastic resonance (SR), to enhance information transfer by applying non-zero levels of external noise on the vestibular system (vestibular stochastic resonance, VSR). Our previous work has shown the advantageous effects of VSR in a balance task of standing on an unstable surface. This technique to improve detection of vestibular signals uses a stimulus delivery system that is wearable or portable and provides imperceptibly low levels of white noise-based binaural bipolar electrical stimulation of the vestibular system. The goal of this project is to determine optimal levels of stimulation for SR applications by using a defined vestibular threshold of motion detection. A series of experiments were carried out to determine a robust paradigm to identify a vestibular threshold that can then be used to recommend optimal stimulation levels for SR training applications customized to each crewmember. Customizing stimulus intensity can maximize treatment effects. The amplitude of stimulation to be used in the VSR application has varied across studies in the literature such as 60% of nociceptive stimulus thresholds. We compared subjects' perceptual threshold with that obtained from two measures of body sway. Each test session was 463s long and consisted of several 15s sinusoidal stimuli, at different current amplitudes (0-2 mA), interspersed with 20-20.5s periods of no stimulation. Subjects sat on a chair with their eyes closed and had to report their perception of motion through a joystick. A force plate underneath the chair recorded medio-lateral shear forces and roll moments. First we determined the percent time during stimulation periods for which perception of motion (activity above a pre-defined threshold) was reported using the joystick, and body sway (two standard deviation of the noise level in the baseline measurement) was detected by the sensors. The percentage time at each stimulation level for motion detection was normalized with respect to the largest value and a logistic regression curve fit was applied to these data. The threshold was defined at the 50% probability of motion detection. Comparison of threshold of motion detection obtained from joystick data versus body sway suggests that perceptual thresholds were significantly lower, and were not impacted by system noise. Further, in order to determine optimal stimulation amplitude to improve balance, two sets of experiments were carried out. In the first set of experiments, all subjects received the same level of stimuli and the intensity of optimal performance was projected back on subjects' vestibular threshold curve. In the second set of experiments, on different subjects, stimulation was administered from 20-400% of subjects' vestibular threshold obtained from joystick data. Preliminary results of our study show that, in general, using stimulation amplitudes at 40-60% of perceptual motion threshold improved balance performance significantly compared to control (no stimulation). The amplitude of vestibular stimulation that improved balance function was predominantly in the range of +/- 100 to +/- 400 micro A. We hypothesize that VSR stimulation will act synergistically with sensorimotor adaptability (SA) training to improve adaptability by increasing utilization of vestibular information and therefore will help us to optimize and personalize a SA countermeasure prescription. This combination will help to significantly reduce the number of days required to recover functional performance to preflight levels after long-duration spaceflight.

Goel, R.↗

A Dynamic Amplitude-Correcting Gradient Estimation Technique to Align X-ray Focusing Optics

High-brightness X-rays, as produced at synchrotrons and X-ray free electron laser (XFEL) facilities, are used to characterize materials in a variety of scientific experiments. In most cases, effective use of the high-energy light requires precisely-aligned focusing optics; one example being a compound refractive lens (CRL). To align a CRL, the position and rotation must be optimized along four axes. In practice, this is a labor-intensive, time-consuming manual process that can monopolize scarce experimental time at the necessary X-ray facilities. Models of the expected Xray transmission function suggest that this task can be automated; however, the temporally-varying intensity at X-ray free electron laser facilities preclude the direct use of standard implementations of optimization solvers such as steepest descent algorithms. In this paper, we propose a novel technique to estimate the gradient of noisy functions with temporally-varying amplitudes. We construct this dynamicamplitude correction by systematically sampling a fixed central location within the standard finite difference stencil, accounting for the observed changes in time, and normalizing the difference quotients against those fluctuations. In addition to a rigorous error analysis of the sampling technique, we demonstrate its efficacy in stochastic descent optimization methods. Further, we demonstrate how this approach may be implemented to optimize X-ray focusing optics at synchrotrons or XFEL facilities

97 MATHEMATICS AND COMPUTING↗

Classifier-guided sampling for discrete variable, discontinuous design space exploration: Convergence and computational performance

A classifier-guided sampling (CGS) method is introduced for solving engineering design optimization problems with discrete and/or continuous variables and continuous and/or discontinuous responses. The method merges concepts from metamodel-guided sampling and population-based optimization algorithms. The CGS method uses a Bayesian network classifier for predicting the performance of new designs based on a set of known observations or training points. Unlike most metamodeling techniques, however, the classifier assigns a categorical class label to a new design, rather than predicting the resulting response in continuous space, and thereby accommodates nondifferentiable and discontinuous functions of discrete or categorical variables. The CGS method uses these classifiers to guide a population-based sampling process towards combinations of discrete and/or continuous variable values with a high probability of yielding preferred performance. Accordingly, the CGS method is appropriate for discrete/discontinuous design problems that are ill-suited for conventional metamodeling techniques and too computationally expensive to be solved by population-based algorithms alone. In addition, the rates of convergence and computational properties of the CGS method are investigated when applied to a set of discrete variable optimization problems. Results show that the CGS method significantly improves the rate of convergence towards known global optima, on average, when compared to genetic algorithms.

42 ENGINEERING↗

mpi-sppy: Optimization Under Uncertainty for Pyomo

We introduce a new Pyomo extension for optimization under uncertainty, mpi-sppy. This extension allows for the mixing of, and sharing of information between, various algorithmic approaches for optimization under uncertainty. We will discuss the underlying architecture and assess the performance and scalability of mpi-sppy on various systems, including HPC clusters.

27 ARPA - Advanced Research Projects Agency-Energy↗

Next-Cycle Optimal Fuel Control for Cycle-to-Cycle Variability Reduction in EGR-Diluted Combustion

In this simulation study, cycle-to-cycle fuel control was used to reduce CCV by injecting additional fuel in operating conditions with sporadic misfires and partial burns. An optimal control policy was proposed that utilizes 1) a physics-based model that tracks in-cylinder gas composition and 2) a one-step-ahead prediction of the combustion efficiency based on a kernel density estimator. The optimal solution, however, presents a tradeoff between the reduction in combustion CCV and the increase in fuel injection quantity required to stabilize the charge. Such a tradeoff can be ad- just by a single parameter embedded in the cost function.

Maldonado, BryanP. [Oak Ridge National Lab. (ORNL)↗

End-to-End Differentiable Modeling and Management of the Environment

Focal Area: (2) Data acquisition and assimilation enabled by machine learning, AI, and advanced methods including experimental/network design/optimization. We emphasize the importance of leveraging optimization techniques from AI/machine learning (ML) to solve challenging problems in Earth system modeling. Science Challenge: Automatic differentiation has had a transformative effect on ML by allowing the calculation of gradients of arbitrary functions in an incredibly large class of models. We can potentially realize similar improvements in parameter estimation and control for Earth system models (ESMs) by reimplementing them in computational frameworks from ML. Practitioners working with large (>10 7 parameters) models in ML and AI can obtain good predictive performance in a range of spatiotemporal tasks by making use of optimization via stochastic gradient descent and incorporating prior knowledge at multiple levels. We propose writing ESMs in open-source computational frameworks such as Torch, Tensorflow, and JAX to greatly expand the scope of environmental forecasting and management challenges, which can be addressed by leveraging automatic differentiation and gradient descent-like algorithms. We do not call for a wholesale replacement of physical models with data-driven surrogates, but rather advocate for interleaving physical and empirical equations in a manner that is most faithful to the extent of our scientific knowledge and observational data. Central to this topic is the merging of differentiable physical simulations with differentiable optimization layers, which are now both beginning to come to the forefront.

54 ENVIRONMENTAL SCIENCES↗

Estimation of an Optimal Stimulus Amplitude for Using Vestibular Stochastic Stimulation to Improve Balance Function

Sensorimotor changes such as postural and gait instabilities can affect the functional performance of astronauts when they transition across different gravity environments. We are developing a method, based on stochastic resonance (SR), to enhance information transfer by applying non-zero levels of external noise on the vestibular system (vestibular stochastic resonance, VSR). The goal of this project was to determine optimal levels of stimulation for SR applications by using a defined vestibular threshold of motion detection.

Goel, R.↗

A Machine Learning-Genetic Algorithm (ML-GA) Approach for Rapid Optimization Using High-Performance Computing

A Machine Learning-Genetic Algorithm (ML-GA) approach was developed to virtually discover optimum designs using training data generated from multi-dimensional simulations. Machine learning (ML) presents a pathway to transform complex physical processes that occur in a combustion engine into compact informational processes. In the present work, a total of over 2000 sector-mesh computational fluid dynamics (CFD) simulations of a heavy-duty engine were performed. These were run concurrently on a supercomputer to reduce overall turnaround time. The engine being optimized was run on a low-octane (RON70) gasoline fuel under partially premixed compression ignition (PPCI) mode. A total of nine input parameters were varied, and the CFD simulation cases were generated by randomly sampling points from this nine-dimensional input space. These input parameters included fuel injection strategy, injector design, and various in-cylinder flow and thermodynamic conditions at intake valve closure (IVC). The outputs (targets) of interest from these simulations included five metrics related to engine performance and emissions. Over 2000 samples generated from CFD were then used to train an ML model that could predict these five targets based on the nine input features. A robust super learner approach was employed to build the ML model, where results from a collection of different ML algorithms were pooled together. Thereafter, a stochastic global optimization genetic algorithm (GA) was used, with the ML model as the objective function, to optimize the input parameters based on a merit function so as to minimize fuel consumption while satisfying CO and NOx emissions constraints. The optimized configuration from ML-GA was found to be very close to that obtained from a sequentially performed CFD-GA approach, where a CFD simulation served as the objective function. In addition, the overall turnaround time was (at least) 75% lower with the ML-GA approach, as the training data was generated from concurrent CFD simulations and employing the ML model as the objective function significantly accelerated the GA optimization. Finally, this study demonstrates the potential of ML-GA and high-performance computing (HPC) to reduce the number of CFD simulations to be performed for optimization problems without loss in accuracy, thereby providing significant cost savings compared to traditional approaches.

97 MATHEMATICS AND COMPUTING↗

Finite elements for Matérn-type random fields: Uncertainty in computational mechanics and design optimization

This work highlights an approach for incorporating realistic uncertainties into scientific computing workflows based on finite elements, focusing on prevalent applications in computational mechanics and design optimization. We leverage Matérn-type Gaussian random fields (GRFs) generated using the SPDE method to model aleatoric uncertainties, including environmental influences, variating material properties, and geometric ambiguities. Our focus lies on delivering practical GRF realizations that accurately capture imperfections and variations and understanding how they impact the predictions of computational models as well as the shape and topology of optimized designs. Here we describe a numerical algorithm based on solving a generalized SPDE to sample GRFs on arbitrary meshed domains. The algorithm leverages established techniques and integrates seamlessly with the open-source finite element library MFEM and associated scientific computing workflows, like those found in industrial and national laboratory settings. Our solver scales efficiently for large-scale problems and supports various domain types, including surfaces and embedded manifolds. We showcase its versatility through biomechanics and topology optimization applications, emphasizing the potential to influence these domains. The flexibility and efficiency of SPDE-based GRF generation empowers us to run large-scale optimization problems on 2D and 3D domains, including finding optimized designs on embedded surfaces, and to generate design features and topologies beyond the reach of conventional techniques. Moreover, these capabilities allow us to model and quantify geometric uncertainties on reconstructed submanifolds, such as the interpolated surfaces of cerebral aneurysms provided by postprocessing CT scans. In addition to offering benefits in these specific domains, the proposed techniques transcend specific applications and generalize to arbitrary forward and backward problems in uncertainty quantification involving finite elements.

97 MATHEMATICS AND COMPUTING↗

Stochastic inverse problems: Models and metrics

In past work, we introduced model-based inverse methods, and applied them to problems in which the anomaly could be reasonably modeled by simple canonical shapes, such as rectangular solids. In these cases the parameters to be inverted would be length, width and height, as well as the occasional probe lift-off or rotation. We are now developing a formulation that allows more flexibility in modeling complex flaws. The idea consists of expanding the flaw in a sequence of basis functions, and then solving for the expansion coefficients of this sequence, which are modeled as independent random variables, uniformly distributed over their range of values. There are a number of applications of such modeling: 1. Connected cracks and multiple half-moons, which we have noted in a POD set. Ideally we would like to distinguish connected cracks from one long shallow crack. 2. Cracks of irregular profile and shape which have appeared in cold work holes during bolt-hole eddy-current inspection. One side of such cracks is much deeper than other. 3. L or C shaped crack profiles at the surface, examples of which have been seen in bolt-hole cracks. By formulating problems in a stochastic sense, we are able to leverage the stochastic global optimization algorithms in NLSE, which is resident in VIC-3D®, to answer questions of global minimization and to compute confidence bounds using the sensitivity coefficient that we get from NLSE. We will also address the issue of surrogate functions which are used during the inversion process, and how they contribute to the quality of the estimation of the bounds.

36 MATERIALS SCIENCE↗

TU-H-CAMPUS-JeP3-01: Towards Robust Adaptive Radiation Therapy Strategies

Purpose: To set up a framework combining robust treatment planning with adaptive reoptimization in order to maintain high treatment quality, to respond to interfractional variations and to identify those patients who will benefit the most from an adaptive fractionation schedule. Methods: We propose adaptive strategies based on stochastic minimax optimization for a series of simulated treatments on a one-dimensional patient phantom. The plan should be able to handle anticipated systematic and random errors and is applied during the first fractions. Information on the individual geometric variations is gathered at each fraction. At scheduled fractions, the impact of the measured errors on the delivered dose distribution is evaluated. For a patient that receives a dose that does not satisfy specified plan quality criteria, the plan is reoptimized based on these individual measurements using one of three different adaptive strategies. The reoptimized plan is then applied during future fractions until a new scheduled adaptation becomes necessary. In the first adaptive strategy the measured systematic and random error scenarios and their assigned probabilities are updated to guide the robust reoptimization. The focus of the second strategy lies on variation of the fraction of the worst scenarios taken into account during robust reoptimization. In the third strategy the uncertainty margins around the target are recalculated with the measured errors. Results: By studying the effect of the three adaptive strategies combined with various adaptation schedules on the same patient population, the group which benefits from adaptation is identified together with the most suitable strategy and schedule. Preliminary computational results indicate when and how best to adapt for the three different strategies. Conclusion: A workflow is presented that provides robust adaptation of the treatment plan throughout the course of treatment and useful measures to identify patients in need for an adaptive treatment strategy.

60 APPLIED LIFE SCIENCES↗

Technoeconomic assessment of hydrogen cogeneration via high temperature steam electrolysis with a light-water reactor

Increased electricity production from renewable energy resources, coupled with low natural gas (NG) prices, has caused existing light-water reactors (LWRs) to experience diminishing returns from the electricity market. This reduction in revenue is forcing LWRs to consider alternative revenue streams, such as introduction hydrogen production or desalination, to remain profitable. This paper performs a technoeconomic assessment (TEA) regarding the viability of retrofitting existing pressurized-water reactors (PWRs) to produce green hydrogen (H 2 ) via high-temperature steam electrolysis (HTSE). Such an integration would allow nuclear facilities to expand into additional markets that may be more profitable in the long term and eliminate CO 2 emissions from the hydrogen production process. Here, to accommodate such an integration, a detailed single market levelized cost of hydrogen (LCOH) and multimarket analyses were conducted of HTSE process operation, requirements, costing, and flexibility. Alongside this costing analysis, market analyses were conducted on the electric and hydrogen markets in the PJM interconnect. Utilizing a novel stochastic, dispatch optimization approach results suggest that a positive gain is achievable, and by operating in multiple markets, the nuclear facility can avoid the sale of electricity during times of low electricity market pricing, while maintaining the ability to capitalize on the high electricity market pricing. It should be noted that the analysis conducted is a differential cash flow analysis and, as such, does not present profit levels. LCOH analysis results demonstrate the potential exists to produce hydrogen at a cost as low as $1.20/kg. This price is lower than traditional steam methane reforming (SMR) allowing nuclear based hydrogen production to disrupt the existing hydrogen production market.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A control-inspired approach for energy transition planning under uncertainty

As the global carbon footprint continues to grow, many countries are implementing carbon emission reduction policies which have incentivized the expansion of low-carbon and renewable technologies. However, the speed and scale of deployment falls short of that needed to meet climate goals. Energy system models serve as key tools for guiding investment decisions and helping policymakers evaluate the effects of various policies on the development of an energy system. This study focuses on the energy system of the United States and builds upon prior work by incorporating more geographic granularity to account for the trade of commodities and addresses transmission congestion through electricity price adjustments. Furthermore, real-world characteristics, such as delays in constructing new liquid fuel production and electricity generation facilities, are integrated using a sequential decision-making approach that better reflects how decisions can be updated as uncertainties unfold. Results demonstrate that stochastic programming combined with sequential decision-making produces energy transition pathways that are robust to multiple uncertain futures. Additionally, considering real-world characteristics significantly impacts the deployment of renewable technologies and the ability to meet carbon emission reduction goals while also reliably meeting demand. These findings highlight the importance of accounting for uncertainty and real-world characteristics to avoid overly optimistic projections in energy system planning.

energy systems↗

Kernel learning backward SDE filter for data assimilation

In this paper, we develop a kernel learning backward SDE filter method to estimate the state of a stochastic dynamical system based on its partial noisy observations. A system of forward backward stochastic differential equations is used to propagate the state of the target dynamical model, and Bayesian inference is applied to incorporate the observational information. Further, to characterize the dynamical model in the entire state space, we introduce a kernel learning method to learn a continuous global approximation for the conditional probability density function of the target state by using discrete approximated density values as training data. Numerical experiments demonstrate that the kernel learning backward SDE is highly effective.

97 MATHEMATICS AND COMPUTING↗

Quantifying the impacts of climate change and extreme climate events on energy systems

Climate induced extreme weather events and weather variations will affect both the demand of energy and the resilience of energy supply systems. The specific potential impact of extreme events on energy systems has been difficult to quantify due to the unpredictability of future weather events. In this work, we develop a stochastic-robust optimization method to consider both low impact variations and extreme events. Applications of the method to 30 cities in Sweden, by considering 13 climate change scenarios, reveal that uncertainties in renewable energy potential and demand can lead to a significant performance gap (up to 34% for grid integration) brought by future climate variations and a drop in power supply reliability (up to 16%) due to extreme weather events. Finally, appropriate quantification of the climate change impacts will ensure robust operation of the energy systems and enable renewable energy penetration above 30% for a majority of the cities.

54 ENVIRONMENTAL SCIENCES↗