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Results for “data driven optimization”

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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Residuals-based distributionally robust optimization with covariate information

We consider data-driven approaches that integrate a machine learning prediction model within distributionally robust optimization (DRO) given limited joint observations of uncertain parameters and covariates. Our framework is flexible in the sense that it can accommodate a variety of regression setups and DRO ambiguity sets. We investigate asymptotic and finite sample properties of solutions obtained using Wasserstein, sample robust optimization, and phi-divergence-based ambiguity sets within our DRO formulations, and explore cross-validation approaches for sizing these ambiguity sets. Through numerical experiments, we validate our theoretical results, study the effectiveness of our approaches for sizing ambiguity sets, and illustrate the benefits of our DRO formulations in the limited data regime even when the prediction model is misspecified.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Hybrid Data‐Driven Discovery of High‐Performance Silver Selenide‐Based Thermoelectric Composites

Optimizing material compositions often enhances thermoelectric performances. However, the large selection of possible base elements and dopants results in a vast composition design space that is too large to systematically search using solely domain knowledge. To address this challenge, a hybrid data-driven strategy that integrates Bayesian optimization (BO) and Gaussian process regression (GPR) is proposed to optimize the composition of five elements (Ag, Se, S, Cu, and Te) in AgSe-based thermoelectric materials. Data is collected from the literature to provide prior knowledge for the initial GPR model, which is updated by actively collected experimental data during the iteration between BO and experiments. Within seven iterations, the optimized AgSe-based materials prepared using a simple high-throughput ink mixing and blade coating method deliver a high power factor of 2100 µW m −1 K −2 , which is a 75% improvement from the baseline composite (nominal composition of Ag 2 Se 1 ). In conclusion, the success of this study provides opportunities to generalize the demonstrated active machine learning technique to accelerate the development and optimization of a wide range of material systems with reduced experimental trials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Design optimization of MAPS-based detectors using a data-driven fast simulation approach

A parametric simulation tool for pixel sensors is presented. A realistic pixel response is simulated purely based on measurement input, without requiring detailed knowledge of the underlying manufacturing process. As such, it provides an efficient alternative to the use of Technology Computer-Aided Design simulations, which typically depend on proprietary process information. Due to its parametric approach, the package is fast and thus particularly useful for larger detector systems and high hit rate environments. This work presents measurements, simulation and its validation for the MALTA2 sensor. It is a small collection electrode monolithic active pixel sensor produced in the Tower 180 nm complementary metal-oxide-semiconductor imaging process. Modifications to the sensor’s periphery, mainly in the hit merger, are studied in order to optimize the performance for tracking and calorimetry. This optimization is of special interest as part of the MALTA3 sensor redesign in the 65 nm Tower Partners Semiconductor Co. process.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

A transfer learning approach to energy-efficient control of small and medium-sized commercial buildings

Model-free reinforcement learning (RL) provides a data-driven and adaptive approach to optimize building energy use while satisfying occupant comfort. This powerful tool does not need any prior knowledge about the environment and system it is optimizing and can adapt its policy based on the changes in captures. Like any other data-driven tool, it faces high training costs due to the extensive agent-environment interactions required to capture long-term building dynamics and user comfort. Transfer learning, particularly policy distillation, offers a promising way to accelerate training by leveraging pretrained RL agents in different building and system types. Here, this study investigates online student distillation, in which the student model updates its neural network weights using outputs from teacher models. The work introduces a student distillation strategy designed for efficient knowledge transfer, along with a teacher selection method that ensures high-quality guidance. The approach is validated using a highly calibrated whole building energy model for a small/medium commercial building test facility. Results show substantial reductions in training time and data requirements while surpassing the performance of ASHRAE Guideline 36, an advanced rule-based control strategy. The distilled RL model required 45% less data and achieved 20% higher cumulative rewards than a state-of-the-art RL model, with faster convergence and lower energy consumption. These outcomes demonstrate that effective transfer learning enables a scalable and data-efficient energy management solution for commercial buildings.

ASHRAE guideline 36↗
DOE OSTI2025

Hybrid data-driven cement-stabilized soil design: An integration of machine learning, multi-objective optimization, and life cycle assessment

Soil stabilization is crucial in geotechnical engineering, yet conventional methods are often time-consuming, resource-intensive, and environmentally unsustainable. Despite growing interest in Machine Learning (ML) and optimization tools for mix design, few studies integrate these methods with decision-making techniques and environmental assessment to support practical implementation. This study proposes a hybrid data-driven framework for predicting strength, optimizing mix compositions, and evaluating environmental impacts via life cycle assessment of cement-stabilized soft soils. Six ML models were evaluated, and the top-performing eXtreme Gradient Boosting (XGB) model was further improved using the Grey Wolf Optimizer (GWO). The optimized XGB-GWO model, integrated with a polynomial cost function, served as the objective function in a multi-objective optimization problem solved via the Non-Dominated Sorting Genetic Algorithm II (NSGA-II), with final mix selection guided by the entropy-weighted TOPSIS method. Validation through a case study produced mix designs offering superior strength-cost trade-offs, with the optimal mix achieving 2243.2 kPa unconfined compressive strength and a 16.07 % reduction in carbon emissions compared to the highest-cost design. In conclusion, this study offers a sustainable, scalable approach to soil stabilization and supports informed decision-making in construction.

Life cycle assessment↗
DOE OSTI2023

Optimizing Seasonal‐To‐Decadal Analog Forecasts With a Learned Spatially‐Weighted Mask

Abstract Seasonal‐to‐decadal climate prediction is crucial for decision‐making in a number of industries, but forecasts on these timescales have limited skill. Here, we develop a data‐driven method for selecting optimal analogs for seasonal‐to‐decadal analog forecasting. Using an interpretable neural network, we learn a spatially‐weighted mask that quantifies how important each grid point is for determining whether two climate states will evolve similarly. We show that analogs selected using this weighted mask provide more skillful forecasts than analogs that are selected using traditional spatially‐uniform methods. This method is tested on two prediction problems using the Max Planck Institute for Meteorology Grand Ensemble: multi‐year prediction of North Atlantic sea surface temperatures, and seasonal prediction of El Niño Southern Oscillation. This work demonstrates a methodical approach to selecting analogs that may be useful for improving seasonal‐to‐decadal forecasts and understanding their sources of skill.

Geology↗
DOE OSTI2021

Bilinear dynamic mode decomposition for quantum control

Abstract Data-driven methods for establishing quantum optimal control (QOC) using time-dependent control pulses tailored to specific quantum dynamical systems and desired control objectives are critical for many emerging quantum technologies. We develop a data-driven regression procedure, bilinear dynamic mode decomposition (biDMD), that leverages time-series measurements to establish quantum system identification for QOC. The biDMD optimization framework is a physics-informed regression that makes use of the known underlying Hamiltonian structure. Further, the biDMD can be modified to model both fast and slow sampling of control signals, the latter by way of stroboscopic sampling strategies. The biDMD method provides a flexible, interpretable, and adaptive regression framework for real-time, online implementation in quantum systems. Further, the method has strong theoretical connections to Koopman theory, which approximates nonlinear dynamics with linear operators. In comparison with many machine learning paradigms minimal data is needed to construct a biDMD model, and the model is easily updated as new data is collected. We demonstrate the efficacy and performance of the approach on a number of representative quantum systems, showing that it also matches experimental results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Reinforcement Learning Control for Buildings Co-Optimizing Energy, Comfort, and Indoor Air Quality: An Annual Assessment

Efficient control of Heating, Ventilation, and Air Conditioning (HVAC) systems is crucial for optimizing energy use and maintaining indoor comfort in buildings. Traditional control methods, such as PID control, cannot handle energy use trade-offs among multiple components in the building energy system at a supervisory level. Reinforcement learning (RL) presents a promising solution, offering adaptive and data-driven control strategies that optimize performance over time. However, RL also faces several challenges, including the conflicts encountered in co-optimizing energy savings, occupant comfort, and indoor air quality, and the requirement for extensive interactions with the environment in training. We proposed a flexible simulation platform that integrates a hybrid model for RL training and designed an RL agent to control the entire central HVAC system, focusing on co-optimizing energy consumption, thermal comfort, and indoor air quality ($\text{CO}_{2}$ and PM2.5 concentrations). Finally, we evaluated the RL agent's performance over an annual cycle. Our findings indicate that the RL agent can effectively manage the HVAC system with 14.7 % energy savings annually and balance multiple objectives, which demonstrates significant potential for improving HVAC system control and sustainability in buildings.

Guo, Fangzhou↗
DOE OSTI2024

Multivariate Bayesian Optimization of CoO Nanoparticles for CO 2 Hydrogenation Catalysis

The hydrogenation of CO 2 holds promise for transforming the production of renewable fuels and chemicals. However, the challenge lies in developing robust and selective catalysts for this process. Transition metal oxide catalysts, particularly cobalt oxide, have shown potential for CO 2 hydrogenation, with performance heavily reliant on crystal phase and morphology. Achieving precise control over these catalyst attributes through colloidal nanoparticle synthesis could pave the way for catalyst and process advancement. Yet, navigating the complexities of colloidal nanoparticle syntheses, governed by numerous input variables, poses a significant challenge in systematically controlling resultant catalyst features. We present a multivariate Bayesian optimization, coupled with a data-driven classifier, to map the synthetic design space for colloidal CoO nanoparticles and simultaneously optimize them for multiple catalytically relevant features within a target crystalline phase. The optimized experimental conditions yielded small, phase-pure rock salt CoO nanoparticles of uniform size and shape. These optimized nanoparticles were then supported on SiO 2 and assessed for thermocatalytic CO 2 hydrogenation against larger, polydisperse CoO nanoparticles on SiO 2 and a conventionally prepared catalyst. The optimized CoO/SiO 2 catalyst consistently exhibited higher activity and CH 4 selectivity (ca. 98%) across various pretreatment reduction temperatures as compared to the other catalysts. This remarkable performance was attributed to particle stability and consistent H* surface coverage, even after undergoing the highest temperature reduction, achieving a more stable catalytic species that resists sintering and carbon occlusion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Data-Driven Modeling of a High Capacity Cryogenic System for Control Optimization

The Cryogenic Moderator System (CMS) is responsible for maintaining a steady flow of cold neutrons for numerous physics experiments at the Spallation Neutron Source (SNS) in Oak Ridge National Laboratory (ORNL). Sudden losses in beam power, known as beam trips, cause a major disturbance to the CMS due to large step changes in cooling demands. Ongoing efforts on upgrading the neutron beam power from 1.4 to 2.0MW are expected to generate larger transients that can further strain the CMS subsystems if they are not properly controlled. To manage such disturbances, four flow valves and one electric heater are adjusted by five decentralized proportional-integral-derivative (PID) controllers. However, the original PID gains were calibrated empirically based only on tracking performance and not based on disturbance rejection. To address this issue without compromising current CMS operations, a control-oriented model was developed to recalibrate the PID controllers offline. The zero-dimensional (0-D) model was based on simple physics-based principles and data-driven system identification techniques. The CMS was broken into several subsystems for analysis, each of which corresponds to a parametric model tied to the thermodynamic states of the working fluid. The model parameters were identified using the nonlinear least squares method where the residuals were calculated from available sensor data. Simulation results show that the proposed model can capture the dynamics of the CMS at steady state and during beam trips.

Maldonado Puente, Bryan↗
DOE OSTI2023

Optimizing Patient-Specific Medication Regimen Policies Using Wearable Sensors in Parkinson’s Disease

Effective treatment of Parkinson’s disease (PD) is a continual challenge for healthcare providers, and providers can benefit from leveraging emerging technologies to supplement traditional clinic care. We develop a data-driven reinforcement learning (RL) framework to optimize PD medication regimens through wearable sensors. We leverage a data set of n = 26 PD patients who wore wrist-mounted movement trackers for two separate six-day periods. Using these data, we first build and validate a simulation model of how individual patients’ movement symptoms respond to medication administration. We then pair this simulation model with an on-policy RL algorithm that recommends optimal medication types, timing, and dosages during the day while incorporating human-in-the-loop considerations on medication administration. The results show that the RL-prescribed medication regimens outperform physicians’ medication regimens, despite physicians having access to the same data as the RL agent. To validate our results, we assess our wearable-based RL medication regimens using n = 399 PD patients from the Parkinson’s Progression Markers Initiative data set. We show that the wearable-based RL medication regimens would lead to significant symptom improvement for these patients, even more so than training RL policies directly from this data set. In doing so, we show that RL models from even small data sets of wearable data can offer novel, generalizable clinical insights and medication strategies, which may outperform those derived from larger data sets without wearable data.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Online data-enabled predictive control

We develop an online data-enabled predictive (ODeePC) control method for optimal control of unknown systems, building on the recently proposed DeePC (Coulson et al., 2019). Our proposed ODeePC method leverages a primal-dual algorithm with real-time measurement feedback to iteratively compute the corresponding real-time optimal control policy as system conditions change. The proposed ODeePC conceptual-wise resembles standard adaptive system identification and model predictive control (MPC), but it provides a new alternative for the standard methods. ODeePC is enabled by computationally efficient methods that exploit the special structure of the Hankel matrices in the context of DeePC with Fast Fourier Transform (FFT) and primal-dual algorithm We provide theoretical guarantees regarding the asymptotic behavior of ODeePC, and we demonstrate its performance through numerical examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Uncertainty quantification of a deep learning fuel property prediction model

Deep learning models are being widely used in the field of combustion. Given the black-box nature of typical neural network based models, uncertainty quantification (UQ) is critical to ensure the reliability of predictions as well as the training datasets, and for a principled quantification of noise and its various sources. Deep learning surrogate models for predicting properties of chemical compounds and mixtures have been recently shown to be promising for enabling data-driven fuel design and optimization, with the ultimate goal of improving efficiency and lowering emissions from combustion engines. In this study, UQ is performed for a multi-task deep learning model that simultaneously predicts the research octane number (RON), Motor Octane Number (MON), and Yield Sooting Index (YSI) of pure components and multicomponent blends. The deep learning model is comprised of three smaller networks: Extractor 1, Extractor 2, and Predictor, and a mixing operator. The molecular fingerprints of individual components are encoded via Extractor 1 and Extractor 2, the mixing operator generates fingerprints for mixtures/blends based on linear mixing operation, and the predictor maps the fingerprint to the target properties. Two different classes of UQ methods, Monte Carlo ensemble methods and Bayesian neural networks (BNNs), are employed for quantifying the epistemic uncertainty. Combinations of Bernoulli and Gaussian distributions with DropConnect and DropOut techniques are explored as ensemble methods. All the DropConnect, DropOut and Bayesian layers are applied to the predictor network. Aleatoric uncertainty is modeled by assuming that each data point has an independent uncertainty associated with it. The results of the UQ study are further analyzed to compare the performance of BNN and ensemble methods. Although this study is confined to UQ of fuel property prediction, the methodologies are applicable to other deep learning frameworks that are being widely used in the combustion community.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Dynamic Multiplexed Control and Modeling of Optogenetic Systems Using the High-Throughput Optogenetic Platform, Lustro

The ability to control cellular processes using optogenetics is inducer-limited, with most optogenetic systems responding to blue light. To address this limitation, we leverage an integrated framework combining Lustro, a powerful high-throughput optogenetics platform, and machine learning tools to enable multiplexed control over blue light-sensitive optogenetic systems. Specifically, we identify light induction conditions for sequential activation as well as preferential activation and switching between pairs of light-sensitive split transcription factors in the budding yeast, Saccharomyces cerevisiae. We use the high-throughput data generated from Lustro to build a Bayesian optimization framework that incorporates data-driven learning, uncertainty quantification, and experimental design to enable the prediction of system behavior and the identification of optimal conditions for multiplexed control. This work lays the foundation for designing more advanced synthetic biological circuits incorporating optogenetics, where multiple circuit components can be controlled using designer light induction programs, with broad implications for biotechnology and bioengineering.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Air Conditioning Systems Fault Detection and Diagnosis-Based Sensing and Data-Driven Approaches

The air conditioning (AC) system is the primary building end-use contributor to the peak demand for energy. The energy consumed by this system has grown as fast as it has in the last few decades, not only in the residential section but also in the industry and transport sectors. Therefore, to combat energy crises, urgent actions on energy efficiency should be taken to support energy security. Consequently, the faults in AC system components increase energy consumption due to the degradation of the system’s performance and the losses in the energy conversion procedure. In this work, AC system fault detection and diagnosis (FDD) methods are investigated to propose analytic tools to identify faults and provide solutions to those problems. The analysis of existing work shows that data-driven approaches are more accurate for both soft and hard fault detection and diagnosis in AC systems. Therefore, the proposed methods are not accurate for simultaneous fault detection, while in some works, authors tested the method with several faults separately without investigating scenarios that combine more than one fault. Moreover, this study shows that integrating data-driven approaches requires deploying an optimal sensing and measurement architecture that can detect a maximum number of faults with minimally deployed sensors. The new sensing, information, and communication technologies are discussed for their integration in AC system monitoring in order to optimize system operation and detect faults.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Residuals-based distributionally robust optimization with covariate information

We consider data-driven approaches that integrate a machine learning prediction model within distributionally robust optimization (DRO) given limited joint observations of uncertain parameters and covariates. Our framework is flexible in the sense that it can accommodate a variety of regression setups and DRO ambiguity sets. We investigate asymptotic and finite sample properties of solutions obtained using Wasserstein, sample robust optimization, and phi-divergence-based ambiguity sets within our DRO formulations, and explore cross-validation approaches for sizing these ambiguity sets. Through numerical experiments, we validate our theoretical results, study the effectiveness of our approaches for sizing ambiguity sets, and illustrate the benefits of our DRO formulations in the limited data regime even when the prediction model is misspecified.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Comparison of time-frequency-analysis techniques applied in building energy data noise cancellation for building load forecasting: A real-building case study

Time-frequency analysis that disaggregates a signal in both time and frequency domain is an important supporting technique for building energy analysis such as noise cancellation in data-driven building load forecasting. There is a gap in the literature related to comparing various time–frequency-analysis techniques, especially discrete wavelet transform (DWT) and empirical mode decomposition (EMD), to guide the selection and tuning of time–frequency-analysis techniques in data-driven building load forecasting. This article provides a framework to conduct a comprehensive comparison among thirteen DWT/EMD techniques with various parameters in a load forecasting modeling task. A real campus building is used as a case study for illustration. The DWT and EMD techniques are also compared under various data-driven modeling algorithms for building load forecasting. The results in the case study show that the load forecasting models trained with noise-cancelled energy data have increased their accuracy to 9.6% on average tested under unseen data. This study also shows that the effectiveness of DWT/EMD techniques depends on the data-driven algorithms used for load forecasting modeling and the training data. Hence, DWT/EMD-based noise cancellation needs customized selection and tuning to optimize their performance for data-driven building load forecasting modeling.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗