Results for “machine learning optimization” — Page 17

Neural networks and computer vision techniques are used to rapidly predict solid oxide fuel and electrolysis cell performance from low-resolution tomographic data.

Epting, William↗

DOE OSTI2022

Optimization of an Optical Shutter using Machine Learning.

Abstract not provided.

Jasperson, Benjamin A.↗

DOE OSTI2026

Optimizing Neutrino Flavor Conversion Measurements through Machine Learning

The phenomenon of neutrino flavor conversion whereby the flavor of a neutrino particle can change between its time of production and later detection was the first definitive evidence of physics beyond the Standard Model. Some of the oscillation parameters used to describe this conversion are not yet well measured, leaving important questions still open regarding flavor conversion both in vacuum and as neutrinos travel through matter. NOvA is a long-baseline neutrino oscillation experiment that uses Fermilab's predominantly $\nu_\mu$ NuMI beam. A 14 kton oil-based liquid scintillator far detector 810 km away is used to measure neutrino oscillation through the $\nu_\mu$ disappearance and $\nu_e$ appearance channels. Super-K is a 50 kton water Cherenkov detector, which measures the disappearance of $\nu_e$ produced during solar fusion. The high density environment of the sun decreases the $\nu_e$ survival probability at higher energies observable in Super-K compared to the vacuum-dominated oscillations at lower energies. However, the transition region is overshadowed by radioactive background in the detector. In both of these experiments, the separation of neutrino detection events from background and classification of neutrino flavor are crucial tasks that benefit from the introduction of machine learning. Chapter 1 gives an overview of neutrinos and the context under which flavor conversion is measured in this dissertation. Chapters 2-7 present the results of a Bayesian sampling approach for the latest NOvA 3-flavor oscillation analysis with $26.6 \times 10^{20}$ protons on target in neutrino mode and $12.5 \times 10^{20}$ in antineutrino mode collected over 10 years. Chapters 8-13 present the results of extending the Super-K solar analysis to lower energies during its fourth phase with 2970 days of livetime.

Yankelevich, Alejandro Jaime [UC, Irvine]↗

DOE OSTI2026

Optimizing Neutrino Flavor Conversion Measurements through Machine Learning

The phenomenon of neutrino flavor conversion whereby the flavor of a neutrino particle can change between its time of production and later detection was the first definitive evidence of physics beyond the Standard Model. Some of the oscillation parameters used to describe this conversion are not yet well measured, leaving important questions still open regarding flavor conversion both in vacuum and as neutrinos travel through matter. NOvA is a long-baseline neutrino oscillation experiment that uses Fermilab's predominantly $\nu_\mu$ NuMI beam. A 14 kton oil-based liquid scintillator far detector 810 km away is used to measure neutrino oscillation through the $\nu_\mu$ disappearance and $\nu_e$ appearance channels. Super-K is a 50 kton water Cherenkov detector, which measures the disappearance of $\nu_e$ produced during solar fusion. The high density environment of the sun decreases the $\nu_e$ survival probability at higher energies observable in Super-K compared to the vacuum-dominated oscillations at lower energies. However, the transition region is overshadowed by radioactive background in the detector. In both of these experiments, the separation of neutrino detection events from background and classification of neutrino flavor are crucial tasks that benefit from the introduction of machine learning. Chapter 1 gives an overview of neutrinos and the context under which flavor conversion is measured in this dissertation. Chapters 2-7 present the results of a Bayesian sampling approach for the latest NOvA 3-flavor oscillation analysis with $26.6 \times 10^{20}$ protons on target in neutrino mode and $12.5 \times 10^{20}$ in antineutrino mode collected over 10 years. Chapters 8-13 present the results of extending the Super-K solar analysis to lower energies during its fourth phase with 2970 days of livetime.

Yankelevich, Alejandro Jaime [UC, Irvine]↗

DOE OSTI2026

Optimizing Neutrino Flavor Conversion Measurements through Machine Learning

The phenomenon of neutrino flavor conversion whereby the flavor of a neutrino particle can change between its time of production and later detection was the first definitive evidence of physics beyond the Standard Model. Some of the oscillation parameters used to describe this conversion are not yet well measured, leaving important questions still open regarding flavor conversion both in vacuum and as neutrinos travel through matter. NOvA is a long-baseline neutrino oscillation experiment that uses Fermilab's predominantly $\nu_\mu$ NuMI beam. A 14 kton oil-based liquid scintillator far detector 810 km away is used to measure neutrino oscillation through the $\nu_\mu$ disappearance and $\nu_e$ appearance channels. Super-K is a 50 kton water Cherenkov detector, which measures the disappearance of $\nu_e$ produced during solar fusion. The high density environment of the sun decreases the $\nu_e$ survival probability at higher energies observable in Super-K compared to the vacuum-dominated oscillations at lower energies. However, the transition region is overshadowed by radioactive background in the detector. In both of these experiments, the separation of neutrino detection events from background and classification of neutrino flavor are crucial tasks that benefit from the introduction of machine learning. Chapter 1 gives an overview of neutrinos and the context under which flavor conversion is measured in this dissertation. Chapters 2-7 present the results of a Bayesian sampling approach for the latest NOvA 3-flavor oscillation analysis with $26.6 \times 10^{20}$ protons on target in neutrino mode and $12.5 \times 10^{20}$ in antineutrino mode collected over 10 years. Chapters 8-13 present the results of extending the Super-K solar analysis to lower energies during its fourth phase with 2970 days of livetime.

Yankelevich, Alejandro Jaime [UC, Irvine] (ORCID:0↗

DOE OSTI2023

DeCOIL: Optimization of Degenerate Codon Libraries for Machine Learning-Assisted Protein Engineering

With advances in machine learning (ML)-assisted protein engineering, models based on data, biophysics, and natural evolution are being used to propose informed libraries of protein variants to explore. Synthesizing these libraries for experimental screens is a major bottleneck, as the cost of obtaining large numbers of exact gene sequences is often prohibitive. Degenerate codon (DC) libraries are a cost-effective alternative for generating combinatorial mutagenesis libraries where mutations are targeted to a handful of amino acid sites. However, existing computational methods to optimize DC libraries to include desired protein variants are not well suited to design libraries for ML-assisted protein engineering. To address these drawbacks, we present DEgenerate Codon Optimization for Informed Libraries (DeCOIL), a generalized method which directly optimizes DC libraries to be useful for protein engineering: to sample protein variants that are likely to have both high fitness and high diversity in the sequence search space. Using computational simulations and wet-lab experiments, we demonstrate that DeCOIL is effective across two specific case studies, with potential to be applied to many other use cases. DeCOIL offers several advantages over existing methods, as it is direct, easy-to-use, generalizable, and scalable. With accompanying software, DeCOIL can be readily implemented to generate desired informed libraries.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Leveraging Multitime Hamilton–Jacobi PDEs for Certain Scientific Machine Learning Problems

Hamilton-Jacobi partial differential equations (HJ PDEs) have deep connections with a wide range of fields, including optimal control, differential games, and imaging sciences. By considering the time variable to be a higher dimensional quantity, HJ PDEs can be extended to the multi-time case. In this paper, we establish a novel theoretical connection between specific optimization problems arising in machine learning and the multi-time Hopf formula, which corresponds to a representation of the solution to certain multi-time HJ PDEs. Through this connection, we increase the interpretability of the training process of certain machine learning applications by showing that when we solve these learning problems, we also solve a multi-time HJ PDE and, by extension, its corresponding optimal control problem. As a first exploration of this connection, we develop the relation between the regularized linear regression problem and the Linear Quadratic Regulator (LQR). We then leverage our theoretical connection to adapt standard LQR solvers (namely, those based on the Riccati ordinary differential equations) to design new training approaches for machine learning. Lastly, we provide some numerical examples that demonstrate the versatility and possible computational advantages of our Riccati-based approach in the context of continual learning, post-training calibration, transfer learning, and sparse dynamics identification.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Extreme-scale stochastic optimization and simulation via learning-enhanced decomposition and parallelization (Final Technical Report)

Stochastic optimization and simulation models ubiquitously arise in designing and operating complex service/engineering systems. They can be extreme in scale due to high-dimensional data and decisions, and can also involve decisions made sequentially in response to newly revealed data, both causing significant computational challenge. The objective of this research is to explore a unified framework that integrates machine learning with discrete optimization and risk-averse modeling, to improve the efficiency of decomposition paradigms for stochastic optimization and simulations at extreme scale. The models we consider represent a broad class of complex decision-making problems, where 0-1 or continuous decisions are made before and/or after knowing multiple sources of uncertainties that could be correlated. We will employ machine learning methods to dynamically decide and prioritize computational procedures, including cut generation, branching, and bounding of the optimal objective. Furthermore, the research will shed new lights on the traditional decomposition algorithms for extreme-scale computing. Deliverables of the research include new modeling and computational methods for advancing the state-of-the-art research in optimization and simulation, bringing many relevant risk-averse, data-driven optimization problems in practice within the range of tractability. Examples include distributed computing server scheduling and sensor deployment for monitoring critical infrastructures. Success in this effort will enable progress in solving multiple extreme-scale problems in the complex system design and operations arising from DoE missions in energy, environment, and national security.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

rlmolecule: A library for general-purpose material and molecular optimization using AlphaZero-style reinforcement learning

This library includes in-progress code for the optimization of materials and molecules using reinforcement learning. This project seeks to develop a generalized machine learning approach for optimizing targeted, and often complex, functional properties over the space of possible material structures, allowing faster identification of promising candidates. Electronic and transport properties of materials are determined by their molecular structure (for molecules) or their crystal structure (for in-organic crystalline materials). The atomic composition, bonding, and 3-D-spatial arrangement in these systems therefore represent a vast, discontinuous search space for optimal candidates. This library implements AlphaZero style reinforcement learning applied to two worked examples: the optimization of stable organic radicals for redox flow batteries, and the determination of stable electrolyte species for solid state batteries. The current code contains proof-of-concept results run on the Eagle HPC system, while the completed package will be a flexible tool for material optimization across of number of energy-relevant fields, which leverages cloud compute resources for the majority of the computational heavy lifting.

Biagioni, David↗

NASA NTRSDate not supplied

Transient Optimization of an Electrified Gas Turbine Engine Using Machine Learning

Gas turbine engines are designed with sufficient margin to prevent stall under normal operating conditions throughout their life. This compromise ensures that during rapid accelerations, compressor operation remains stable, but at the cost of efficiency and thrust responsiveness. The design margin encompasses multiple sources of uncertainty and systematic deviances from the operating line, the largest of which is the transient allowance. This set-aside accounts for the temporary incoordination of the engine spools during an acceleration while still enabling it to meet the certification requirement to accelerate from low to high power within a specified time, and without experiencing overtemperature, surge, stall, or other detrimental factors. Electrification of the powertrain provides the opportunity to address this reserve and truly optimize the design. The addition of electric machines inherent in hybrid propulsion concepts offers a means to interact with the engine shafts such that the necessary margin can be reduced, which can positively impact the engine design. By adjusting the amount of power extracted from or injected to the engine spools by the electric machines during transient operation, excursions from the operating line can be minimized. Past work using a dynamic engine model has shown that optimization of the fuel flow schedule during acceleration can reduce the required margin while still meeting the time requirement, and results are further improved when combined with power injection and extraction. The current work uses machine learning through a genetic algorithm to address the problem holistically by concurrently optimizing the electric machine power command and fuel flow acceleration schedule using an updated, higher fidelity version of the original engine model.

Stall Margin↗

NASA NTRSDate not supplied

Transient Optimization of an Electrified Gas Turbine Engine Using Machine Learning

Gas turbine engines are designed with sufficient margin to prevent stall under normal operating conditions throughout their life. This compromise ensures that during rapid accelerations, compressor operation remains stable, but at the cost of efficiency and thrust responsiveness. The design margin encompasses multiple sources of uncertainty and systematic deviances from the operating line, the largest of which is the transient allowance. This set-aside accounts for the temporary incoordination of the engine spools during an acceleration while still enabling it to meet the certification requirement to accelerate from low to high power within a specified time, and without experiencing overtemperature, surge, stall, or other detrimental factors. Electrification of the powertrain provides the opportunity to address this reserve and truly optimize the design. The addition of electric machines inherent in hybrid propulsion concepts offers a means to interact with the engine shafts such that the necessary margin can be reduced, which can positively impact the engine design. By adjusting the amount of power extracted from or injected to the engine spools by the electric machines during transient operation, excursions from the operating line can be minimized. Past work using a dynamic engine model has shown that optimization of the fuel flow schedule during acceleration can reduce the required margin while still meeting the time requirement, and results are further improved when combined with power injection and extraction. The current work uses machine learning through a genetic algorithm to address the problem holistically by concurrently optimizing the electric machine power command and fuel flow acceleration schedule using an updated, higher fidelity version of the original engine model.

Stall Margin↗

NASA NTRS2024

Transient Optimization of an Electrified Gas Turbine Engine Using Machine Learning

Gas turbine engines are designed with sufficient margin to prevent stall under normal operating conditions throughout their life. This compromise ensures that during rapid accelerations, compressor operation remains stable, but at the cost of efficiency and thrust responsiveness. The design margin encompasses multiple sources of uncertainty and systematic deviances from the operating line, the largest of which is the transient allowance. This set-aside accounts for the temporary incoordination of the engine spools during an acceleration while still enabling it to meet the certification requirement to accelerate from low to high power within a specified time, and without experiencing overtemperature, surge, stall, or other detrimental factors. Electrification of the powertrain provides the opportunity to address this reserve and truly optimize the design. The addition of electric machines inherent in hybrid propulsion concepts offers a means to interact with the engine shafts such that the necessary margin can be reduced, which can positively impact the engine design. By adjusting the amount of power extracted from or injected to the engine spools by the electric machines during transient operation, excursions from the operating line can be minimized. Past work using a dynamic engine model has shown that optimization of the fuel flow schedule during acceleration can reduce the required margin while still meeting the time requirement, and results are further improved when combined with power injection and extraction. The current work uses machine learning through a genetic algorithm to address the problem holistically by concurrently optimizing the electric machine power command and fuel flow acceleration schedule using an updated, higher fidelity version of the original engine model.

Stall Margin↗