Search NASA⌕ Search

SEARCH · Search NASA

Results for “classical optimizers”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantum Annealing for Real-World Machine Learning Applications

Optimizing the training of a machine learning pipeline is important for reducing training costs and improving model performance. One such optimizing strategy is quantum annealing, which is an emerging computing paradigm that has shown potential in optimizing the training of a machine learning model. The implementation of a physical quantum annealer has been realized by D-Wave systems and is available to the research community for experiments. Recent experimental results on a variety of machine learning applications have shown interesting results especially under the conditions where the performance of classical machine learning techniques are limited such as limited training data and high dimensional features. This chapter explores the application of D-Wave’s quantum annealer for optimizing machine learning pipelines for real-world classification problems. We review the application domains on which a physical quantum annealer has been used to train machine learning classifiers. We discuss and analyze the experiments performed on the D-Wave quantum annealer for applications such as image recognition, remote sensing imagery, security, computational biology, biomedical sciences, and physics. We discuss the possible advantages and the problems for which quantum annealing is likely to be advantageous over classical computation.

Kumar nath, Rajdeep↗
DOE OSTI2024

Integrating quantum computing resources into scientific HPC ecosystems

Quantum Computing (QC) offers significant potential to enhance scientific discovery in fields such as quantum chemistry, optimization, and artificial intelligence. Yet QC faces challenges due to the noisy intermediate-scale quantum era’s inherent external noise issues. Here, this paper discusses the integration of QC as a computational accelerator within classical scientific high-performance computing (HPC) systems. By leveraging a broad spectrum of simulators and hardware technologies, we propose a hardware-agnostic framework for augmenting classical HPC with QC capabilities. Drawing on the HPC expertise of the Oak Ridge National Laboratory (ORNL) and the HPC lifecycle management of the Department of Energy (DOE), our approach focuses on the strategic incorporation of QC capabilities and acceleration into existing scientific HPC workflows. This includes detailed analyses, benchmarks, and code optimization driven by the needs of the DOE and ORNL missions. Our comprehensive framework integrates hardware, software, workflows, and user interfaces to foster a synergistic environment for quantum and classical computing research. This paper outlines plans to unlock new computational possibilities, driving forward scientific inquiry and innovation in a wide array of research domains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

Complete exchange on the iPSC-860

The implementation of complete exchange on the circuit switched Intel iPSC-860 hypercube is described. This pattern, also known as all-to-all personalized communication, is the densest requirement that can be imposed on a network. On the iPSC-860, care needs to be taken to avoid edge contention, which can have a disastrous impact on communication time. There are basically two classes of algorithms that achieve contention-free complete exchange. The first contains the classical standard exchange algorithm that is generally useful for small message sizes. The second includes a number of optimal or near-optimal algorithms that are best for large messages. Measurement of communication overhead on the iPSC-860 are given and a notation for analyzing communication link usage is developed. It is shown that for the two classes of algorithms, there is substantial variation in performance with synchronization technique and choice of message protocol. Timings of six implementations are given; each of these is useful over a particular range of message size and cube dimension. Since the complete exchange is a superset of communication patterns, these timings represent upper bounds on the time required by an arbitrary communication requirement. These results indicate that the programmer needs to evaluate several possibilities before finalizing an implementation - a careful choice can lead to very significant savings in time.

Bokhari, Shahid H.↗
NASA NTRS1991

Experimental validation of docking and capture using space robotics testbeds

This presentation describes the application of robotic and computer vision systems to validate docking and capture operations for space cargo transfer vehicles. Three applications are discussed: (1) air bearing systems in two dimensions that yield high quality free-flying, flexible, and contact dynamics; (2) validation of docking mechanisms with misalignment and target dynamics; and (3) computer vision technology for target location and real-time tracking. All the testbeds are supported by a network of engineering workstations for dynamic and controls analyses. Dynamic simulation of multibody rigid and elastic systems are performed with the TREETOPS code. MATRIXx/System-Build and PRO-MATLAB/Simulab are the tools for control design and analysis using classical and modern techniques such as H-infinity and LQG/LTR. SANDY is a general design tool to optimize numerically a multivariable robust compensator with a user-defined structure. Mathematica and Macsyma are used to derive symbolically dynamic and kinematic equations.

Spofford, John↗
NASA NTRS2000

Inviscid Design of Hypersonic Wind Tunnel Nozzles for a Real Gas

A straightforward procedure has been developed to quickly determine an inviscid design of a hypersonic wind tunnel nozzle when the test crash is both calorically and thermally imperfect. This real gas procedure divides the nozzle into four distinct parts: subsonic, throat to conical, conical, and turning flow regions. The design process is greatly simplified by treating the imperfect gas effects only in the source flow region. This simplification can be justified for a large class of hypersonic wind tunnel nozzle design problems. The final nozzle design is obtained either by doing a classical boundary layer correction or by using this inviscid design as the starting point for a viscous design optimization based on computational fluid dynamics. An example of a real gas nozzle design is used to illustrate the method. The accuracy of the real gas design procedure is shown to compare favorably with an ideal gas design based on computed flow field solutions.

Korte, J. J.↗
NASA NTRS1996

Sharp Infrared Eyes The Journey of QWIPs from Concept to Large Inexpensive Sensitive Arrays in Hand-held Infrared Cameras

One of the simplest device realizations of the classic particle-in-a-box problem of basic quantum mechanics is the Quantum Well Infrared Photodetector (QWIP). Optimization of the detector design and material growth and processing has culminated in the realization of a camera with a large (256x256 pixel) focal plane array of QWIPs which can see at 8.5 mu m, holding forth great promise for a variety of applications in the 6-25 mu m wavelength range.

Quantum Well Infrared Photodetector QWIP quantum m↗
NASA NTRS2019

Quantum Gate-Model Approaches to Exact and Approximate Optimization

Many of the most challenging computational problems arising in practical applications are tackled by heuristic algorithms which have not been rigorously proven to outperform other approaches but rather have been empirically demonstrated to be effective. While quantum heuristics have been proposed since the early days of quantum computing, true empirical evaluation of the real-world performance of these algorithms is only becoming possible now as increasingly powerful quantum gate-model devices continue to come online.In this talk, I will give an overview of the NASA QuAIL team's ongoing investigation into quantum gate-model heuristic algorithms for exact and approximate optimization. In particular, we consider the performance of the Quantum Approximate Optimization Algorithm on NP-hard optimization problems, and describe algorithm parameter setting strategies for real-world quantum hardware. We then show a generalization of QAOA circuits, the Quantum Alternating Operator Ansatz, especially suitable for low-resource implementations of QAOA for problems with hard (feasibility) constraints. The talk will conclude with a discussion of research challenges, particularly for optimization and sampling applications of QAOA, and the potential of more general quantum heuristics to give advantages over classical computers.

Hadfield, Stuart↗
NASA NTRS1996

Long Wavelength Quantum Well Infrared Photodetector (QWIP) Research at Jet Propulsion Laboratory

One of the simplest device realizations of the classic particle-in-the-box problem of basic quantum mechanics is the Quantum Well Infrared Photodetector (QWIP). Optimization of the detector design and material growth and processing has culminated in the realization of a 15 ??utoff 128x128 focal plane array camera and a camera with large (256x256 pixel) focal plane array of QWIPs which can see at 8.5 ??holding forth great promise for a variety of applications in the 6-25 ??avelength range. This paper discusses the physics of the QWIP and QWIP technology development at Jet Propulsion Laboratory

QWIP↗
NASA NTRS1984

The structural optimization of a spreader bar for twin lift helicopter operations

An optimization study was performed to develop a minimum weight spreader bar to allow two helicopters to lift the same payload. With this arrangement, the maximum payload that can be lifted is almost doubled without the expense of designing and building a new helicopter. The concept has had some limited use by civil helicopter operators using small helicopters and has been demonstrated in large scale by two CH-54's which successfully lifted a total load of 20 ton. To this point, rather heavy available beams or tower structures have been used for the spreader bar. Since the weight of the bar not only detracts from payload but also adds to the logistics problem, there are more than the usual incentives to minimize weight. Since the design requirement is for classic beam column with uniform side loads resulting from bar weight and aerodynamic drag, the design problem is particularly amenable to optimization. A study has been performed at Sikorsky to establish the minimum weight for a spreader bar sized to carry a load equal to the capacity of two Army BLACK HAWK helicopters. Toward this end, a computer program was written to analyze the spreader bar deflections and stresses and coupled to the NASA developed CONMIN optimization routines.

Dobyns, A.↗
DOE OSTI2026

Hierarchical Reinforcement Learning of a Short-Range Bond-Order Potential for Silica: Analytic Embedding of Coordination with Classical Efficiency

Reinforcement learning (RL) has recently emerged as a data-efficient strategy to parametrize short-range interatomic potentials. Building on our past RL optimization of pairwise silica models, we extend the framework to a bond-order (Tersoff-type) potential that provides an analytic embedding of local coordination through a three-body term. A hierarchical RL workflow combining continuous-action Monte Carlo Tree Search and property-based rewards efficiently explores the 26-dimensional parameter space, sequentially optimizing lattice parameters, densities, angles, and cohesive energies of 21 silica polymorphs. The resulting models, Q-Tersoff and ML-Tersoff, reproduce the energetic ordering of low-energy phases and capture the angular correlations and amorphous structure factors of silica with improved fidelity over pairwise force fields, while remaining orders of magnitude faster than high-dimensional machine-learned potentials. Both models underperform for elastic constants and high-energy frameworks, delineating the limits of the current analytic form. The approach establishes a general and interpretable route to angle-aware, short-range potentials that bridge physics-based and machine-learned descriptions of silicate materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Absence of Barren Plateaus and Scaling of Gradients in the Energy Optimization of Isometric Tensor Network States

Abstract Vanishing gradients can pose substantial obstacles for high-dimensional optimization problems. Here we consider energy minimization problems for quantum many-body systems with extensive Hamiltonians and finite-range interactions, which can be studied on classical computers or in the form of variational quantum eigensolvers on quantum computers. Barren plateaus correspond to scenarios where the average amplitude of the energy gradient decreases exponentially with increasing system size. This occurs, for example, for quantum neural networks and for brickwall quantum circuits when the depth increases polynomially in the system size. Here we prove that the variational optimization problems for matrix product states, tree tensor networks, and the multiscale entanglement renormalization ansatz are free of barren plateaus. The derived scaling properties for the gradient variance provide an analytical guarantee for the trainability of randomly initialized tensor network states (TNS) and motivate certain initialization schemes. In a suitable representation, unitary tensors that parametrize the TNS are sampled according to the uniform Haar measure. We employ a Riemannian formulation of the gradient based optimizations which simplifies the analytical evaluation.

Barthel, Thomas↗
DOE OSTI2025

Classical Preoptimization Approach for ADAPT-VQE: Maximizing the Potential of High-Performance Computing Resources to Improve Quantum Simulation of Chemical Applications

The ADAPT-VQE algorithm is a promising method for generating a compact ansatz based on derivatives of the underlying cost function, and it yields accurate predictions of electronic energies for molecules. In this work, we report the implementation and performance of ADAPT-VQE with our recently developed sparse wave function circuit solver (SWCS) in terms of accuracy and efficiency for molecular systems with up to 52 spin orbitals. The SWCS can be tuned to balance computational cost and accuracy, which extends the application of ADAPT-VQE for molecular electronic structure calculations to larger basis sets and a larger number of qubits. Using this tunable feature of the SWCS, we propose an alternative optimization procedure for ADAPT-VQE to reduce the computational cost of the optimization. Furthermore, by preoptimizing a quantum simulation with a parametrized ansatz generated with ADAPT-VQE/SWCS, we aim to utilize the power of classical high-performance computing in order to minimize the work required on noisy intermediate-scale quantum hardware, which offers a promising path toward demonstrating quantum advantage for chemical applications.

ADAPT-VQE↗
DOE OSTI2025

Integrating Analytical Solutions and U-Net Model for Predicting Groundwater Contaminant Plumes in Pump-and-Treat Systems

Pump-and-treat (P&T) is a common technique for groundwater remediation involving the extraction and treatment of contaminated water above ground. Optimizing the design and operation of the P&T well network is essential for maximizing the system’s effectiveness and efficiency. However, this optimization often necessitates many model evaluations, leading to computationally demanding tasks. This study introduces a novel approach that integrates analytical solutions for groundwater dynamics with the U-Net (Ronneberger et al., 2015) deep learning framework to predict groundwater contaminant plume migration under dynamic pumping conditions. By incorporating the Thiem equation (Thiem, 1906) into the input preprocessing, the U-Net model transforms sparse well data into a continuous spatial field that captures the hydraulic impacts of pumping activities. This integration enables the model to leverage both deep learning capabilities and classical physics-based groundwater theories, enhancing prediction accuracy and computational efficiency. These advancements can facilitate rapid, large-scale evaluations of P&T optimization simulations, allowing for timely and effective decision-making in well placement and system management. We demonstrate the model's robust performance across both simplified transient 2D models and a more complex 3D heterogeneous site model at the 200 West P&T facility at the Hanford Site. The U-Net-based model offers substantial computational advantages, reducing simulation times significantly compared to full physics-based models and providing a powerful tool for rapid site evaluation and P&T system optimization, such as evaluating alternative P&T well network designs. Our findings highlight the potential of advanced machine learning models to significantly enhance the efficiency and sustainability of groundwater remediation efforts, offering a novel application of U-Net architecture in environmental science.

Pump-and-treat↗
DOE OSTI2024

Artificial-intelligence-driven shot reduction in quantum measurement

Variational Quantum Eigensolver (VQE) provides a powerful solution for approximating molecular ground state energies by combining quantum circuits and classical computers. However, estimating probabilistic outcomes on quantum hardware requires repeated measurements (shots), incurring significant costs as accuracy increases. Optimizing shot allocation is thus critical for improving the efficiency of VQE. Current strategies rely heavily on hand-crafted heuristics requiring extensive expert knowledge. This paper proposes a reinforcement learning (RL)-based approach that automatically learns shot assignment policies to minimize total measurement shots while achieving convergence to the minimum of the energy expectation in VQE. The RL agent assigns measurement shots across VQE optimization iterations based on the progress of the optimization. This approach reduces VQE's dependence on static heuristics and human expertise. When the RL-enabled VQE is applied to a small molecule, a shot reduction policy is learned. The policy demonstrates transferability across systems and compatibility with other wavefunction Ansätze. In addition to these specific findings, this work highlights the potential of RL for automatically discovering efficient and scalable quantum optimization strategies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Efficient state preparation for the Schwinger model with a theta term

We present a comparison of different quantum state preparation algorithms and their overall efficiency for the Schwinger model with a theta term. While adiabatic state preparation is proved to be effective, in practice it leads to large gate counts to prepare the ground state. The quantum approximate optimization algorithm (QAOA) provides excellent results while keeping the counts small by design, at the cost of an expensive classical minimization process. We introduce a “blocked” modification of the Schwinger Hamiltonian to be used in the QAOA that further decreases the length of the algorithms as the size of the problem is increased. The rodeo algorithm (RA) provides a powerful tool to efficiently prepare any eigenstate of the Hamiltonian, as long as its overlap with the initial guess is large enough. We obtain the best results when combining the blocked QAOA ansatz and the RA, as this provides an excellent initial state with a relatively short algorithm without the need to perform any classical steps for large problem sizes. Published by the American Physical Society 2025

Bazavov, Alexei (ORCID:0000000321411901)↗
NASA NTRS2011

Sparse Solutions for Single Class SVMs: A Bi-Criterion Approach

In this paper we propose an innovative learning algorithm - a variation of One-class nu Support Vector Machines (SVMs) learning algorithm to produce sparser solutions with much reduced computational complexities. The proposed technique returns an approximate solution, nearly as good as the solution set obtained by the classical approach, by minimizing the original risk function along with a regularization term. We introduce a bi-criterion optimization that helps guide the search towards the optimal set in much reduced time. The outcome of the proposed learning technique was compared with the benchmark one-class Support Vector machines algorithm which more often leads to solutions with redundant support vectors. Through out the analysis, the problem size for both optimization routines was kept consistent. We have tested the proposed algorithm on a variety of data sources under different conditions to demonstrate the effectiveness. In all cases the proposed algorithm closely preserves the accuracy of standard one-class nu SVMs while reducing both training time and test time by several factors.

Das, Santanu↗
NASA NTRS1989

Integrated control-system design via generalized LQG (GLQG) theory

Thirty years of control systems research has produced an enormous body of theoretical results in feedback synthesis. Yet such results see relatively little practical application, and there remains an unsettling gap between classical single-loop techniques (Nyquist, Bode, root locus, pole placement) and modern multivariable approaches (LQG and H infinity theory). Large scale, complex systems, such as high performance aircraft and flexible space structures, now demand efficient, reliable design of multivariable feedback controllers which optimally tradeoff performance against modeling accuracy, bandwidth, sensor noise, actuator power, and control law complexity. A methodology is described which encompasses numerous practical design constraints within a single unified formulation. The approach, which is based upon coupled systems or modified Riccati and Lyapunov equations, encompasses time-domain linear-quadratic-Gaussian theory and frequency-domain H theory, as well as classical objectives such as gain and phase margin via the Nyquist circle criterion. In addition, this approach encompasses the optimal projection approach to reduced-order controller design. The current status of the overall theory will be reviewed including both continuous-time and discrete-time (sampled-data) formulations.

Bernstein, Dennis S.↗