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DOE OSTI2026

Algorithm-guided experimentation for autonomous AI systems in self-driving laboratories

This presentation summarizes our work in the PrOMMiS project on benchmarking of data-driven optimization algorithms and their applications in self-driving laboratories. This work supports the broader project goal of accelerating the identification of promising separation methods and operating conditions for critical minerals separation processes. We present a systematic benchmarking study of 42 data-driven optimization algorithms on a broad collection of 502 test problems. The results identify BAM, GLCCLUSTER, and MULTIMIN as the most effective optimization solvers, with BAM showing the highest overall performance and solving more than 80% of the benchmark problems. The study also shows that no single solver consistently outperforms the others across all problem types, indicating that our future laboratory applications may benefit from using a small set of strong solvers rather than relying on a single method. The presentation also illustrates an in-silico chemical reactor case study showing that data-driven optimization methods can guide autonomous experimentation in a self-driving laboratory and identify optimal operating conditions within a small number of experiments. Overall, the results provide a basis for selecting efficient optimization methods and demonstrate the practical use of data-driven optimization in self-driving laboratory workflows.

36 MATERIALS SCIENCE↗

NASA NTRS1980

NASA aviation safety reporting system

Knowledge of limitations of the Air Traffic Control system in conflict avoidance capabilities is discussed. Assumptions and expectations held by by airmen regarding the capabilities of the system are presented. Limitations related to communication are described and problems associated with visual approaches, airspace configurations, and airport layouts are discussed. A number of pilot and controller reports illustrative of three typical problem types: occurrences involving pilots who have limited experience; reports describing inflight calls for assistance; and flights in which pilots have declined to use available radar services are presented. Examples of Alert Bulletins and the FAA responses to them are included.

Source record↗

NASA NTRS1980

The operational use of Landsat for lake quality assessment

A cooperative program between the Wisconsin Department of Natural Resources and the University of Wisconsin for the assessment, with Landsat data, of the trophic status of all the significant inland lakes in Wisconsin is described. The analysis technique is a semiautomatic data acquisition and handling system which, in conjunction with an analytical categorization scheme, can be used for classifying inland lakes into one of seven categories of eutrophication and one of four problem types.

Scarpace, F. L.↗

NASA NTRS1985

Using NASTRAN to model missile inertia loads

An important use of NASTRAN is in the area of structural loads analysis on weapon systems carried aboard aircraft. The program is used to predict bending moments and shears in missile bodies, when subjected to aircraft induced accelerations. The missile, launcher and aircraft wing are idealized, using rod and beam type elements for solution economy. Using the inertia relief capability of NASTRAN, the model is subjected to various acceleration combinations. It is found to be difficult to model the launcher sway braces and hooks which transmit compression only or tension only type forces respectively. A simple, iterative process was developed to overcome this modeling difficulty. A proposed code modification would help model compression or tension only contact type problems.

Marvin, R.↗

NASA NTRS1986

Statistical methodologies for the control of dynamic remapping

Following an initial mapping of a problem onto a multiprocessor machine or computer network, system performance often deteriorates with time. In order to maintain high performance, it may be necessary to remap the problem. The decision to remap must take into account measurements of performance deterioration, the cost of remapping, and the estimated benefits achieved by remapping. We examine the tradeoff between the costs and the benefits of remapping two qualitatively different kinds of problems. One problem assumes that performance deteriorates gradually, the other assumes that performance deteriorates suddenly. We consider a variety of policies for governing when to remap. In order to evaluate these policies, statistical models of problem behaviors are developed. Simulation results are presented which compare simple policies with computationally expensive optimal decision policies; these results demonstrate that for each problem type, the proposed simple policies are effective and robust.

Saltz, J. H.↗

NASA NTRS1987

Fronts propagating with curvature dependent speed: Algorithms based on Hamilton-Jacobi formulations

New numerical algorithms are devised (PSC algorithms) for following fronts propagating with curvature-dependent speed. The speed may be an arbitrary function of curvature, and the front can also be passively advected by an underlying flow. These algorithms approximate the equations of motion, which resemble Hamilton-Jacobi equations with parabolic right-hand-sides, by using techniques from the hyperbolic conservation laws. Non-oscillatory schemes of various orders of accuracy are used to solve the equations, providing methods that accurately capture the formation of sharp gradients and cusps in the moving fronts. The algorithms handle topological merging and breaking naturally, work in any number of space dimensions, and do not require that the moving surface be written as a function. The methods can be used also for more general Hamilton-Jacobi-type problems. The algorithms are demonstrated by computing the solution to a variety of surface motion problems.

Osher, Stanley↗

NASA NTRS1987

Supercomputing of supersonic flows using upwind relaxation and MacCormack schemes

The performance of two numerical solution schemes, (1) an implicit upwind relaxation with a finite-volume discretization (Thomas and Walters, 1985) and (2) an explicit-implicit MacCormack (1981) scheme with a finite-difference discretization, is compared in two-dimensional simulations of supersonic flow past a flat plate with leading edge, a rearward-facing step, a 10-deg compression corner, a NACA 0012 airfoil at high angle of attack, and a cavity. The algebraic turbulence model, the solution methods, and the boundary conditions and SIMD coding are explained, and the results are presented in tables and graphs and characterized with reference to published experimental data. Scheme (1) is found to converge more rapidly and to give more accurate results than (2) in a wide range of problem types.

Baysal, O.↗

NASA NTRS1988

Investigating a hybrid perturbation-Galerkin technique using computer algebra

A two-step hybrid perturbation-Galerkin method is presented for the solution of a variety of differential equations type problems which involve a scalar parameter. The resulting (approximate) solution has the form of a sum where each term consists of the product of two functions. The first function is a function of the independent field variable(s) x, and the second is a function of the parameter lambda. In step one the functions of x are determined by forming a perturbation expansion in lambda. In step two the functions of lambda are determined through the use of the classical Bubnov-Gelerkin method. The resulting hybrid method has the potential of overcoming some of the drawbacks of the perturbation and Bubnov-Galerkin methods applied separately, while combining some of the good features of each. In particular, the results can be useful well beyond the radius of convergence associated with the perturbation expansion. The hybrid method is applied with the aid of computer algebra to a simple two-point boundary value problem where the radius of convergence is finite and to a quantum eigenvalue problem where the radius of convergence is zero. For both problems the hybrid method apparently converges for an infinite range of the parameter lambda. The results obtained from the hybrid method are compared with approximate solutions obtained by other methods, and the applicability of the hybrid method to broader problem areas is discussed.

Andersen, Carl M.↗

NASA NTRS1987

Three-dimensional inelastic analysis for hot section components, BEST 3D code

The goal is the development of an alternative stress analysis tool, distinct from the finite element method, applicable to the engineering analysis of gas turbine engine structures. The boundary element method was selected for this development effort on the basis of its already demonstrated applicability to a variety of geometries and problem types characteristic of gas turbine engine components. Major features of the BEST3D computer program are described, and some of the significant developments carried out as part of the Inelastic Methods Contract are outlined.

Wilson, Raymond B.↗

NASA NTRS1989

A hybrid-perturbation-Galerkin technique which combines multiple expansions

A two-step hybrid perturbation-Galerkin method for the solution of a variety of differential equations type problems is found to give better results when multiple perturbation expansions are employed. The method assumes that there is parameter in the problem formulation and that a perturbation method can be sued to construct one or more expansions in this perturbation coefficient functions multiplied by computed amplitudes. In step one, regular and/or singular perturbation methods are used to determine the perturbation coefficient functions. The results of step one are in the form of one or more expansions each expressed as a sum of perturbation coefficient functions multiplied by a priori known gauge functions. In step two the classical Bubnov-Galerkin method uses the perturbation coefficient functions computed in step one to determine a set of amplitudes which replace and improve upon the gauge functions. The hybrid method has the potential of overcoming some of the drawbacks of the perturbation and Galerkin methods as applied separately, while combining some of their better features. The proposed method is applied, with two perturbation expansions in each case, to a variety of model ordinary differential equations problems including: a family of linear two-boundary-value problems, a nonlinear two-point boundary-value problem, a quantum mechanical eigenvalue problem and a nonlinear free oscillation problem. The results obtained from the hybrid methods are compared with approximate solutions obtained by other methods, and the applicability of the hybrid method to broader problem areas is discussed.

Geer, James F.↗

NASA NTRS1988

Feasibility of vibration monitoring of small rotating machines for the environmental control and life support systems (ECLSS) of the NASA advanced space craft

The application of vibration monitoring to the rotating machinery typical of ECLSS components in advanced NASA spacecraft was studied. It is found that the weighted summation of the accelerometer power spectrum is the most successful detection scheme for a majority of problem types. Other detection schemes studied included high-frequency demodulation, cepstrum, clustering, and amplitude processing.

Milner, G. Martin↗

NASA NTRS1988

The Galerkin/least-squares method for advective-diffusive equations

Galerkin/least-squares finite-element methods are presented for advective-diffusive equations. Galerkin/least-squares represents a conceptual simplification of streamline-upwind Petrov-Galerkin methods, and is in fact applicable to a wide variety of other problem types. A convergence analysis and error estimates are presented. Some numerical results for compressible Navier-Stokes flows are presented.

Hughes, T. J. R.↗

NASA NTRS1990

A hybrid perturbation-Galerkin technique that combines multiple expansions

A two-step hybrid perturbation-Galerkin method for the solution of a variety of differential equations type problems is found to give better results when multiple perturbation expansions are employed. The method assumes that there is parameter in the problem formulation and that a perturbation method can be used to construct one or more expansions in this perturbation coefficient functions multiplied by computed amplitudes. In step one, regular and/or singular perturbation methods are used to determine the perturbation coefficient functions. The results of step one are in the form of one or more expansions each expressed as a sum of perturbation coefficient functions multiplied by a priori known gauge functions. In step two the classical Bubnov-Galerkin method uses the perturbation coefficient functions computed in step one to determine a set of amplitudes which replace and improve upon the gauge functions. The hybrid method has the potential of overcoming some of the drawbacks of the perturbation and Galerkin methods as applied separately, while combining some of their better features. The proposed method is applied, with two perturbation expansions in each case, to a variety of model ordinary differential equations problems including: a family of linear two-boundary-value problems, a nonlinear two-point boundary-value problem, a quantum mechanical eigenvalue problem and a nonlinear free oscillation problem. The results obtained from the hybrid methods are compared with approximate solutions obtained by other methods, and the applicability of the hybrid method to broader problem areas is discussed.

Geer, James F.↗

NASA NTRS1989

Systolic array processing of the sequential decoding algorithm

A systolic array processing technique is applied to implementing the stack algorithm form of the sequential decoding algorithm. It is shown that sorting, a key function in the stack algorithm, can be efficiently realized by a special type of systolic arrays known as systolic priority queues. Compared to the stack-bucket algorithm, this approach is shown to have the advantages that the decoding always moves along the optimal path, that it has a fast and constant decoding speed and that its simple and regular hardware architecture is suitable for VLSI implementation. Three types of systolic priority queues are discussed: random access scheme, shift register scheme and ripple register scheme. The property of the entries stored in the systolic priority queue is also investigated. The results are applicable to many other basic sorting type problems.

Chang, C. Y.↗

NASA NTRS1991

Seal development activities at Allison Turbine Division

Brush seals are being evaluated for potential near and far term gas turbine engine applications. Development is in the form of rig component testing and engine testing. Allison has tested an engine with 20 individual brush seal positions. These seals were located throughout the engine. The emphasis of the current work is on obtaining long term performance data for brush seals. Very little of this data is available. Allison is presently developing film riding face seal technology to support future gas turbine engine applications. A face seal with an approximate 7 inch diameter was successfully tested to 1000 F, 100 psid, and 650 ft/sec. Seal leakage remained below 1 scfm throughout the duration of the test. A model for the compressible gas film was developed which separates the model for the compressible gas film was developed which separates the primary seal rings during operation. This model is based on the traditional Reynold's approach which is customarily applied to lubrication type problems. Because of the difficulty of experimentally verifying the program predictions, a commercial Navier-Stokes code was used in parallel. By comparing predictions for similar cases, it is expected that the limitations of the Reynold's model can be assessed as it applies to this particular seal.

Munson, John↗

NASA NTRS1991

Effect of nose shape on three-dimensional stagnation region streamlines and heating rates

A new method for calculating the three-dimensional inviscid surface streamlines and streamline metrics using Cartesian coordinates and time as the independent variable of integration has been developed. The technique calculates the streamline from a specified point on the body to a point near the stagnation point by using a prescribed pressure distribution in the Euler equations. The differential equations, which are singular at the stagnation point, are of the two point boundary value problem type. Laminar heating rates are calculated using the axisymmetric analog concept for three-dimensional boundary layers and approximate solutions to the axisymmetric boundary layer equations. Results for elliptic conic forebody geometries show that location of the point of maximum heating depends on the type of conic in the plane of symmetry and the angle of attack, and that this location is in general different from the stagnation point. The new method was found to give smooth predictions of heat transfer in the nose region where previous methods gave oscillatory results.

Hassan, Basil↗

NASA NTRS1993

Origin of the Apollo 15 very low Ti green glass. A perspective from the compositional diversity in the very low Ti glasses

The very low Ti green glasses from the Apollo 15 site have intrigued scientists for over 20 years. Their primitive composition has been used to understand magmatic processes and the structure of the moon. The compositional variability observed in the Apollo 15 glass population has long been a point of debate. Initial studies did not recognize the compositional diversity in the glasses. Stolper et al. documented the major element variability and concluded it could not be produced by magmatic processes and therefore concluded that these glasses must be of impact origin. Subsequent studies confirmed a volcanic origin for the glass population and attempted to elucidate magmatic processes to account for its compositional variability. Models that have been proposed for these glasses include the following: (1) the crystallization of single or multiple phases (olivine, pyroxene, Fe metal, immiscible sulfide); (2) the incompatible behavior of Ni and Co during multiple phase crystallization at extremely low fO2; and (3) magma or source mixing. All of these models have problems. Type (1) models appear not to be consistent with recent trace element studies on the glasses; model (2) is dependent on the debatable incompatible behavior of Ni and Co, and, in models of type (3), the origin and nature of mixing models are somewhat unconstrained. This study compares the Apollo 15 green glasses with the very low Ti picritic glasses from other landing sites.

Shearer, C. K.↗

NASA NTRS1993

Control of nonlinear systems represented in quasilinear form

Methods to synthesize controllers for nonlinear systems are developed by exploiting the fact that under mild differentiability conditions, systems of the form: x-dot = f(x) + G(x)u can be represented in quasilinear form, viz: x-dot = A(x)x + B(x)u. Two classes of control methods are investigated. The first is zero-look-ahead control, where the control input depends only on the current values of A(x) and B(x). For this case the control input is computed by continuously solving a matrix Riccati equation as the system progresses along a trajectory. The second is controllers with look-ahead, where the control input depends on the future behavior of A(x) and B(x). These controllers use the similarity between quasilinear systems and linear time varying systems to find approximate solutions to optimal control type problems. The methods that are developed are not guaranteed to be globally stable. However in simulation studies they were found to be useful alternatives for synthesizing control laws for a general class of nonlinear systems.

Coetsee, Josef A.↗