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DOE OSTI2022

An adaptive stochastic sequential quadratic programming with differentiable exact augmented lagrangians

In this study, we consider solving nonlinear optimization problems with a stochastic objective and deterministic equality constraints. We assume for the objective that its evaluation, gradient, and Hessian are inaccessible, while one can compute their stochastic estimates by, for example, subsampling. We propose a stochastic algorithm based on sequential quadratic programming (SQP) that uses a differentiable exact augmented Lagrangian as the merit function. To motivate our algorithm design, we first revisit and simplify an old SQP method Lucidi developed for solving deterministic problems, which serves as the skeleton of our stochastic algorithm. Based on the simplified deterministic algorithm, we then propose a non-adaptive SQP for dealing with stochastic objective, where the gradient and Hessian are replaced by stochastic estimates but the stepsizes are deterministic and prespecified. Finally, we incorporate a recent stochastic line search procedure Paquette and Scheinberg into the non-adaptive stochastic SQP to adaptively select the random stepsizes, which leads to an adaptive stochastic SQP. The global "almost sure" convergence for both non-adaptive and adaptive SQP methods is established. Numerical experiments on nonlinear problems in CUTEst test set demonstrate the superiority of the adaptive algorithm.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Challenging excited states from adaptive quantum eigensolvers: subspace expansions vs. state-averaged strategies

The prediction of electronic structure for strongly correlated molecules represents a promising application for near-term quantum computers. Significant attention has been paid to ground state wavefunctions, but excited states of molecules are relatively unexplored. In this work, we consider the adaptive, problem-tailored (ADAPT)-variational quantum eigensolver (VQE) algorithm, a single-reference approach for obtaining ground states, and its state-averaged generalization for computing multiple states at once. We demonstrate for both rectangular and linear H4, as well as for BeH2, that this approach, which we call multistate-objective, Ritz-eigenspectral (MORE)-ADAPT-VQE, can make better use of small excitation manifolds than an analogous method based on a single-reference ADAPT-VQE calculation, q-sc-EOM. In particular, MORE-ADAPT-VQE is able to accurately describe both avoided crossings and crossings between states of different symmetries. In addition to more accurate excited state energies, MORE-ADAPT-VQE can recover accurate transition dipole moments in situations where traditional ADAPT-VQE and q-sc-EOM struggle. These improvements suggest a promising direction toward the use of quantum computers for difficult excited state problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

A Model-Reference Adaptive Direct-Power Control Scheme for Grid-Interactive Inverters

This paper develops an adaptive direct power control scheme for grid-interactive inverters while the control parameters are adaptively adjusted as the grid and filter parameters vary under different conditions. To demonstrate the efficacy and robustness of the adaptive operation, the performance of the adaptive controller is compared with a typical direct power controller by estimating the filter and grid impedances using a model reference parameter estimation technique with small signal injection. The simulation results verify that the developed methodology can track the reference power setpoints under output circuit parameter uncertainties while the typical design leads to instability. To improve the performance of the adaptive technique and eliminate the need for filter parameter estimation, a Lyapunov stability criterion-based model-reference adaptive direct power controller is designed to track the filter impedance. The developed method was tested using MATLAB/Simulink software to demonstrate the effectiveness of the proposed method. The results verify that adaptively tuning the control parameter can still maintain stable operation if the control gains are poorly selected while applying the classical method leads to abnormal operation or instability.

Gursoy, Mehmetcan↗

DOE OSTI2023

Adaptive language model training for molecular design

Abstract The vast size of chemical space necessitates computational approaches to automate and accelerate the design of molecular sequences to guide experimental efforts for drug discovery. Genetic algorithms provide a useful framework to incrementally generate molecules by applying mutations to known chemical structures. Recently, masked language models have been applied to automate the mutation process by leveraging large compound libraries to learn commonly occurring chemical sequences (i.e., using tokenization) and predict rearrangements (i.e., using mask prediction). Here, we consider how language models can be adapted to improve molecule generation for different optimization tasks. We use two different generation strategies for comparison, fixed and adaptive. The fixed strategy uses a pre-trained model to generate mutations; the adaptive strategy trains the language model on each new generation of molecules selected for target properties during optimization. Our results show that the adaptive strategy allows the language model to more closely fit the distribution of molecules in the population. Therefore, for enhanced fitness optimization, we suggest the use of the fixed strategy during an initial phase followed by the use of the adaptive strategy. We demonstrate the impact of adaptive training by searching for molecules that optimize both heuristic metrics, drug-likeness and synthesizability, as well as predicted protein binding affinity from a surrogate model. Our results show that the adaptive strategy provides a significant improvement in fitness optimization compared to the fixed pre-trained model, empowering the application of language models to molecular design tasks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Adaptive Phenotypic Plasticity Stabilizes Evolution in Fluctuating Environments

Fluctuating environmental conditions are ubiquitous in natural systems, and populations have evolved various strategies to cope with such fluctuations. The particular mechanisms that evolve profoundly influence subsequent evolutionary dynamics. One such mechanism is phenotypic plasticity, which is the ability of a single genotype to produce alternate phenotypes in an environmentally dependent context. Here, we use digital organisms (self-replicating computer programs) to investigate how adaptive phenotypic plasticity alters evolutionary dynamics and influences evolutionary outcomes in cyclically changing environments. Specifically, we examined the evolutionary histories of both plastic populations and non-plastic populations to ask: (1) Does adaptive plasticity promote or constrain evolutionary change? (2) Are plastic populations better able to evolve and then maintain novel traits? And (3), how does adaptive plasticity affect the potential for maladaptive alleles to accumulate in evolving genomes? We find that populations with adaptive phenotypic plasticity undergo less evolutionary change than non-plastic populations, which must rely on genetic variation from de novo mutations to continuously readapt to environmental fluctuations. Indeed, the non-plastic populations undergo more frequent selective sweeps and accumulate many more genetic changes. We find that the repeated selective sweeps in non-plastic populations drive the loss of beneficial traits and accumulation of maladaptive alleles, whereas phenotypic plasticity can stabilize populations against environmental fluctuations. This stabilization allows plastic populations to more easily retain novel adaptive traits than their non-plastic counterparts. In general, the evolution of adaptive phenotypic plasticity shifted evolutionary dynamics to be more similar to that of populations evolving in a static environment than to non-plastic populations evolving in an identical fluctuating environment. All natural environments subject populations to some form of change; our findings suggest that the stabilizing effect of phenotypic plasticity plays an important role in subsequent adaptive evolution.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Representing farmer irrigated crop area adaptation in a large-scale hydrological model

Abstract. Large-scale hydrological models (LHMs) are commonly used for regional and global assessment of future water shortage outcomes under climate and socioeconomic scenarios. The irrigation of croplands, which accounts for the lion's share of human water consumption, is critical in understanding these water shortage trajectories. Despite irrigation's defining role, LHM frameworks typically impose trajectories of land use that underlie irrigation demand, neglecting potential dynamic feedbacks in the form of human instigation of and subsequent adaptation to water shortages via irrigated crop area changes. We extend an LHM, MOSART-WM, with adaptive farmer agents, applying the model to the continental United States to explore water shortage outcomes that emerge from the interplay between hydrologic-driven surface water availability, reservoir management, and farmer irrigated crop area adaptation. The extended modeling framework is used to conduct a hypothetical computational experiment comparing differences between a model run with and without the incorporation of adaptive farmer agents. These comparative simulations reveal that accounting for farmer adaptation via irrigated crop area changes substantially alters modeled water shortage outcomes, with US-wide annual water shortages being reduced by as much as 42 % when comparing adaptive and non-adaptive versions of the model forced with US climatology from the period 1950–2009.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1973

A reduced adaptive observer for multivariable systems

An adaptive observer for multivariable systems is presented for which the dynamic order of the observer is reduced, subject to mild restrictions. The observer structure depends directly upon the multivariable structure of the system rather than a transformation to a single-output system. The number of adaptive gains is at most the sum of the order of the system and the number of input parameters being adapted. Moreover, for the relatively frequent specific cases for which the number of required adaptive gains is less than the sum of system order and input parameters, the number of these gains is easily determined by inspection of the system structure. This adaptive observer possesses all the properties ascribed to the single-input single-output adpative observer. Like the other adaptive observers some restriction is required of the allowable system command input to guarantee convergence of the adaptive algorithm, but the restriction is more lenient than that required by the full-order multivariable observer. This reduced observer is not restricted to cycle systems.

Carroll, R. L.↗

NASA NTRS1982

Adaptive control in the presence of unmodeled dynamics

Stability and robustness properties of a wide class of adaptive control algorithms in the presence of unmodeled dynamics and output disturbances were investigated. The class of adaptive algorithms considered are those commonly referred to as model reference adaptive control algorithms, self-tuning controllers, and dead beat adaptive controllers, developed for both continuous-time systems and discrete-time systems. A unified analytical approach was developed to examine the class of existing adaptive algorithms. It was discovered that all existing algorithms contain an infinite gain operator in the dynamic system that defines command reference errors and parameter errors; it is argued that such an infinite gain operator appears to be generic to all adaptive algorithms, whether they exhibit explicit or implicit parameter identification. It is concluded that none of the adaptive algorithms considered can be used with confidence in a practical control system design, because instability will set in with a high probability.

Rohrs, C. E.↗

NASA NTRS1985

Adaptive Inverse Control for Rotorcraft Vibration Reduction

This thesis extends the Least Mean Square (LMS) algorithm to solve the mult!ple-input, multiple-output problem of alleviating N/Rev (revolutions per minute by number of blades) helicopter fuselage vibration by means of adaptive inverse control. A frequency domain locally linear model is used to represent the transfer matrix relating the higher harmonic pitch control inputs to the harmonic vibration outputs to be controlled. By using the inverse matrix as the controller gain matrix, an adaptive inverse regulator is formed to alleviate the N/Rev vibration. The stability and rate of convergence properties of the extended LMS algorithm are discussed. It is shown that the stability ranges for the elements of the stability gain matrix are directly related to the eigenvalues of the vibration signal information matrix for the learning phase, but not for the control phase. The overall conclusion is that the LMS adaptive inverse control method can form a robust vibration control system, but will require some tuning of the input sensor gains, the stability gain matrix, and the amount of control relaxation to be used. The learning curve of the controller during the learning phase is shown to be quantitatively close to that predicted by averaging the learning curves of the normal modes. For higher order transfer matrices, a rough estimate of the inverse is needed to start the algorithm efficiently. The simulation results indicate that the factor which most influences LMS adaptive inverse control is the product of the control relaxation and the the stability gain matrix. A small stability gain matrix makes the controller less sensitive to relaxation selection, and permits faster and more stable vibration reduction, than by choosing the stability gain matrix large and the control relaxation term small. It is shown that the best selections of the stability gain matrix elements and the amount of control relaxation is basically a compromise between slow, stable convergence and fast convergence with increased possibility of unstable identification. In the simulation studies, the LMS adaptive inverse control algorithm is shown to be capable of adapting the inverse (controller) matrix to track changes in the flight conditions. The algorithm converges quickly for moderate disturbances, while taking longer for larger disturbances. Perfect knowledge of the inverse matrix is not required for good control of the N/Rev vibration. However it is shown that measurement noise will prevent the LMS adaptive inverse control technique from controlling the vibration, unless the signal averaging method presented is incorporated into the algorithm.

Jacklin, Stephen A.↗

NASA NTRS1988

Adaptive wall technology for minimization of wall interferences in transonic wind tunnels

Modern experimental techniques to improve free air simulations in transonic wind tunnels by use of adaptive wall technology are reviewed. Considered are the significant advantages of adaptive wall testing techniques with respect to wall interferences, Reynolds number, tunnel drive power, and flow quality. The application of these testing techniques relies on making the test section boundaries adjustable and using a rapid wall adjustment procedure. A historical overview shows how the disjointed development of these testing techniques, since 1938, is closely linked to available computer support. An overview of Adaptive Wall Test Section (AWTS) designs shows a preference for use of relatively simple designs with solid adaptive walls in 2- and 3-D testing. Operational aspects of AWTS's are discussed with regard to production type operation where adaptive wall adjustments need to be quick. Both 2- and 3-D data are presented to illustrate the quality of AWTS data over the transonic speed range. Adaptive wall technology is available for general use in 2-D testing, even in cryogenic wind tunnels. In 3-D testing, more refinement of the adaptive wall testing techniques is required before more widespread use can be planned.

Wolf, Stephen W. D.↗

NASA NTRS1987

Adaptive control of dual-arm robots

Three strategies for adaptive control of cooperative dual-arm robots are described. In the position-position control strategy, the adaptive controllers ensure that the end-effector positions of both arms track desired trajectories in Cartesian space despite unknown time-varying interaction forces exerted through the load. In the position-hybrid control strategy, the adaptive controller of one arm controls end-effector motions in the free directions and applied forces in the constraint directions, while the adaptive controller of the other arm ensures that the end-effector tracks desired position trajectories. In the hybrid-hybrid control strategy, the adaptive controllers ensure that both end-effectors track reference position trajectories while simultaneously applying desired forces on the load. In all three control strategies, the cross-coupling effects between the arms are treated as disturbances which are rejected by the adaptive controllers while following desired commands in a common frame of reference. The adaptive controllers do not require the complex mathematical model of the arm dynamics or any knowledge of the arm dynamic parameters or the load parameters such as mass and stiffness. The controllers have simple structures and are computationally fast for on-line implementation with high sampling rates.

Seraji, H.↗

NASA NTRS1993

Structured adaptive grid generation using algebraic methods

The accuracy of the numerical algorithm depends not only on the formal order of approximation but also on the distribution of grid points in the computational domain. Grid adaptation is a procedure which allows optimal grid redistribution as the solution progresses. It offers the prospect of accurate flow field simulations without the use of an excessively timely, computationally expensive, grid. Grid adaptive schemes are divided into two basic categories: differential and algebraic. The differential method is based on a variational approach where a function which contains a measure of grid smoothness, orthogonality and volume variation is minimized by using a variational principle. This approach provided a solid mathematical basis for the adaptive method, but the Euler-Lagrange equations must be solved in addition to the original governing equations. On the other hand, the algebraic method requires much less computational effort, but the grid may not be smooth. The algebraic techniques are based on devising an algorithm where the grid movement is governed by estimates of the local error in the numerical solution. This is achieved by requiring the points in the large error regions to attract other points and points in the low error region to repel other points. The development of a fast, efficient, and robust algebraic adaptive algorithm for structured flow simulation applications is presented. This development is accomplished in a three step process. The first step is to define an adaptive weighting mesh (distribution mesh) on the basis of the equidistribution law applied to the flow field solution. The second, and probably the most crucial step, is to redistribute grid points in the computational domain according to the aforementioned weighting mesh. The third and the last step is to reevaluate the flow property by an appropriate search/interpolate scheme at the new grid locations. The adaptive weighting mesh provides the information on the desired concentration of points to the grid redistribution scheme. The evaluation of the weighting mesh is accomplished by utilizing the weight function representing the solution variation and the equidistribution law. The selection of the weight function plays a key role in grid adaptation. A new weight function utilizing a properly weighted boolean sum of various flowfield characteristics is defined. The redistribution scheme is developed utilizing Non-Uniform Rational B-Splines (NURBS) representation. The application of NURBS representation results in a well distributed smooth grid by maintaining the fidelity of the geometry associated with boundary curves. Several algebraic methods are applied to smooth and/or nearly orthogonalize the grid lines. An elliptic solver is utilized to smooth the grid lines if there are grid crossings. Various computational examples of practical interest are presented to demonstrate the success of these methods.

Yang, Jiann-Cherng↗

NASA NTRS1993

Operator versus computer control of adaptive automation

Adaptive automation refers to real-time allocation of functions between the human operator and automated subsystems. The article reports the results of a series of experiments whose aim is to examine the effects of adaptive automation on operator performance during multi-task flight simulation, and to provide an empirical basis for evaluations of different forms of adaptive logic. The combined results of these studies suggest several things. First, it appears that either excessively long, or excessively short, adaptation cycles can limit the effectiveness of adaptive automation in enhancing operator performance of both primary flight and monitoring tasks. Second, occasional brief reversions to manual control can counter some of the monitoring inefficiency typically associated with long cycle automation, and further, that benefits of such reversions can be sustained for some time after return to automated control. Third, no evidence was found that the benefits of such reversions depend on the adaptive logic by which long-cycle adaptive switches are triggered.

Hilburn, Brian↗

NASA NTRS1995

Adaptive Finite Element Methods for Continuum Damage Modeling

The paper presents an application of adaptive finite element methods to the modeling of low-cycle continuum damage and life prediction of high-temperature components. The major objective is to provide automated and accurate modeling of damaged zones through adaptive mesh refinement and adaptive time-stepping methods. The damage modeling methodology is implemented in an usual way by embedding damage evolution in the transient nonlinear solution of elasto-viscoplastic deformation problems. This nonlinear boundary-value problem is discretized by adaptive finite element methods. The automated h-adaptive mesh refinements are driven by error indicators, based on selected principal variables in the problem (stresses, non-elastic strains, damage, etc.). In the time domain, adaptive time-stepping is used, combined with a predictor-corrector time marching algorithm. The time selection is controlled by required time accuracy. In order to take into account strong temperature dependency of material parameters, the nonlinear structural solution a coupled with thermal analyses (one-way coupling). Several test examples illustrate the importance and benefits of adaptive mesh refinements in accurate prediction of damage levels and failure time.

Min, J. B.↗

NASA NTRS1998

PLUM: Parallel Load Balancing for Unstructured Adaptive Meshes

Dynamic mesh adaption on unstructured grids is a powerful tool for computing large-scale problems that require grid modifications to efficiently resolve solution features. Unfortunately, an efficient parallel implementation is difficult to achieve, primarily due to the load imbalance created by the dynamically-changing nonuniform grid. To address this problem, we have developed PLUM, an automatic portable framework for performing adaptive large-scale numerical computations in a message-passing environment. First, we present an efficient parallel implementation of a tetrahedral mesh adaption scheme. Extremely promising parallel performance is achieved for various refinement and coarsening strategies on a realistic-sized domain. Next we describe PLUM, a novel method for dynamically balancing the processor workloads in adaptive grid computations. This research includes interfacing the parallel mesh adaption procedure based on actual flow solutions to a data remapping module, and incorporating an efficient parallel mesh repartitioner. A significant runtime improvement is achieved by observing that data movement for a refinement step should be performed after the edge-marking phase but before the actual subdivision. We also present optimal and heuristic remapping cost metrics that can accurately predict the total overhead for data redistribution. Several experiments are performed to verify the effectiveness of PLUM on sequences of dynamically adapted unstructured grids. Portability is demonstrated by presenting results on the two vastly different architectures of the SP2 and the Origin2OOO. Additionally, we evaluate the performance of five state-of-the-art partitioning algorithms that can be used within PLUM. It is shown that for certain classes of unsteady adaption, globally repartitioning the computational mesh produces higher quality results than diffusive repartitioning schemes. We also demonstrate that a coarse starting mesh produces high quality load balancing, at a fraction of the cost required a fine initial mesh. Results indicate that our parallel load balancing strategy will remain viable on large numbers of processors.

Oliker, Leonid↗

NASA NTRS2003

Failure of Anisotropic Unstructured Mesh Adaption Based on Multidimensional Residual Minimization

An automated anisotropic unstructured mesh adaptation strategy is proposed, implemented, and assessed for the discretization of viscous flows. The adaption criteria is based upon the minimization of the residual fluctuations of a multidimensional upwind viscous flow solver. For scalar advection, this adaption strategy has been shown to use fewer grid points than gradient based adaption, naturally aligning mesh edges with discontinuities and characteristic lines. The adaption utilizes a compact stencil and is local in scope, with four fundamental operations: point insertion, point deletion, edge swapping, and nodal displacement. Evaluation of the solution-adaptive strategy is performed for a two-dimensional blunt body laminar wind tunnel case at Mach 10. The results demonstrate that the strategy suffers from a lack of robustness, particularly with regard to alignment of the bow shock in the vicinity of the stagnation streamline. In general, constraining the adaption to such a degree as to maintain robustness results in negligible improvement to the solution. Because the present method fails to consistently or significantly improve the flow solution, it is rejected in favor of simple uniform mesh refinement.

Wood, William A.↗

NASA NTRS2004

Monitoring the Performance of a Neuro-Adaptive Controller

Traditional control has proven to be ineffective to deal with catastrophic changes or slow degradation of complex, highly nonlinear systems like aircraft or spacecraft, robotics, or flexible manufacturing systems. Control systems which can adapt toward changes in the plant have been proposed as they offer many advantages (e.g., better performance, controllability of aircraft despite of a damaged wing). In the last few years, use of neural networks in adaptive controllers (neuro-adaptive control) has been studied actively. Neural networks of various architectures have been used successfully for online learning adaptive controllers. In such a typical control architecture, the neural network receives as an input the current deviation between desired and actual plant behavior and, by on-line training, tries to minimize this discrepancy (e.g.; by producing a control augmentation signal). Even though neuro-adaptive controllers offer many advantages, they have not been used in mission- or safety-critical applications, because performance and safety guarantees cannot b e provided at development time-a major prerequisite for safety certification (e.g., by the FAA or NASA). Verification and Validation (V&V) of an adaptive controller requires the development of new analysis techniques which can demonstrate that the control system behaves safely under all operating conditions. Because of the requirement to adapt toward unforeseen changes during operation, i.e., in real time, design-time V&V is not sufficient.

Schumann, Johann↗

NASA NTRS1992

Habituation and adaptation of the vestibuloocular reflex: a model of differential control by the vestibulocerebellum

We habituated the dominant time constant of the horizontal vestibuloocular reflex (VOR) of rhesus and cynomolgus monkeys by repeated testing with steps of velocity about a vertical axis and adapted the gain of the VOR by altering visual input with magnifying and reducing lenses. After baseline values were established, the nodulus and ventral uvula of the vestibulocerebellum were ablated in two monkeys, and the effects of nodulouvulectomy and flocculectomy on VOR gain adaptation and habituation were compared. The VOR time constant decreased with repeated testing, rapidly at first and more slowly thereafter. The gain of the VOR was unaffected. Massed trials were more effective than distributed trials in producing habituation. Regardless of the schedule of testing, the VOR time constant never fell below the time constant of the semicircular canals (approximately 5 s). This finding indicates that only the slow component of the vestibular response, the component produced by velocity storage, was habituated. In agreement with this, the time constant of optokinetic after-nystagmus (OKAN) was habituated concurrently with the VOR. Average values for VOR habituation were obtained on a per session basis for six animals. The VOR gain was adapted by natural head movements in partially habituated monkeys while they wore x 2.2 magnifying or x 0.5 reducing lenses. Adaptation occurred rapidly and reached about +/- 30%, similar to values obtained using forced rotation. VOR gain adaptation did not cause additional habituation of the time constant. When the VOR gain was reduced in animals with a long VOR time constant, there were overshoots in eye velocity that peaked at about 6-8 s after the onset or end of constant-velocity rotation. These overshoots occurred at times when the velocity storage integrator would have been maximally activated by semicircular canal input. Since the activity generated in the canals is not altered by visual adaptation, this finding indicates that the gain element that controls rapid changes in eye velocity in the VOR is separate from that which couples afferent input to velocity storage. Nodulouvulectomy caused a prompt and permanent loss of habituation, returning VOR time constants to initial values. VOR gain adaptation, which is lost after flocculectomy, was unaffected by nodulouvulectomy. Flocculectomy did not alter habituation of the VOR or of OKAN. Using a simplified model of the VOR, the decrease in the duration of vestibular nystagmus due to habituation was related to a decrement in the dominant time constant of the velocity storage integrator (1/h0).(ABSTRACT TRUNCATED AT 400 WORDS).

NASA Discipline Neuroscience↗