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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Memristor design rules for dynamic learning and edge processing applications

The ability to dynamically learn and adapt to changes in the environment is one of the hallmarks of biological systems. In this work, we identify the subset of the design space of memristive materials that is optimal for dynamic learning applications. Using an architecture inspired on the learning center of the insect brain, we implement a model system consisting of a discrete implementation of spiking neurons where dynamic learning takes place on a set of plastic synapses formed by memristor pairs in a crossbar array. Using two separate benchmarks, one comprising the dynamic learning of the Modified National Institute of Standards and Technology dataset and another one targeting one shot learning, we have identified the key properties that memristive materials should have to be optimal dynamic learners. The results obtained show that a fine degree of control of the memristor internal state is key to achieve high classification accuracy during dynamic learning but that within this optimal region learning is extremely robust both to device variability and to errors in the writing of the internal state, in all cases allowing for 2 sigma variations greater than 40% without significant loss of accuracy, hence overcoming two of the perceived limitations of memristors. By additionally requiring that learning takes place concurrently to information processing, we are able to derive a set constraints to the memristor dynamics.

36 MATERIALS SCIENCE↗

Recovering missing CFD data for high-order discretizations using deep neural networks and dynamics learning

Data I/O poses a significant bottleneck in large-scale CFD simulations; thus, practitioners would like to significantly reduce the number of times the solution is saved to disk, yet retain the ability to recover any field quantity (at any time instance) a posteriori . The objective of this work is therefore to accurately recover missing CFD data a posteriori at any time instance, given that the solution has been written to disk at only a relatively small number of time instances. We consider in particular high-order discretizations (e.g., discontinuous Galerkin), as such techniques are becoming increasingly popular for the simulation of highly separated flows. To satisfy this objective, this work proposes a methodology consisting of two stages: 1) dimensionality reduction and 2) dynamics learning. For dimensionality reduction, we propose a novel hierarchical approach. First, the method reduces the number of degrees of freedom within each element of the high-order discretization by applying autoencoders from deep learning. Second, the methodology applies principal component analysis to compress the global vector of encodings. This leads to a low-dimensional state, which associates with a nonlinear embedding of the original CFD data. For dynamics learning, we propose to apply regression techniques (e.g., kernel methods) to learn the discrete-time velocity characterizing the time evolution of this low-dimensional state. In conclusion, a numerical example on a large-scale CFD example characterized by nearly 13 million degrees of freedom illustrates the suitability of the proposed method in an industrial setting.

97 MATHEMATICS AND COMPUTING↗

Learning dynamical systems from data: An introduction to physics-guided deep learning

Modeling complex physical dynamics is a fundamental task in science and engineering. Traditional physics-based models are first-principled, explainable, and sample-efficient. However, they often rely on strong modeling assumptions and expensive numerical integration, requiring significant computational resources and domain expertise. While deep learning (DL) provides efficient alternatives for modeling complex dynamics, they require a large amount of labeled training data. Furthermore, its predictions may disobey the governing physical laws and are difficult to interpret. Physics-guided DL aims to integrate first-principled physical knowledge into data-driven methods. It has the best of both worlds and is well equipped to better solve scientific problems. Recently, this field has gained great progress and has drawn considerable interest across discipline Here, we introduce the framework of physics-guided DL with a special emphasis on learning dynamical systems. We describe the learning pipeline and categorize state-of-the-art methods under this framework. We also offer our perspectives on the open challenges and emerging opportunities.

97 MATHEMATICS AND COMPUTING↗

Unraveling the impact of initial choices and in-loop interventions on learning dynamics in autonomous scanning probe microscopy

The current focus in Autonomous Experimentation (AE) is on developing robust workflows to conduct the AE effectively. This entails the need for well-defined approaches to guide the AE process, including strategies for hyperparameter tuning and high-level human interventions within the workflow loop. This paper presents a comprehensive analysis of the influence of initial experimental conditions and in-loop interventions on the learning dynamics of Deep Kernel Learning (DKL) within the realm of AE in scanning probe microscopy. We explore the concept of the “seed effect,” where the initial experiment setup has a substantial impact on the subsequent learning trajectory. Additionally, we introduce an approach of the seed point interventions in AE allowing the operator to influence the exploration process. Using a dataset from Piezoresponse Force Microscopy on PbTiO 3 thin films, we illustrate the impact of the “seed effect” and in-loop seed interventions on the effectiveness of DKL in predicting material properties. The study highlights the importance of initial choices and adaptive interventions in optimizing learning rates and enhancing the efficiency of automated material characterization. This work offers valuable insights into designing more robust and effective AE workflows in microscopy with potential applications across various characterization techniques.

47 OTHER INSTRUMENTATION↗

Bio-Inspired Neural Model for Learning Dynamic Models

A neural-network mathematical model that, relative to prior such models, places greater emphasis on some of the temporal aspects of real neural physical processes, has been proposed as a basis for massively parallel, distributed algorithms that learn dynamic models of possibly complex external processes by means of learning rules that are local in space and time. The algorithms could be made to perform such functions as recognition and prediction of words in speech and of objects depicted in video images. The approach embodied in this model is said to be "hardware-friendly" in the following sense: The algorithms would be amenable to execution by special-purpose computers implemented as very-large-scale integrated (VLSI) circuits that would operate at relatively high speeds and low power demands.

Duong, Tuan↗

Physics-assisted Latent Space Dynamics Learning for Stiff Collisional-radiative Models

Collisional-radiative (CR) models describe the atomic processes in a plasma by tracking the population density in the ground and excited states for each charge state of the atom/ion. These models predict important plasma properties such as charge state distributions and radiative emissivity and opacity. Accurate descriptions of the CR balance of the plasma are essential in fusion whole device modeling, especially when significant impurities are introduced into the plasmas. In an integrated fusion plasma and CR simulation, a CR model, which is a high-dimensional stiff ODE, needs to be solved on each grid point in the configuration space, and can overwhelm the overall computational cost. In this work, we propose a machine-learning-based method that discovers a latent space and learns its corresponding latent dynamics, which can capture the essential physics to make accurate predictions at much lower online computational cost. The proposed approach is physics-assisted, due to its combination of a physical latent space and a data-driven latent space. It has been demonstrated that the proposed architecture can predict both the full-order CR dynamics and a physical quantity of interest accurately.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nonlocal Flocking Dynamics: Learning the Fractional Order of PDEs from Particle Simulations

Flocking refers to collective behavior of a large number of interacting entities, where the interactions between discrete individuals produce collective motion on the large scale. We employ an agent-based model to describe the microscopic dynamics of each individual in a flock, and use a fractional partial differential equation (fPDE) to model the evolution of macroscopic quantities of interest. The macroscopic models with phenomenological interaction functions are derived by applying the continuum hypothesis to the microscopic model. Instead of specifying the fPDEs with an ad hoc fractional order for nonlocal flocking dynamics, we learn the effective nonlocal influence function in fPDEs directly from particle trajectories generated by the agent-based simulations. We demonstrate how the learning framework is used to connect the discrete agent-based model to the continuum fPDEs in one- and two-dimensional nonlocal flocking dynamics. In particular, a Cucker–Smale particle model is employed to describe the microscale dynamics of each individual, while Euler equations with nonlocal interaction terms are used to compute the evolution of macroscale quantities. The trajectories generated by the particle simulations mimic the field data of tracking logs that can be obtained experimentally. They can be used to learn the fractional order of the influence function using a Gaussian process regression model implemented with the Bayesian optimization. We show in one- and two-dimensional benchmarks that the numerical solution of the learned Euler equations solved by the finite volume scheme can yield correct density distributions consistent with the collective behavior of the agent-based system solved by the particle method. Furthermore, the proposed method offers new insights into how to scale the discrete agent-based models to the continuum-based PDE models, and could serve as a paradigm on extracting effective governing equations for nonlocal flocking dynamics directly from particle trajectories.

97 MATHEMATICS AND COMPUTING↗

Dynamic Learning of Correlation Potentials for a Time-Dependent Kohn-Sham System

We develop methods to learn the correlation potential for a time-dependent Kohn-Sham (TDKS) system in one spatial dimension. We start from a low-dimensional two-electron system for which we can numerically solve the time-dependent Schr¨odinger equation; this yields electron densities suitable for training models of the correlation potential. We frame the learning problem as one of optimizing a least-squares objective subject to the constraint that the dynamics obey the TDKS equation. Applying adjoints, we develop efficient methods to compute gradients and thereby learn models of the correlation potential. Our results show that it is possible to learn values of the correlation potential such that the resulting electron densities match ground truth densities. We also show how to learn correlation potential functionals with memory, demonstrating one such model that yields reasonable results for trajectories outside the training set.

97 MATHEMATICS AND COMPUTING↗

Dynamically Learning Incentives for Load Control

As electrical generation becomes more distributed and volatile, and loads become more uncertain, controllability of distributed energy resources (DERs), regardless of their ownership status, will be necessary for grid reliability. Grid operators lack direct control over end-users' grid interactions, such as energy usage, but incentives can influence behavior -- for example, an end-user that receives a grid-driven incentive may adjust their consumption or expose relevant control variables in response. A key challenge in studying such incentives is the lack of data about human behavior, which usually motivates strong assumptions, such as distributional assumptions on compliance or rational utility-maximization. In this paper, we propose a general incentive mechanism in the form of a constrained optimization problem -- our approach is distinguished from prior work by modeling human behavior (e.g., reactions to an incentive) as an arbitrary unknown function. We propose feedback-based optimization algorithms to solve this problem that each leverage different amounts of information and/or measurements. We show that each converges to an asymptotically stable incentive with (near)-optimality guarantees given mild assumptions on the problem. Finally, we evaluate our proposed techniques in voltage regulation simulations on standard test beds. We test a variety of settings, including those that break assumptions required for theoretical convergence (e.g., convexity, smoothness) to capture realistic settings. In this evaluation, our proposed algorithms are able to find near-optimal incentives even when the reaction to an incentive is modeled by a theoretically difficult (yet realistic) function.

demand response↗

Impact of classical statistics on thermal conductivity predictions of BAs and diamond using machine learning molecular dynamics

Machine learning interatomic potentials (MLIPs) have greatly enhanced molecular dynamics (MD) simulations, achieving near-first-principles accuracy in thermal conductivity studies. In this work, we reveal that this accuracy, observed in BAs and diamond at sub-Debye temperatures, stems from an accidental error cancelation: classical statistics overestimates specific heat while underestimating phonon lifetimes, balancing out in thermal conductivity predictions. However, this balance is disrupted when isotopes are introduced, leading MLIP-based MD to significantly underpredict thermal conductivity compared to experiments and quantum statistics-based Boltzmann transport equation. This discrepancy arises not from classical statistics affecting phonon–isotope scattering rates but from its impact on the interplay between phonon–isotope and phonon–phonon scattering in the normal scattering-dominated BAs and diamond. In conclusion, this work underscores the limitations of MLIP-based MD for thermal conductivity studies at sub-Debye temperatures.

36 MATERIALS SCIENCE↗

Deep Learning-Based Dynamic Modeling of Three-Phase Voltage Source Inverters

Inverter-based resource (IBR) models are necessary to analyze modern power system stability and create effective control strategies. Modeling IBRs in converter-rich power systems is crucial, yet challenging due to the lack of commercial information on converter topologies and control parameters. This paper proposes novel convolutional neural network (CNN)–based data-driven techniques for modeling IBRs, addressing adaptability and proprietary concerns without requiring internal system physics knowledge. The proposed method is tested using real grid-tied commercial IBR transient data and demonstrates effectiveness and accuracy. Furthermore, the developed modeling approach is integrated and implemented in the open-source power distribution simulation and analysis tool, GridLAB-D, to illustrate the potentiality of dynamic analysis of large-scale power systems with high IBRs.

deep learning, artificial intelligence↗

Learning stochastic dynamics and predicting emergent behavior using transformers

We show that a neural network originally designed for language processing can learn the dynamical rules of a stochastic system by observation of a single dynamical trajectory of the system, and can accurately predict its emergent behavior under conditions not observed during training. We consider a lattice model of active matter undergoing continuous-time Monte Carlo dynamics, simulated at a density at which its steady state comprises small, dispersed clusters. We train a neural network called a transformer on a single trajectory of the model. The transformer, which we show has the capacity to represent dynamical rules that are numerous and nonlocal, learns that the dynamics of this model consists of a small number of processes. Forward-propagated trajectories of the trained transformer, at densities not encountered during training, exhibit motility-induced phase separation and so predict the existence of a nonequilibrium phase transition. Transformers have the flexibility to learn dynamical rules from observation without explicit enumeration of rates or coarse-graining of configuration space, and so the procedure used here can be applied to a wide range of physical systems, including those with large and complex dynamical generators.

97 MATHEMATICS AND COMPUTING↗

Robust Learning of Dynamic Interactions for Enhancing Power System Resilience (Final Scientific Report)

The overall goal of the project is to leverage robust graphical learning and phase measurement unit (PMU) data to learn the dynamic interactions of electrical grid components in order to improve the power system resilience. Specifically, the learned dynamic interaction graphs are utilized to detect known and unknown anomalous patterns in power systems, identify high-risk operational conditions, and enable risk-based cascading mitigation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Machine Learning for Dynamical Modeling of a Flexible Inverted Pendulum System

The inverted pendulum system, a canonical example of an unstable mechanical system, is often used to model the control problems encountered in the flight of rockets in the initial stages of launch, when the airspeed is too small for aerodynamic stability. A system with a flexible pendulum is a variant that more accurately simulates rocket flight nonlinearities (particularly, the flex modes of the rocket). To increase NASA capability of modeling dynamical systems for which closed form solutions are not clear or easily developed, this project aims to provide a machine learning approach that produces a learned dynamical model of the PENNY robot (a rover with a flexible inverted pendulum) from operational data. The developed approach can then be generalized to other complex dynamical systems, including but not limited to rockets and other robotic systems.

M. A. DuPuis↗