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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 73 records · Page 4

Modeling the behavioral substrates of associate learning and memory - Adaptive neural models

Three adaptive single-neuron models based on neural analogies of behavior modification episodes are proposed, which attempt to bridge the gap between psychology and neurophysiology. The proposed models capture the predictive nature of Pavlovian conditioning, which is essential to the theory of adaptive/learning systems. The models learn to anticipate the occurrence of a conditioned response before the presence of a reinforcing stimulus when training is complete. Furthermore, each model can find the most nonredundant and earliest predictor of reinforcement. The behavior of the models accounts for several aspects of basic animal learning phenomena in Pavlovian conditioning beyond previous related models. Computer simulations show how well the models fit empirical data from various animal learning paradigms.

Lee, Chuen-Chien↗

Data exploration systems for databases

Data exploration systems apply machine learning techniques, multivariate statistical methods, information theory, and database theory to databases to identify significant relationships among the data and summarize information. The result of applying data exploration systems should be a better understanding of the structure of the data and a perspective of the data enabling an analyst to form hypotheses for interpreting the data. This paper argues that data exploration systems need a minimum amount of domain knowledge to guide both the statistical strategy and the interpretation of the resulting patterns discovered by these systems.

Greene, Richard J.↗

Hierarchical screening for Li-based solid electrolytes using fast, interpretable machine-learned potentials

Li-based solid-state electrolyte materials enable safer, all-solid-state batteries but the computational search for candidates with favorable stability and Li-ion conductivity is challenging due to the size of the search space and the cost of evaluating transport properties with ab initio methods. The prohibitive cost of high-throughput screening with DFT has lead to the development of surrogate models using geometric analysis, empirical potentials, and descriptors for ionic transport. Here, I will discuss a hierarchical screening approach for identifying promising materials using a combination of density functional theory, bond-valence methods, and machine learning potentials generated with the Ultra-Fast Force Fields (UF3) framework. We show how the inexpensive bond-valence method can be used to guide the generation of training samples for machine learning, in addition to filtering candidates. Finally, we apply the hierarchical workflow to screen for ionic conductivity across a database of Li-containing compounds.

Materials discovery↗

Hierarchical Screening for Li-Based Solid Electrolytes Using Fast, Interpretable Machine-Learned Potentials

Li-based solid-state electrolyte materials enable safer, all-solid-state batteries but the computational search for candidates with favorable stability and Li-ion conductivity is challenging due to the size of the search space and the cost of evaluating transport properties with ab initio methods. The prohibitive cost of high-throughput screening with DFT has lead to the development of surrogate models using geometric analysis, empirical potentials, and descriptors for ionic transport. Here, I will discuss a hierarchical screening approach for identifying promising materials using a combination of density functional theory, bond-valence methods, and machine learning potentials generated with the Ultra-Fast Force Fields (UF3) framework. We show how the inexpensive bond-valence method can be used to guide the generation of training samples for machine learning, in addition to filtering candidates.

Materials discovery↗

Perceptual learning through optimization of attentional weighting: human versus optimal Bayesian learner

Human performance in visual detection, discrimination, identification, and search tasks typically improves with practice. Psychophysical studies suggest that perceptual learning is mediated by an enhancement in the coding of the signal, and physiological studies suggest that it might be related to the plasticity in the weighting or selection of sensory units coding task relevant information (learning through attention optimization). We propose an experimental paradigm (optimal perceptual learning paradigm) to systematically study the dynamics of perceptual learning in humans by allowing comparisons to that of an optimal Bayesian algorithm and a number of suboptimal learning models. We measured improvement in human localization (eight-alternative forced-choice with feedback) performance of a target randomly sampled from four elongated Gaussian targets with different orientations and polarities and kept as a target for a block of four trials. The results suggest that the human perceptual learning can occur within a lapse of four trials (<1 min) but that human learning is slower and incomplete with respect to the optimal algorithm (23.3% reduction in human efficiency from the 1st-to-4th learning trials). The greatest improvement in human performance, occurring from the 1st-to-2nd learning trial, was also present in the optimal observer, and, thus reflects a property inherent to the visual task and not a property particular to the human perceptual learning mechanism. One notable source of human inefficiency is that, unlike the ideal observer, human learning relies more heavily on previous decisions than on the provided feedback, resulting in no human learning on trials following a previous incorrect localization decision. Finally, the proposed theory and paradigm provide a flexible framework for future studies to evaluate the optimality of human learning of other visual cues and/or sensory modalities.

Non-NASA Center↗

Intelligent control based on fuzzy logic and neural net theory

In the conception and design of intelligent systems, one promising direction involves the use of fuzzy logic and neural network theory to enhance such systems' capability to learn from experience and adapt to changes in an environment of uncertainty and imprecision. Here, an intelligent control scheme is explored by integrating these multidisciplinary techniques. A self-learning system is proposed as an intelligent controller for dynamical processes, employing a control policy which evolves and improves automatically. One key component of the intelligent system is a fuzzy logic-based system which emulates human decision making behavior. It is shown that the system can solve a fairly difficult control learning problem. Simulation results demonstrate that improved learning performance can be achieved in relation to previously described systems employing bang-bang control. The proposed system is relatively insensitive to variations in the parameters of the system environment.

Lee, Chuen-Chien↗

Data Mining at NASA: From Theory to Applications

This slide presentation demonstrates the data mining/machine learning capabilities of NASA Ames and Intelligent Data Understanding (IDU) group. This will encompass the work done recently in the group by various group members. The IDU group develops novel algorithms to detect, classify, and predict events in large data streams for scientific and engineering systems. This presentation for Knowledge Discovery and Data Mining 2009 is to demonstrate the data mining/machine learning capabilities of NASA Ames and IDU group. This will encompass the work done re cently in the group by various group members.

Srivastava, Ashok N.↗

Contrasting Size Distributions of Chondrules and Inclusions in Allende CV3

There are several leading theories on the processes that led to the formation of chondrites, e.g., sorting by mass, by X-winds, turbulent concentration, and by photophoresis. The juxtaposition of refractory inclusions (CAIs) and less refractory chondrules is central to these theories and there is much to be learned from their relative size distributions. There have been a number of studies into size distributions of particles in chondrites but only on relatively small scales primarily for chondrules, and rarely for both Calcium Aluminum-rich Inclusions (CAIs) and chondrules in the same sample. We have implemented macro-scale (25 cm diameter sample) and high-resolution microscale sampling of the Allende CV3 chondrite to create a complete data set of size frequencies for CAIs and chondrules.

Fisher, Kent R.↗

Analytical learning and term-rewriting systems

Analytical learning is a set of machine learning techniques for revising the representation of a theory based on a small set of examples of that theory. When the representation of the theory is correct and complete but perhaps inefficient, an important objective of such analysis is to improve the computational efficiency of the representation. Several algorithms with this purpose have been suggested, most of which are closely tied to a first order logical language and are variants of goal regression, such as the familiar explanation based generalization (EBG) procedure. But because predicate calculus is a poor representation for some domains, these learning algorithms are extended to apply to other computational models. It is shown that the goal regression technique applies to a large family of programming languages, all based on a kind of term rewriting system. Included in this family are three language families of importance to artificial intelligence: logic programming, such as Prolog; lambda calculus, such as LISP; and combinatorial based languages, such as FP. A new analytical learning algorithm, AL-2, is exhibited that learns from success but is otherwise quite different from EBG. These results suggest that term rewriting systems are a good framework for analytical learning research in general, and that further research should be directed toward developing new techniques.

Laird, Philip↗

Lattice Duality: The Origin of Probability and Entropy

Bayesian probability theory is an inference calculus, which originates from a generalization of inclusion on the Boolean lattice of logical assertions to a degree of inclusion represented by a real number. Dual to this lattice is the distributive lattice of questions constructed from the ordered set of down-sets of assertions, which forms the foundation of the calculus of inquiry-a generalization of information theory. In this paper we introduce this novel perspective on these spaces in which machine learning is performed and discuss the relationship between these results and several proposed generalizations of information theory in the literature.

Knuth, Kevin H.↗

Learning classification trees

Algorithms for learning classification trees have had successes in artificial intelligence and statistics over many years. How a tree learning algorithm can be derived from Bayesian decision theory is outlined. This introduces Bayesian techniques for splitting, smoothing, and tree averaging. The splitting rule turns out to be similar to Quinlan's information gain splitting rule, while smoothing and averaging replace pruning. Comparative experiments with reimplementations of a minimum encoding approach, Quinlan's C4 and Breiman et al. Cart show the full Bayesian algorithm is consistently as good, or more accurate than these other approaches though at a computational price.

Buntine, Wray↗

A materials-informatics based study of solid electrolytes and protective coatings for Li batteries

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes and protective coatings simultaneously possessing high ionic conductivity and wide electrochemical stability has proven to be a challenge. Here, we present a data-driven approach to explore the Li compound space for promising solid electrolytes and coatings. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds by computing Li+ migration barriers using bond-valence-based pair potentials, and stability windows using density functional theory energies. Using this database, we implement machine learning models that can accurately predict migration barriers and electrochemical stability windows for any new Li compound. Through feature engineering, we ensure that our models are both accurate and interpretable. We perform feature importance analysis on our models to highlight materials properties that can be tuned for future design of coatings/electrolytes. Our database and informatics approach provide a valuable tool for the rapid discovery of new solid-state battery chemistries.

Solid state batteries↗

Machine Learning the COSMO Model for Predicting Thermodynamics of Electrolyte Mixtures

Bottom-up design of electrolyte mixtures for battery systems requires predicting macro thermodynamic properties from molecular constituents. For instance, molten salt electrolyte batteries require conditions far above room temperature to operate. Therefore, discovering mixtures with increasingly lower eutectic melting points is desirable. A model that can approximate chemical activity is a valuable tool to search through the vast compositional design space. Machine learning can predict properties of materials such as vibrational free energies, electronic energy gaps, and thermal conductivities. Moreover, they can learn physical models such as interatomic potentials. The COSMO-SAC model uses theory and empirical parameterization to predict liquid-vapor and liquid-solid properties using first-principles calculations. However, obtaining activity coefficients required for parameterizing the COSMO-SAC model is costly and limited to a select chemical space. In this work, we explored if machine learning methods could improve the COSMO-SAC model and bridge density functional theory calculations to liquid phase thermodynamic properties. Our data-driven approach uses existing databases for sigma-profiles of organic solvents and reconciles their methodological differences via ensemble averaging. First, an optimal machine learning model is constructed for each dataset. Our machine learning algorithms use the sigma-profile as an input feature to predict binary mixtures' activity coefficients using multi-output regression. Each dataset uses different choices of functionals, methods, and basis sets. Therefore, our ensemble model attempts to predict corrected activity coefficients given the combination of all the model outputs. The activity coefficients used for training are generated using the COSMO-SAC model. This approach enables the extraction of meaningful information from the existing datasets to improve the COSMO-SAC model for obtaining thermodynamic properties of electrolyte mixtures. With the liquid phase activities, we can identify electrolyte mixtures that meet desired phase equilibria conditions.

Thermodynamics↗

Recent developments in learning control and system identification for robots and structures

This paper reviews recent results in learning control and learning system identification, with particular emphasis on discrete-time formulation, and their relation to adaptive theory. Related continuous-time results are also discussed. Among the topics presented are proportional, derivative, and integral learning controllers, time-domain formulation of discrete learning algorithms. Newly developed techniques are described including the concept of the repetition domain, and the repetition domain formulation of learning control by linear feedback, model reference learning control, indirect learning control with parameter estimation, as well as related basic concepts, recursive and non-recursive methods for learning identification.

Phan, M.↗

Neural controller for adaptive movements with unforeseen payloads

A theory and computer simulation of a neural controller that learns to move and position a link carrying an unforeseen payload accurately are presented. The neural controller learns adaptive dynamic control from its own experience. It does not use information about link mass, link length, or direction of gravity, and it uses only indirect uncalibrated information about payload and actuator limits. Its average positioning accuracy across a large range of payloads after learning is 3 percent of the positioning range. This neural controller can be used as a basis for coordinating any number of sensory inputs with limbs of any number of joints. The feedforward nature of control allows parallel implementation in real time across multiple joints.

Kuperstein, Michael↗

Product Distribution Theory for Control of Multi-Agent Systems

Product Distribution (PD) theory is a new framework for controlling Multi-Agent Systems (MAS's). First we review one motivation of PD theory, as the information-theoretic extension of conventional full-rationality game theory to the case of bounded rational agents. In this extension the equilibrium of the game is the optimizer of a Lagrangian of the (probability distribution of) the joint stare of the agents. Accordingly we can consider a team game in which the shared utility is a performance measure of the behavior of the MAS. For such a scenario the game is at equilibrium - the Lagrangian is optimized - when the joint distribution of the agents optimizes the system's expected performance. One common way to find that equilibrium is to have each agent run a reinforcement learning algorithm. Here we investigate the alternative of exploiting PD theory to run gradient descent on the Lagrangian. We present computer experiments validating some of the predictions of PD theory for how best to do that gradient descent. We also demonstrate how PD theory can improve performance even when we are not allowed to rerun the MAS from different initial conditions, a requirement implicit in some previous work.

Lee, Chia Fan↗