Identifying divertor detachment using a machine learning model trained on divertor camera images from DIII-D
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Physics - Plasma physics↗
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Results for “machine learning, neural networks”
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Locomotion training of legged robots using hybrid machine learning techniques
In this study artificial neural networks and fuzzy logic are used to control the jumping behavior of a three-link uniped robot. The biped locomotion control problem is an increment of the uniped locomotion control. Study of legged locomotion dynamics indicates that a hierarchical controller is required to control the behavior of a legged robot. A structured control strategy is suggested which includes navigator, motion planner, biped coordinator and uniped controllers. A three-link uniped robot simulation is developed to be used as the plant. Neurocontrollers were trained both online and offline. In the case of on-line training, a reinforcement learning technique was used to train the neurocontroller to make the robot jump to a specified height. After several hundred iterations of training, the plant output achieved an accuracy of 7.4%. However, when jump distance and body angular momentum were also included in the control objectives, training time became impractically long. In the case of off-line training, a three-layered backpropagation (BP) network was first used with three inputs, three outputs and 15 to 40 hidden nodes. Pre-generated data were presented to the network with a learning rate as low as 0.003 in order to reach convergence. The low learning rate required for convergence resulted in a very slow training process which took weeks to learn 460 examples. After training, performance of the neurocontroller was rather poor. Consequently, the BP network was replaced by a Cerebeller Model Articulation Controller (CMAC) network. Subsequent experiments described in this document show that the CMAC network is more suitable to the solution of uniped locomotion control problems in terms of both learning efficiency and performance. A new approach is introduced in this report, viz., a self-organizing multiagent cerebeller model for fuzzy-neural control of uniped locomotion is suggested to improve training efficiency. This is currently being evaluated for a possible patent by NASA, Johnson Space Center. An alternative modular approach is also developed which uses separate controllers for each stage of the running stride. A self-organizing fuzzy-neural controller controls the height, distance and angular momentum of the stride. A CMAC-based controller controls the movement of the leg from the time the foot leaves the ground to the time of landing. Because the leg joints are controlled at each time step during flight, movement is smooth and obstacles can be avoided. Initial results indicate that this approach can yield fast, accurate results.
Simon, William E.↗
Machine learning moment closure models for the radiative transfer equation I: Directly learning a gradient based closure
In this paper, we take a data-driven approach and apply machine learning to the moment closure problem for the radiative transfer equation in slab geometry. Instead of learning the unclosed high order moment, we propose to directly learn the gradient of the high order moment using neural networks. This new approach is consistent with the exact closure we derive for the free streaming limit and also provides a natural output normalization. Finally, a variety of benchmark tests, including the variable scattering problem, the Gaussian source problem with both periodic and reflecting boundaries, and the two-material problem, show both good accuracy and generalizability of our machine learning closure model.
Computer science↗
Supporting Responsible Machine Learning in Heliophysics
Over the last decade, Heliophysics researchers have increasingly adopted a variety of machine learning methods such as artificial neural networks, decision trees, and clustering algorithms into their workflow. Adoption of these advanced data science methods had quickly outpaced institutional response, but many professional organizations such as the European Commission, the National Aeronautics and Space Administration (NASA), and the American Geophysical Union have now issued (or will soon issue) standards for artificial intelligence and machine learning that will impact scientific research. These standards add further (necessary) burdens on the individual researcher who must now prepare the public release of data and code in addition to traditional paper writing. Support for these is not reflected in the current state of institutional support, community practices, or governance systems. We examine here some of these principles and how our institutions and community can promote their successful adoption within the Heliophysics discipline.
Machine learning↗
Stopping criteria for ending autonomous, single detector radiological source searches
While the localization of radiological sources has traditionally been handled with statistical algorithms, such a task can be augmented with advanced machine learning methodologies. The combination of deep and reinforcement learning has provided learning-based navigation to autonomous, single-detector, mobile systems. However, these approaches lacked the capacity to terminate a surveying/search task without outside influence of an operator or perfect knowledge of source location (defeating the purpose of such a system). Two stopping criteria are investigated in this work for a machine learning navigated system: one based upon Bayesian and maximum likelihood estimation (MLE) strategies commonly used in source localization, and a second providing the navigational machine learning network with a “stop search” action. A convolutional neural network was trained via reinforcement learning in a 10 m × 10 m simulated environment to navigate a randomly placed detector-agent to a randomly placed source of varied strength (stopping with perfect knowledge during training). The network agent could move in one of four directions (up, down, left, right) after taking a 1 s count measurement at the current location. During testing, the stopping criteria for this navigational algorithm was based upon a Bayesian likelihood estimation technique of source presence, updating this likelihood after each step, and terminating once the confidence of the source being in a single location exceeded 0.9. A second network was trained and tested with similar architecture as the previous but which contained a fifth action: for self-stopping. The accuracy and speed of localization with set detector and source initializations were compared over 50 trials of MLE-Bayesian approach and 1000 trials of the CNN with self-stopping. The statistical stopping condition yielded a median localization error of ~1.41 m and median localization speed of 12 steps. The machine learning stopping condition yielded a median localization error of 0 m and median localization speed of 17 steps. This work demonstrated two stopping criteria available to a machine learning guided, source localization system.
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
Exploration of Domain Aware Machine Learning for Grid Analytics: Transfer-Learnt Energy Models to Assist Buildings Control with Sparse Field Data
Buildings are a primary consumer of energy in the United States and are also increasingly being perceived as providers of grid services such as load shifting, shedding and modulation. High fidelity models of building energy consumption are needed to set appropriate baselines for measurement and verification (M&V) of controllers designed for energy efficient operation of buildings and to enable buildings to provide grid services via. participation in demand response programs. State-of-the-art building energy modeling techniques either rely on Physics based models, or extensive instrumentation of the building envelope to gather “big” data to train machine learning based models such as deep neural networks. While Physics based models are often limited by their accuracy, it is not always feasible to gather a significant amount of field data required to train machine learning based models with sufficient accuracy. In this paper, we explore the use of transfer learning-based strategies to address unsatisfactory accuracy of models for estimating building energy consumption when available field data for training is sparse or of unacceptable quality. In particular, we transfer knowledge in the form of data and parameters, from Physics based simulation frameworks to the field to improve the model accuracy, thus resulting in a Physics-informed Machine Learning framework. We evaluated the efficacy of our approach on field data collected from six commercial buildings and our results indicate that the proposed transfer learning based models provide comparative (and in some cases better) accuracy than state-of-the-art machine learning and deep learning solutions, with just one month of field data.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Embedding Learning in Hybrid Quantum-Classical Neural Networks
Quantum embedding learning is an important step in the application of quantum machine learning to classical data. In this paper we propose a quantum few-shot embedding learning paradigm, which learns embeddings useful for training downstream quantum machine learning tasks. Crucially, we identify the circuit bypass problem in hybrid neural networks, where learned classical parameters are optimized to represent the dataset without the quantum kernel. We observe that the few-shot learning embeddings generalize to unseen classes, and suffer less from the circuit bypass problem in terms of better occupation of the parameter space compared with embeddings learned from regression and classification.
Liu, Minzhao↗
Using Machine Learning for Timely Estimates of Ocean Color Information From Hyperspectral Satellite Measurements in the Presence of Clouds, Aerosols, and Sunglint
Retrievals of ocean color from space are important for better understanding of the ocean ecosystem but can be limited under conditions such as clouds, aerosols, and sunglint. Many ocean color algorithms use a few selected spectral bands to perform an atmospheric correction and then derive the upwelling radiance from the ocean. The limitations in the atmospheric correction under certain conditions lead to many gaps in daily spatial coverage of ocean color retrievals. To address these limitations, we introduce a new approach that uses machine learning to estimate ocean color from top of atmosphere radiances or reflectance measurements. In this approach, a principal component analysis is used to decompose the hyperspectral measurements into spectral features that describe the scattering and absorption of the atmosphere and the underlying surface. The coefficients of the principal components are then used to train a neural network to predict ocean color properties derived from the MODIS atmospheric correction algorithm. This machine learning approach is independent of a priori information and does not rely on any radiative transfer modeling. We apply the approach to two hyperspectral UV/VIS instruments, the ozone monitoring instrument (OMI) and the TROPOspheric Monitoring Instrument (TROPOMI), using measurements from 320–500 nm to show that it can be used to reproduce ocean color properties in less-than-ideal conditions. This machine learning approach complements the current atmospheric correction ocean color retrievals by filling in the gaps resulting from cloud, aerosol, and sunglint contamination. This method can be applied to the future hyperspectral Ocean Color Instrument (OCI), which will be onboard NASA’s Plankton, Aerosol Cloud, ocean Ecosystem (PACE) ocean color satellite set to launch in 2024.
Ocean color↗
Graph neural networks for efficient learning of mechanical properties of polycrystals
Herein we present graph neural networks (GNNs) as an efficient and accurate machine learning approach to predict mechanical properties of polycrystalline materials. Here, a GNN was developed based on graph representation of polycrystals incorporating only fundamental features of grains including their crystallographic orientation, size, and grain neighbor connectivity information. We tested our method on modeling stiffness and yield strength of α -Ti microstructures, varying in their crystallographic texture. We find the GNN predicts both properties with high accuracy with mean relative errors of ~1% for unseen microstructures from a given set of textures and < 2% for microstructures of unseen texture, even when presented with limited training data. This accuracy is comparable to methods that require high-resolution three-dimensional (3D) microstructure data, such as 3D convolutional neural networks (3D-CNNs) and models that depend on the computation of spatial statistics. The present results show that graph-based deep learning is a promising framework for property prediction, especially considering the high cost associated with obtaining high-resolution 3D microstructure data and the general scarcity of experimental materials datasets.
36 MATERIALS SCIENCE↗
Theoretical Prediction of Thermal Expansion Anisotropy for Y 2 Si 2 O 7 Environmental Barrier Coatings Using a Deep Neural Network Potential and Comparison to Experiment
Environmental barrier coatings (EBCs) are an enabling technology for silicon carbide (SiC)-based ceramic matrix composites (CMCs) in extreme environments such as gas turbine engines. However, development of new coating systems is hindered by the large design space and difficulty in predicting properties for these materials. Density Functional Theory (DFT) has successfully been used to model and predict some thermodynamic and thermo-mechanical properties of high-temperature ceramics for EBCs, although these calculations are challenging due to their high computational costs. In this work, we use machine learning to train a deep neural network potential (DNP) for Y 2 Si 2 O 7 , which is then applied to calculate thermodynamic and thermo-mechanical properties at near-DFT accuracy much faster and using less computational resources than DFT. We use this DNP to predict phonon-based thermodynamic properties of Y 2 Si 2 O 7 with good agreement to DFT and experiments. We also utilize the DNP to calculate the anisotropic, lattice direction-dependent coefficients of thermal expansion (CTEs) for Y 2 Si 2 O 7 . Molecular dynamics trajectories using the DNP correctly demonstrate accurate prediction of the anisotropy of the CTE in good agreement with diffraction experiments. In the future, this DNP could be applied to accelerate additional property calculations for Y 2 Si 2 O 7 compared to DFT or experiments.
rare earth silicates↗
Microparticle cloud imaging and tracking for data-driven plasma science
Oceans of image and particle track data encountered in plasma interactions with microparticle clouds motivate development and applications of machine-learning (ML) algorithms. A local-constant-velocity tracker, a Kohonen neural network or self-organizing map, the feature tracking kit, and U-Net are described and compared with each other for microparticle cloud datasets generated from exploding wires, dusty plasmas, and atmospheric plasmas. Particle density and the signal-to-noise ratio have been identified as two important factors that affect the tracking accuracy. Fast Fourier transform is used to reveal how U-Net, a deep convolutional neural network developed for non-plasma applications, achieves the improvements for noisy scenes. Viscous effects are revealed in the ballistic motions of the particles from the exploding wires and atmospheric plasmas. Subdiffusion of microparticles satisfying Δr 2 ∝t k (k=0.84±0.02) is obtained from the dusty plasma datasets. Microparticle cloud imaging and tracking, when enhanced with data and ML models, present new possibilities for plasma physics.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Theoretical Prediction of Thermal Expansion Anisotropy for Y 2 Si 2 O 7 Environmental Barrier Coatings Using a Deep Neural Network Potential and Comparison to Experiment
Environmental barrier coatings (EBCs) are an enabling technology for silicon carbide (SiC)-based ceramic matrix composites (CMCs) in extreme environments such as gas turbine engines. However, the development of new coating systems is hindered by the large design space and difficulty in predicting the properties for these materials. Density Functional Theory (DFT) has successfully been used to model and predict some thermodynamic and thermo-mechanical properties of high-temperature ceramics for EBCs, although these calculations are challenging due to their high computational costs. In this work, we use machine learning to train a deep neural network potential (DNP) for Y 2 Si 2 O 7 , which is then applied to calculate the thermodynamic and thermo-mechanical properties at near-DFT accuracy much faster and using less computational resources than DFT. We use this DNP to predict the phonon-based thermodynamic properties of Y 2 Si 2 O 7 with good agreement to DFT and experiments. We also utilize the DNP to calculate the anisotropic, lattice direction-dependent coefficients of thermal expansion (CTEs) for Y 2 Si 2 O 7 . Molecular dynamics trajectories using the DNP correctly demonstrate the accurate prediction of the anisotropy of the CTE in good agreement with the diffraction experiments. In the future, this DNP could be applied to accelerate additional property calculations for Y 2 Si 2 O 7 compared to DFT or experiments.
36 MATERIALS SCIENCE↗
Predicting nepheline precipitation in waste glasses using ternary submixture model and machine learning
Nepheline precipitation in nuclear waste glasses during vitrification can be detrimental due to its negative effect on chemical durability. Developing models to accurately predict nepheline precipitation from compositions is important to increase waste loading since existing models can be overly conservative. In this study, an expanded dataset containing 955 glasses was compiled from literature data, where 355 glasses are for high-level waste (HLW). Previously developed submixture models were refitted using the new dataset, where a misclassification rate of 7.8% was achieved. Nine machine learning (ML) algorithms (e.g., k-nearest neighbor, Gaussian process regression, artificial neural network, support vector machine, decision tree, etc.) were applied to evaluate their ability of predicting nepheline precipitation from compositions. Model accuracy, precision, recall/sensitivity, and F1 score were systemically compared between different ML algorithms and modeling protocols. Good model prediction with an accuracy ~0.9 (misclassification rate of ~10%) was observed with different algorithms under certain protocol. This study evaluated various ML models to predict nepheline precipitations in waste glasses, highlighting the importance of data preparation, modeling protocol, and their effect on model stability and reproducibility. The results provide insights into applying ML to predict glass properties and suggest areas for future research on modeling nepheline precipitations.
Lu, Xiaonan↗
Multiscale CFD simulation of biomass fast pyrolysis with a machine learning derived intra-particle model and detailed pyrolysis kinetics
Coupling particle and reactor scale models is as essential as reactor fluid dynamics and particle motion for accurate Computational Fluid Dynamic (CFD) simulations of biomass fast pyrolysis reactors due to intraparticle heat transfer and chemical reactions controlling conversion time and product distributions. Direct online coupling of a particle model with a reactor model is computationally expensive, while offline coupling is case-dependent. In this research, solutions from a series of particle pyrolysis simulations were regressed with Artificial Neural Network (ANN). Furthermoer, this machine learning-derived model predicted the same temperature and conversion profiles compared with particle resolved simulation while the isothermal approach overpredicted the temperature by 130 K and underpredicted the conversion time by 30 s. The ANN model was then integrated into CFD simulations of fluidized bed biomass fast pyrolysis with varied feedstocks via coupling PyTorch and MFiX. The averaged error of simulation predicted bio-oil yields with four feedstocks is 6.4%. This multi-scale approach provides an efficient tool for the coupled particle and reactor scale simulations of biomass pyrolysis.
09 BIOMASS FUELS↗
Federated Quantum Machine Learning
Distributed training across several quantum computers could significantly improve the training time and if we could share the learned model, not the data, it could potentially improve the data privacy as the training would happen where the data is located. One of the potential schemes to achieve this property is the federated learning (FL), which consists of several clients or local nodes learning on their own data and a central node to aggregate the models collected from those local nodes. However, to the best of our knowledge, no work has been done in quantum machine learning (QML) in federation setting yet. In this work, we present the federated training on hybrid quantum-classical machine learning models although our framework could be generalized to pure quantum machine learning model. Specifically, we consider the quantum neural network (QNN) coupled with classical pre-trained convolutional model. Our distributed federated learning scheme demonstrated almost the same level of trained model accuracies and yet significantly faster distributed training. It demonstrates a promising future research direction for scaling and privacy aspects.
97 MATHEMATICS AND COMPUTING↗
Machine-Learned Committor Functions for Reactive Molecular Dynamics
Reactive molecular dynamics (MD) is a powerful tool for atomistic-scale modeling of a diverse range of chemical processes. However, scaling these simulations to large systems and long times scales remains a challenge because of the complexity of the potential energy function required. The authors previously developed a heuristic approach, called REACTER, that incorporates reactivity in MD simulations in a less general but much more computationally efficient manner. REACTER uses standard, fixed valence force fields as the underlying potentialenergy surface for describing all interatomic interactions but adds a procedure for enforcing user-defined reactions that occur when certain geometric constraints on relative atomic positions are satisfied. Further, these bonding changes can be accepted or rejected with a probability related tothe local thermal energy. This work seeks to generalize this approach by replacing the set of user defined geometric constraints and energetic criteria with a committor function that specifies the probability of a reaction occurring on the basis of the local atomic configuration. The committor function is a useful mathematical tool for modeling rare events but, unfortunately, is very difficult to compute for realistic systems in a general way. This work describes a method for approximating the committor function using a machine learning approach, specifically a deep neural network trained with data from reactive MD and DFT-based dynamics simulations. This network is coupled to the existing REACTER protocol, as implemented in the LAMMPS MD package, and used to make on-the-fly predictions of reaction probabilities without the more extensive user input previously required. The new method is demonstrated using the polymerization of polystyrene as a case study. Although very dependent on the quality and quantity of training data, machine-learned committor functions show promise as a method for incorporating reaction probability from higher level calculations into highly scalable MD simulations.
polymer simulations↗
Machine Learning Predictions of Transition Probabilities in Atomic Spectra
Forward modeling of optical spectra with absolute radiometric intensities requires knowledge of the individual transition probabilities for every transition in the spectrum. In many cases, these transition probabilities, or Einstein A-coefficients, quickly become practically impossible to obtain through either theoretical or experimental methods. Complicated electronic orbitals with higher order effects will reduce the accuracy of theoretical models. Experimental measurements can be prohibitively expensive and are rarely comprehensive due to physical constraints and sheer volume of required measurements. Due to these limitations, spectral predictions for many element transitions are not attainable. In this work, we investigate the efficacy of using machine learning models, specifically fully connected neural networks (FCNN), to predict Einstein A-coefficients using data from the NIST Atomic Spectra Database. For simple elements where closed form quantum calculations are possible, the data-driven modeling workflow performs well but can still have lower precision than theoretical calculations. For more complicated nuclei, deep learning emerged more comparable to theoretical predictions, such as Hartree–Fock. Unlike experiment or theory, the deep learning approach scales favorably with the number of transitions in a spectrum, especially if the transition probabilities are distributed across a wide range of values. It is also capable of being trained on both theoretical and experimental values simultaneously. In addition, the model performance improves when training on multiple elements prior to testing. The scalability of the machine learning approach makes it a potentially promising technique for estimating transition probabilities in previously inaccessible regions of the spectral and thermal domains on a significantly reduced timeline.
74 ATOMIC AND MOLECULAR PHYSICS↗
Landsat 8 monitoring of multi-depth suspended sediment concentrations in Lake Erie’s Maumee River using machine learning
Satellite remote sensing has been widely used to map suspended sediment concentration (SSC) in waterbodies. However, due to the complexity of sediment-water interactions, it has been difficult to derive linear and non-linear regression equations to reliably predict SSC, especially when trying to estimate depth of integrated sediment. Herein, this study uses Landsat 8 OLI (Operational Land Imager) sensor to map SSC within the Maumee River in Ohio, USA, at multiple depth intervals (15, 61, 91, and 182 cm). Simple linear least squares regression (LLSR), and three common machine learning models: random forest (RF), support vector regression (SVR), and model averaged neural network (MANN) were used to estimate SSC at the depth intervals. All machine learning models significantly outperformed LLSR while RF performed the best. In both RF and MANN, R2 (coefficient of determination) increases with depth with a maximum R2 of 0.89 and 0.83, respectively, at a depth of 0–182 cm. The results show that machine learning models can implement nonlinear relationships that produce better predictions than traditional linear regression methods in estimating depth integrated SSC, especially when samples are limited.
47 OTHER INSTRUMENTATION↗