Bayesian Algorithms for Practical Accelerator Control and Adaptive Machine Learning for Time-Varying Systems
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Scheinker, Alexander↗
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TU-F-17A-01: BEST IN PHYSICS (JOINT IMAGING-THERAPY) - An Automatic Toolkit for Efficient and Robust Analysis of 4D Respiratory Motion
Purpose: To provide an automatic image analysis toolkit to process thoracic 4-dimensional computed tomography (4DCT) and extract patient-specific motion information to facilitate investigational or clinical use of 4DCT. Methods: We developed an automatic toolkit in MATLAB to overcome the extra workload from the time dimension in 4DCT. This toolkit employs image/signal processing, computer vision, and machine learning methods to visualize, segment, register, and characterize lung 4DCT automatically or interactively. A fully-automated 3D lung segmentation algorithm was designed and 4D lung segmentation was achieved in batch mode. Voxel counting was used to calculate volume variations of the torso, lung and its air component, and local volume changes at the diaphragm and chest wall to characterize breathing pattern. Segmented lung volumes in 12 patients are compared with those from a treatment planning system (TPS). Voxel conversion was introduced from CT# to other physical parameters, such as gravity-induced pressure, to create a secondary 4D image. A demon algorithm was applied in deformable image registration and motion trajectories were extracted automatically. Calculated motion parameters were plotted with various templates. Machine learning algorithms, such as Naive Bayes and random forests, were implemented to study respiratory motion. This toolkit is complementary to and will be integrated with the Computational Environment for Radiotherapy Research (CERR). Results: The automatic 4D image/data processing toolkit provides a platform for analysis of 4D images and datasets. It processes 4D data automatically in batch mode and provides interactive visual verification for manual adjustments. The discrepancy in lung volume calculation between this and the TPS is <±2% and the time saving is by 1–2 orders of magnitude. Conclusion: A framework of 4D toolkit has been developed to analyze thoracic 4DCT automatically or interactively, facilitating both investigational and clinical use. More software tools are under development for automatic analysis of other 4D imaging modalities. This research is in part supported by NIH (U54CA137788/132378) and City Seed FY13(Grant No. 93348-14 01). AY would like to thank MSKCC summer medical student research program supported by National Cancer Institute and hosted by Department of Medical Physics at MSKCC.
60 APPLIED LIFE SCIENCES↗
DOE Express Quantum Computing Application Teams (QCAT FY20 Report)
The QCOR project consists of 4 main research tasks: 1) scientific applications and algorithm development for machine learning (ML) and quantum theories of condensed matter systems and lattice gauge theories; 2) high-level quantum-classical (HLQC) language and domain specific language (DSL) development; 3) compiler and interfaces development for the HLQC language; and 4) hardware-level control, optimization, and algorithms libraries. In the succeeding sections we report on progress towards our research tasks during the 2020 calendar year.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
RADAI: A Large-Scale Realistic Dataset for Radiation Detection Algorithm Development
Open, realistic datasets are essential for developing and benchmarking radiation detection algorithms, yet they remain scarce. The Radiological Anomaly Detection and Identification (RADAI) project was develop to create datasets that meet the training and testing needs for sophisticated radiation detection algorithms. The RADAI dataset is a large-scale synthetic resource that integrates high-fidelity Monte Carlo simulations with realistic urban scenarios to capture both background variability and source signatures. RADAI models construction-material NORM, people and vehicles, urban clutter, and dynamic environmental effects such as cosmic-ray and rain-induced transients, and they provide list-mode detector data with motion and response modeling suitable for algorithm training and evaluation. The RADAI project resulted in three publicly-released complementary datasets together with an online scoring portal for standardized performance assessment and an open software toolkit that supports data access, augmentation, model development, and evaluation. These resources enable reproducible comparisons across methods and promote rigorous studies at the scale required by contemporary machine learning. By grounding algorithm development in realistic, well-documented conditions, RADAI supports progress toward more robust detection, identification, and localization in complex urban environments.
Ghawaly, James M. [Division of Computer Science an↗
NASA’s Prototype Spectral Water Inversion Processor and Emulator (SWIPE): Towards Global Coastal and Inland Water Quality and Algal Biodiversity Monitoring
Degradation of Earth’s inland water resources due to anthropogenic perturbations and climate anomalies at both local and global scales continues to place human health at substantial risk. There is now a growing necessity to develop pragmatic approaches that allow timely and effective extrapolation of local processes, to spatially resolved global products, and to promote operational and sustainable resource policy management. This presentation will provide updates on NASA’s prototype open-source aquatic modeling platform, Spectral Water Inversion Processor and Emulator (SWIPE), which is a comprehensive, multi-faceted modeling platform for both forward and inverse modeling of diverse aquatic ecosystems from the benthos to top-of-atmosphere (TOA). SWIPE provides a cohesive application which leverages recent advancements in particle modeling, Big Data analytics, and machine learning to develop a high-fidelity synthetic training ground for sensitivity studies and algorithm development for multispectral or upcoming hyperspectral missions. Some of the prominent features of SWIPE to be discussed include: 1. Advanced hyperspectral modeling of globally diverse algal and non-algal particles using a novel two-layer coated sphere scattering model and radiative transfer modeling, 2. Massive, highly detailed synthetic spectral libraries of Analysis-Ready-Data (ARD) which include spectral libraries of particle microphysics, water biogeophysical and optical properties, as well as surface and TOA reflectances at 1 nm resolution, 3. An ensemble of pre-built analytic, machine learning, and deep learning inversion algorithms for various water quality and biodiversity related retrieval parameters and uncertainty quantification, 4. Sensor-agnostic water quality inversion at wide ranging spatial and spectral resolutions including a codebase for seamless application in the Google Earth Engine and NASA Earth Exchange (NEX) for planetary scale analysis. SWIPE will be a fully open-source platform based in python with comprehensive documentation, tutorials, and options for distributed computing on high performance computing clusters or on single, local machines. Further, we will discuss how we envision SWIPE contributing towards a global analysis of coastal and inland water quality dynamics.
top-of-atmosphere (TOA)↗
Machine Learning technique for isotopic determination of radioisotopes using HPGe γ-ray spectra
γ-ray spectroscopy is a quantitative, non-destructive technique that may be utilized for the identification and quantitative isotopic estimation of radionuclides. Traditional methods of isotopic determination have various challenges that contribute to statistical and systematic uncertainties in the estimated isotopics. Furthermore, these methods typically require numerous pre-processing steps, and have only been rigorously tested in laboratory settings with limited shielding. Here, in this work, we examine the application of a number of machine learning based regression algorithms as alternatives to conventional approaches for analyzing γ-ray spectroscopy data in the Emergency Response arena. This approach not only eliminates many steps in the analysis procedure, and therefore offers potential to reduce this source of systematic uncertainty, but is also shown to offer comparable performance to conventional approaches in the Emergency Response Application.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
HLS4ML Integration with QICK
The QICK (Quantum Instrumentation Control Kit) integration aims to enhance the readout of superconducting qubits by leveraging machine learning (ML) techniques. These techniques offer high accuracy, increased speed, and better state preservation for qubit readouts. The integration process employs neural network algorithms to optimize system performance and achieve high accuracy rates. The QICK board uses an FPGA, allowing for efficient real-time processing and high-performance execution of machine learning algorithms.
Ali, Mohamud↗
Scatter-Reducing Sounding Filtration Using a Genetic Algorithm and Mean Monthly Standard Deviation
Retrieval algorithms like that used by the Orbiting Carbon Observatory (OCO)-2 mission generate massive quantities of data of varying quality and reliability. A computationally efficient, simple method of labeling problematic datapoints or predicting soundings that will fail is required for basic operation, given that only 6% of the retrieved data may be operationally processed. This method automatically obtains a filter designed to reduce scatter based on a small number of input features. Most machine-learning filter construction algorithms attempt to predict error in the CO2 value. By using a surrogate goal of Mean Monthly STDEV, the goal is to reduce the retrieved CO2 scatter rather than solving the harder problem of reducing CO2 error. This lends itself to improved interpretability and performance. This software reduces the scatter of retrieved CO2 values globally based on a minimum number of input features. It can be used as a prefilter to reduce the number of soundings requested, or as a post-filter to label data quality. The use of the MMS (Mean Monthly Standard deviation) provides a much cleaner, clearer filter than the standard ABS(CO2-truth) metrics previously employed by competitor methods. The software's main strength lies in a clearer (i.e., fewer features required) filter that more efficiently reduces scatter in retrieved CO2 rather than focusing on the more complex (and easily removed) bias issues.
Mandrake, Lukas↗
Latent-space time evolution of non-intrusive reduced-order models using Gaussian process emulation
Non-intrusive reduced-order models (ROMs) have recently generated considerable interest for constructing computationally efficient counterparts of nonlinear dynamical systems emerging from various domain sciences. They provide a low-dimensional emulation framework for systems that may be intrinsically high-dimensional. This is accomplished by utilizing a construction algorithm that is purely data-driven. It is no surprise, therefore, that the algorithmic advances of machine learning have led to non-intrusive ROMs with greater accuracy and computational gains. However, in bypassing the utilization of an equation-based evolution, it is often seen that the interpretability of the ROM framework suffers. This becomes more problematic when black-box deep learning methods are used which are notorious for lacking robustness outside the physical regime of the observed data. In this article, we propose the use of a novel latent-space interpolation algorithm based on Gaussian process regression. Notably, this reduced-order evolution of the system is parameterized by control parameters to allow for interpolation in space. The use of this procedure also allows for a continuous interpretation of time which allows for temporal interpolation. The latter aspect provides information, with quantified uncertainty, about full-state evolution at a finer resolution than that utilized for training the ROMs. This research assesses the viability of this algorithm for an advection-dominated system given by the inviscid shallow water equations.
97 MATHEMATICS AND COMPUTING↗
Chapter 7: Predictive Analytics in Future Power Systems: A Panorama and State-of-the-Art of Deep Learning Applications
The challenges surrounding the optimal operation of power systems are growing in various dimensions, due in part to increasingly distributed energy resources and a progression towards large-scale transportation electrification. Currently, the increasing uncertainties associated with both renewable energy generation and demand are largely being managed by increasing operational reserves - potentially at the cost of suboptimal economic conditions - in order to maintain the reliability of the system. This chapter looks at the big picture role of forecasting in power systems from generation to consumption and provides a comprehensive review of traditional approaches for forecasting generation and load in various contexts. This chapter then takes a deep dive into the state-of-the-art machine learning and deep learning approaches for power systems forecasting. Furthermore, a case study of multi-time-horizon solar irradiance forecasting using deep learning is discussed in detail. Smart grids form the backbone of the future interdependent networks. For addressing the challenges associated with the operations of smart grid, development and wide adoption of machine learning and deep learning algorithms capable of producing better forecasting accuracies is urgently needed. Along with exploring the implementation and benefits of these approaches, this chapter also considers the strengths and limitations of deep learning algorithms for power systems forecasting applications. This chapter, thus, provides a panoramic view of state-of-the-art of predictive analytics in power systems in the context of future smart grid operations.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Image feature extraction and galaxy classification: a novel and efficient approach with automated machine learning
ABSTRACT In this work, we explore the possibility of applying machine learning methods designed for 1D problems to the task of galaxy image classification. The algorithms used for image classification typically rely on multiple costly steps, such as the point spread function deconvolution and the training and application of complex Convolutional Neural Networks of thousands or even millions of parameters. In our approach, we extract features from the galaxy images by analysing the elliptical isophotes in their light distribution and collect the information in a sequence. The sequences obtained with this method present definite features allowing a direct distinction between galaxy types. Then, we train and classify the sequences with machine learning algorithms, designed through the platform Modulos AutoML. As a demonstration of this method, we use the second public release of the Dark Energy Survey (DES DR2). We show that we are able to successfully distinguish between early-type and late-type galaxies, for images with signal-to-noise ratio greater than 300. This yields an accuracy of $86{{\ \rm per\ cent}}$ for the early-type galaxies and $93{{\ \rm per\ cent}}$ for the late-type galaxies, which is on par with most contemporary automated image classification approaches. The data dimensionality reduction of our novel method implies a significant lowering in computational cost of classification. In the perspective of future data sets obtained with e.g. Euclid and the Vera Rubin Observatory, this work represents a path towards using a well-tested and widely used platform from industry in efficiently tackling galaxy classification problems at the peta-byte scale.
79 ASTRONOMY AND ASTROPHYSICS↗
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↗
Modular machine learning-based elastoplasticity: Generalization in the context of limited data
The development of highly accurate constitutive models for materials that undergo path-dependent processes continues to be a complex challenge in computational solid mechanics. Challenges arise both in considering the appropriate model assumptions and from the viewpoint of data availability, verification, and validation. Recently, data-driven modeling approaches have been proposed that aim to establish stress-evolution laws that avoid user-chosen functional forms by relying on machine learning representations and algorithms. However, these approaches not only require a significant amount of data but also need data that probes the full stress space with a variety of complex loading paths. Furthermore, they rarely enforce all necessary thermodynamic principles as hard constraints. Hence, they are in particular not suitable for low-data or limited-data regimes, where the first arises from the cost of obtaining the data and the latter from the experimental limitations of obtaining labeled data, which is commonly the case in engineering applications. In this work, we discuss a hybrid framework that can work on a variable amount of data by relying on the modularity of the elastoplasticity formulation where each component of the model can be chosen to be either a classical phenomenological or a data-driven model depending on the amount of available information and the complexity of the response. The method is tested on synthetic uniaxial data coming from simulations as well as cyclic experimental data for structural materials. The discovered material models are found to not only interpolate well but also allow for accurate extrapolation in a thermodynamically consistent manner far outside the domain of the training data. This ability to extrapolate from limited data was the main reason for the early and continued success of phenomenological models and the main shortcoming in machine learning-enabled constitutive modeling approaches. Training aspects and details of the implementation of these models into Finite Element simulations are discussed and analyzed.
42 ENGINEERING↗
Exploring Applications of Machine Learning for Wildfire Monitoring and Detection using Unmanned Aerial Vehicles
Wildfires are increasing in frequency and severity around the world, including the United States. The losses caused by wildfires could be mitigated if high-risk areas, hotspots, and flare-ups could be monitored continuously, such as through the use of Unmanned Aerial Vehicles (UAVs). This paper documents exploratory efforts using machine learning to determine efficient flight paths for UAVs and to detect wildfires using image classification. On path planning, three machine learning techniques—Genetic Algorithm, Simulated Annealing, and Dynamic Programming—were explored. Genetic Algorithm was found to be an effective approach for path planning for wildfire monitoring and surveillance by UAVs. For a scenario of 25 locations in a circular arrangement, the algorithm was able to return the optimal path. The accuracy and execution time was found to be sensitive to the algorithm hyperparameters selected, which was especially evident in scenarios with hundreds or thousands of locations. Simulated Annealing was also found to be an effective approach for UAV path planning, with a major benefit of avoiding getting trapped in local minima and being straightforward to implement. Like Genetic Algorithm, the performance of Simulated Annealing was also found to be sensitive to the algorithm hyperparameters selected. By comparison, Dynamic Programming guarantees optimality for any number of locations, but it was found to be less practical in terms of execution time for scenarios with more than about a couple dozen locations. On wildfire detection, image classification using deep learning with a convolutional neural network was explored. Transfer learning was found to be a useful technique to efficiently train deep learning models. Also, it was determined that GPU processing can increase training speed by an order of magnitude, which enables significantly faster development. For a validation test set of 500 images, there were only two false negatives and zero false positives. These results demonstrate that detecting wildfires in static cameras using machine learning is feasible and establish a baseline for using images captured by UAVs in flight for wildfire detection.
Wildfire management↗
Application of machine learning approaches in the analysis of mass absorption cross-section of black carbon aerosols: Aerosol composition dependencies and sensitivity analyses
Physics-based models typically require an in-depth understanding of a phenomenon and assumptions of the underlying process(es), which are often hard to obtain in practice, whereas data-driven machine learning models learn the structure and patterns in the training data without any prior theoretical assumptions and then use inference to develop useful predictions. A novel machine learning-based algorithm has been previously developed for the prediction of black carbon mass absorption cross-section (MAC BC ) and applied to a variety of different atmospheric environments. In contrast to light scattering theories which require assumptions about the underlying physics, this algorithm uses time-series data of aerosol properties to estimate the temporally-varying MAC BC at 870 nm. Here, we analyze our algorithm and discuss the influence of aerosol optical properties (such as Ångström exponents and single scattering albedo) and chemical composition on the model outputs and the associated accuracy. Additionally, we conduct sensitivity analyses on our models to understand how the predictions change in response to different sets of input variables. Our support vector machine (SVM) for regression model is the least sensitive to variations in the input variables, although all models tend to exhibit a degradation to their accuracy when scattering Ångström exponents are less than one.
54 ENVIRONMENTAL SCIENCES↗
BIPSPI+: Mining Type-Specific Datasets of Protein Complexes to Improve Protein Binding Site Prediction
Computational approaches for predicting protein-protein interfaces are extremely useful for understanding and modelling the quaternary structure of protein assemblies. In particular, partner-specific binding site prediction methods allow delineating the specific residues that compose the interface of protein complexes. In recent years, new machine learning and other algorithmic approaches have been proposed to solve this problem. However, little effort has been made in finding better training datasets to improve the performance of these methods. With the aim of vindicating the importance of the training set compilation procedure, in this work we present BIPSPI+, a new version of our original server trained on carefully curated datasets that outperforms our original predictor. We show how prediction performance can be improved by selecting specific datasets that better describe particular types of protein interactions and interfaces (e.g. homo/hetero). In addition, our upgraded web server offers a new set of functionalities such as the sequence-structure prediction mode, hetero- or homo-complex specialization and the guided docking tool that allows to compute 3D quaternary structure poses using the predicted interfaces. BIPSPI+ is freely available at https://bipspi.cnb.csic.es.
59 BASIC BIOLOGICAL SCIENCES↗
Extracting an Empirical Intermetallic Hydride Design Principle from Limited Data via Interpretable Machine Learning.
Abstract not provided.
Witman, Matthew↗
Final LDRD Report: Using Linkography of Cyber Attack Patterns to Inform Honeytoken Placement
The war to establish cyber supremacy continues, and the literature is crowded with strictly technical cyber security measures. We present the results of a three year LDRD project using Linkography, a methodology new to the field of cyber security, we establish the foundation necessary to track and profile the microbehavior of humans attacking cyber systems. We also propose ways to leverage this understanding to influence and deceive these attackers. We studied the science of linkography, applied it to the cyber security domain, implemented a software package to manage linkographs, generated the preprocessing blocks necessary to ingest raw data, produced machine learning models, created ontology refinement algorithms and prototyped a web application for researchers and practitioners to apply linkography. Machine learning produced some of our key results: We trained and validated multinomial classifiers with a real world data set and predicted the attacker's next category of action with 86 to 98% accuracy; dimension reduction techniques indicated that the linkography-based features were among the most powerful. We also discovered ontology refinement algorithms that advanced the state of the art in linkography in general and cyber security in particular. We conclude that linkography is a viable tool for cyber security; we look forward to expanding our work to other data sources and using our prediction results to enable adversary deception techniques.
97 MATHEMATICS AND COMPUTING↗