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At least 127 records · Page 7

Chaotic dynamics of flexible Euler-Bernoulli beams

Mathematical modeling and analysis of spatio-temporal chaotic dynamics of flexible simple and curved Euler-Bernoulli beams are carried out. The Kármán-type geometric non-linearity is considered. Algorithms reducing partial differential equations which govern the dynamics of studied objects and associated boundary value problems are reduced to the Cauchy problem through both Finite Difference Method with the approximation of O(c{sup 2}) and Finite Element Method. The obtained Cauchy problem is solved via the fourth and sixth-order Runge-Kutta methods. Validity and reliability of the results are rigorously discussed. Analysis of the chaotic dynamics of flexible Euler-Bernoulli beams for a series of boundary conditions is carried out with the help of the qualitative theory of differential equations. We analyze time histories, phase and modal portraits, autocorrelation functions, the Poincaré and pseudo-Poincaré maps, signs of the first four Lyapunov exponents, as well as the compression factor of the phase volume of an attractor. A novel scenario of transition from periodicity to chaos is obtained, and a transition from chaos to hyper-chaos is illustrated. In particular, we study and explain the phenomenon of transition from symmetric to asymmetric vibrations. Vibration-type charts are given regarding two control parameters: amplitude q{sub 0} and frequency ω{sub p} of the uniformly distributed periodic excitation. Furthermore, we detected and illustrated how the so called temporal-space chaos is developed following the transition from regular to chaotic system dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

MicroRNA-378 regulates neural stem cell proliferation and differentiation in vitro by modulating Tailless expression

Previous studies have suggested that microRNAs (miRNAs) play an important role in regulating neural stem cell (NSC) proliferation and differentiation. However, the precise role of miRNAs in NSC remains largely unexplored. In this study, we showed that miR-378 can target Tailless (TLX), a critical regulator of NSC, to regulate NSC proliferation and differentiation. By bioinformatic algorithms, miR-378 was found to have a predicted target site in the 3′-untranslated region of TLX, which was verified by a dual-luciferase reporter assay. The expression of miR-378 was increased during NSC differentiation and inversely correlated with TLX expression. qPCR and Western blot analysis also showed that miR-378 negatively regulated TLX mRNA and protein expression in neural stem cells (NSCs). Intriguingly, overexpression of miR-378 increased NSC differentiation and reduced NSC proliferation, whereas suppression of miR-378 led to decreased NSC differentiation and increased NSC proliferation. Moreover, the downstream targets of TLX, including p21, PTEN and Wnt/β-catenin were also found to be regulated by miR-378. Additionally, overexpression of TLX rescued the NSC proliferation deficiency induced by miR-378 overexpression and abolished miR-378-promoted NSC differentiation. Taken together, our data suggest that miR-378 is a novel miRNA that regulates NSC proliferation and differentiation via targeting TLX. Therefore, manipulating miR-378 in NSCs could be a novel strategy to develop novel interventions for the treatment of relevant neurological disorders. - Highlights: • miR-378 targeted and regulated TLX. • miR-378 was increased during NSC differentiation. • miR-378 regulated NSC proliferation and differentiation. • miR-378 regulated NSC self-renew through TLX.

60 APPLIED LIFE SCIENCES↗

Mitigate: An Adaptive Network Data Anonymization Tool Using Condensation-Based Differential Privacy

Modern network devices collect a large amount of data that can be analyzed to identify bottlenecks, anomalies, cyber-attacks, etc. Therefore, there is often a need to analyze such collections of network data quite often by an external expert or by the research community. However, these collections of data contain sensitive, proprietary information. In order for the network data to be shared, it must first be anonymized. The overall objective of this project is to develop an innovative privacy management tool to anonymize network data and achieve sufficient privacy, acceptable data utility, and efficient data analysis at the same time. No existing anonymization methods can achieve all of these at the same time. The core of this technology is a differential private clustering algorithm that provides strong privacy protection, preserves data properties important for subsequent analysis, and allows the party receiving the anonymized data to conduct analysis directly on anonymized data without the need of decryption or any extra processing. The research carried out was to design, implement and verify a solution to this problem by completing the following tasks: 1) developing the core technology; 2) developing a context based method that automatically recommends fields that must be anonymized; 3) conducted experiments showing superior results using our approach compared to existing tools, and 4) developed an intuitive but basic user interface. The research that was conducted generated novel algorithmic techniques that utilize state-of-the-art methods such as condensation, differential privacy preservation, clustering, automated tuning based on contextual awareness, and recommendation techniques to specify columns to users for anonymization leading to optimal privacy that allows research analysis on the dataset. Experiments were conducted to evaluate the efficacy of these novel algorithmic techniques by performing analysis on original non-anonymized datasets, then conducting analysis on the same yet anonymized datasets and comparing the results of the analyses. Overall, the anonymized analysis results were within 1% of the original results, verifying that the generated technology not only guarantees a high level of privacy but also enables research analysis as if it were conducted on the original dataset. Potential applications of this technology include anonymization of any type of structured network datasets that contain sensitive identifiers, such as IP addresses, that can be used in multiple applications. For example, to create an AI or machine learning model for cyber security, e.g., to detect attacks, or for performance analysis, e.g., identify bottlenecks or predict performance. In addition, a market analysis that was conducted for potential applications of this technology identified a broader range of applications of our anonymization technology beyond the network sector that includes healthcare, banking, insurance, securities, finance (FISB), data brokering, cloud services, ad sales, and government.

97 MATHEMATICS AND COMPUTING↗

Position Papers for the ASCR Workshop on Cybersecurity and Privacy for Scientific Computing Ecosystems

At the request of the Department of Energy's (DOE) Office of Advanced Scientific Computing Research (ASCR), this program committee has been tasked with organizing a workshop to identify basic research needs in cybersecurity and privacy to better support DOE's science and energy mission. As part of the process, the program committee is soliciting community input in the form of position papers to help identify significant use cases, facility issues, and other barriers to enabling verifiably trustworthy computational science while preserving data confidentiality as appropriate for scientific workflows of interest to DOE. The program committee will review these position papers and based on the fit of their area of expertise and interest, selected contributors will have the opportunity to participate in the workshop currently planned as a virtual event November 3-5th, 2021. The thrust areas that will be explored by this workshop are the following: (1) Algorithms for secure, scalable, privacy-enhancing technologies and frameworks, including: Federated AI/ML, Differential privacy, Randomized algorithms, Adversarial modeling & simulation, Graph algorithms, and Formal methods; (2) Platforms to support the entire scientific-computing ecosystem, including edge computing for large-scale experiments, focusing on heterogeneous systems and distributed systems, including: Heterogeneous computing systems, Distributed computing systems, and Secure data architectures; and (3) Data workflows to allow agile use of data while preserving integrity and privacy, making the important properties verifiable either at runtime or post-computation, including: Integrity and provenance and Data management infrastructure. Topics that are out-of-scope for the workshop include discussing specific proposed solutions or areas that are clearly out of DOE's fundamental and applied-sciences mission scope, e.g., cryptography, enterprise security, and general-operations technology.

97 MATHEMATICS AND COMPUTING↗

The Differential Algebra Based Multiple Level Fast Multipole Algorithm for 3D Space Charge Field Calculation and Photoemission Simulation

Coulomb interaction between charged particles inside a bunch is one of the most importance collective effects in beam dynamics, becoming even more significant as the energy of the particle beam is lowered to accommodate analytical and low-Z material imaging purposes such as in the time resolved Ultrafast Electron Microscope (UEM) development currently underway at Michigan State University. In addition, space charge effects are the key limiting factor in the development of ultrafast atomic resolution electron imaging and diffraction technologies and are also correlated with an irreversible growth in rms beam emittance due to fluctuating components of the nonlinear electron dynamics. In the short pulse regime used in the UEM, space charge effects also lead to virtual cathode formation in which the negative charge of the electrons emitted at earlier times, combined with the attractive surface field, hinders further emission of particles and causes a degradation of the pulse properties. Space charge and virtual cathode effects and their remediation are core issues for the development of the next generation of high-brightness UEMs. Since the analytical models are only applicable for special cases, numerical simulations, in addition to experiments, are usually necessary to accurately understand the space charge effect. In this paper we will introduce a grid-free differential algebra based multiple level fast multipole algorithm, which calculates the 3D space charge field for n charged particles in arbitrary distribution with an efficiency of O(n), and the implementation of the algorithm to a simulation code for space charge dominated photoemission processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fully quantum algorithm for mesoscale fluid simulations with application to partial differential equations

Fluid flow simulations marshal our most powerful computational resources. In many cases, even this is not enough. Quantum computers provide an opportunity to speed up traditional algorithms for flow simulations. We show that lattice-based mesoscale numerical methods can be executed as efficient quantum algorithms due to their statistical features. This approach revises a quantum algorithm for lattice gas automata to reduce classical computations and state preparation at every time step. For this, the algorithm approximates the qubit relative phases and subtracts them at the end of each time step. Phases are evaluated using the iterative phase estimation algorithm and subtracted using single-qubit rotation phase gates. Further, this method optimizes the quantum resource required and makes it more appropriate for near-term quantum hardware. We also demonstrate how the checkerboard deficiency that the D1Q2 scheme presents can be resolved using the D1Q3 scheme. The algorithm is validated by simulating two canonical partial differential equations: the diffusion and Burgers' equations on different quantum simulators. We find good agreement between quantum simulations and classical solutions for the presented algorithm.

97 MATHEMATICS AND COMPUTING↗

Group Projected subspace pursuit for IDENTification of variable coefficient differential equations (GP-IDENT)

We propose an effective and robust algorithm for identifying partial differential equations (PDEs) with space-time varying coefficients from the noisy observation of a single solution trajectory. Identifying unknown differential equations from noisy data is a difficult task, and it is even more challenging with space and time varying coefficients in the PDE. The proposed algorithm, GP-IDENT, has three ingredients: (i) we use B-spline bases to express the unknown space and time varying coefficients, (ii) we propose Group Projected Subspace Pursuit (GPSP) to find a sequence of candidate PDEs with various levels of complexity, and (iii) we propose a new criterion for model selection using the Reduction in Residual (RR) to choose an optimal one among a pool of candidates. The new GPSP considers group projected subspaces which is more robust than existing methods in distinguishing correlated group features. We test GP-IDENT on a variety of PDEs and PDE systems, and compare it with the state-of-the-art parametric PDE identification algorithms under different settings to illustrate its outstanding performance. Furthermore, our experiments show that GP-IDENT is effective in identifying the correct terms from a large dictionary, and our model selection scheme is robust to noise.

Data-driven method↗

Solving high-dimensional partial differential equations using deep learning

Developing algorithms for solving high-dimensional partial differential equations (PDEs) has been an exceedingly difficult task for a long time, due to the notoriously difficult problem known as the “curse of dimensionality.” This paper introduces a deep learning-based approach that can handle general high-dimensional parabolic PDEs. To this end, the PDEs are reformulated using backward stochastic differential equations and the gradient of the unknown solution is approximated by neural networks, very much in the spirit of deep reinforcement learning with the gradient acting as the policy function. Numerical results on examples including the nonlinear Black–Scholes equation, the Hamilton–Jacobi–Bellman equation, and the Allen–Cahn equation suggest that the proposed algorithm is quite effective in high dimensions, in terms of both accuracy and cost. Furthermore, this opens up possibilities in economics, finance, operational research, and physics, by considering all participating agents, assets, resources, or particles together at the same time, instead of making ad hoc assumptions on their interrelationships.

97 MATHEMATICS AND COMPUTING↗

Segmentation of RDX and TNT in X‐Ray Computed Tomography Reconstructions of Melt‐Cast Explosives

ABSTRACT Three‐dimensional mesoscale characterization of heterogeneous melt‐cast high explosives is challenging because of the difficulty differentiating binder from explosive crystals: two functionally different materials which are typically similar in density by design. Here, we report an algorithm which can differentiate hexahydro‐1,3,5‐trinitro‐1,3,5‐triazine (RDX) from 2,4,6‐trinitrotoluene (TNT) in x‐ray computed tomography (CT) volumes with tens of microns resolution. This method allows us to quantify RDX/TNT content, porosity, and RDX domain size. We calibrated the segmentation algorithm using simulated x‐ray CT volumes containing object models of RDX crystals within a TNT matrix. We then segmented and analyzed CT data for Composition B (Comp B), a 60/40 RDX/TNT mixture, and Cyclotol, a 75/25 RDX/TNT mixture. We examined melt‐cast samples fabricated with 100% theoretical maximum density (TMD) and 85% TMD. For the 100% TMD Comp B and Cyclotol samples, the RDX content values calculated by segmentation were 3% and 9% lower, respectively, than the values measured by high‐performance liquid chromatography on material from the same synthesis lots. This result is consistent with the expected underreporting of RDX content resulting from x‐ray CT resolution limits on RDX particles with diameters smaller than 25 µm. The 85% TMD samples were less accurately segmented with our algorithm due to the confounding presence of voids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Neural Algorithms for Low Power Implementation of Partial Differential Equations

The rise of low-power neuromorphic hardware has the potential to change high-performance computing; however much of the focus on brain-inspired hardware has been on machine learning applications. A low-power solution for solving partial differential equations could radically change how we approach large-scale computing in the future. The random walk is a fundamental stochastic process that underlies many numerical tasks in scientific computing applications. We consider here two neural algorithms that can be used to efficiently implement random walks on spiking neuromorphic hardware. The first method tracks the positions of individual walkers independently by using a modular code inspired by grid cells in the brain. The second method tracks the densities of random walkers at each spatial location directly. We present the scaling complexity of each of these methods and illustrate their ability to model random walkers under different probabilistic conditions. Finally, we present implementations of these algorithms on neuromorphic hardware.

97 MATHEMATICS AND COMPUTING↗

Learning infinite-horizon average-reward restless multi-action bandits via index awareness

We consider the online restless bandits with average-reward and multiple actions, where the state of each arm evolves according to a Markov decision process (MDP), and the reward of pulling an arm depends on both the current state of the corresponding MDP and the action taken. Since finding the optimal control is typically intractable for restless bandits, existing learning algorithms are often computationally expensive or with a regret bound that is exponential in the number of arms and states. In this paper, we advocate \textit{index-aware reinforcement learning} (RL) solutions to design RL algorithms operating on a much smaller dimensional subspace by exploiting the inherent structure in restless bandits. Specifically, we first propose novel index policies to address dimensionality concerns, which are provably optimal. We then leverage the indices to develop two low-complexity index-aware RL algorithms, namely, (i) GM-R2MAB, which has access to a generative model; and (ii) UC-R2MAB, which learns the model using an upper confidence style online exploitation method. We prove that both algorithms achieve a sub-linear regret that is only polynomial in the number of arms and states. A key differentiator between our algorithms and existing ones stems from the fact that our RL algorithms contain a novel exploitation that leverages our proposed provably optimal index policies for decision-makings.

Xiong, Guojun↗

Bayesian calibration of terrestrial ecosystem models: A study of advanced Markov chain Monte Carlo methods

Calibration of terrestrial ecosystem models is important but challenging. Bayesian inference implemented by Markov chain Monte Carlo (MCMC) sampling provides a comprehensive framework to estimate model parameters and associated uncertainties using their posterior distributions. The effectiveness and efficiency of the method strongly depend on the MCMC algorithm used. In this study, a Differential Evolution Adaptive Metropolis (DREAM) algorithm was used to estimate posterior distributions of 21 parameters for the data assimilation linked ecosystem carbon (DALEC) model using 14 years of daily net ecosystem exchange data collected at the Harvard Forest Environmental Measurement Site eddy-flux tower. The DREAM is a multi-chain method and uses differential evolution technique for chain movement, allowing it to be efficiently applied to high-dimensional problems, and can reliably estimate heavy-tailed and multimodal distributions that are difficult for single-chain schemes using a Gaussian proposal distribution. The results were evaluated against the popular Adaptive Metropolis (AM) scheme. DREAM indicated that two parameters controlling autumn phenology have multiple modes in their posterior distributions while AM only identified one mode. The calibration of DREAM resulted in a better model fit and predictive performance compared to the AM. DREAM provides means for a good exploration of the posterior distributions of model parameters. Lastly, it reduces the risk of false convergence to a local optimum and potentially improves the predictive performance of the calibrated model.

54 ENVIRONMENTAL SCIENCES↗

Multiobjective optimization of nuclear microreactor reactivity control system operation with swarm and evolutionary algorithms

To improve the marketability of novel microreactor designs, there is a need for automated and optimal control of these reactors. This paper presents a methodology for performing multiobjective optimization of control drum operation for a microreactor under normal and off-nominal conditions. Here, two different case studies are used where the control drum configuration is optimized for the reactor to be critical with some desired power distribution that would satisfy peaking limits. A surrogate model for power distribution is developed based on a feedforward neural network. The process for determining weights for scalarization of the multiobjective optimization problem is also detailed. Six optimization algorithms: evolutionary strategies, differential evolution, grey wolf optimization, Harris hawks optimization, moth flame optimization and particle swarm optimization, are all applied to these cases and the results analyzed. Although all these algorithms will demonstrate optima-seeking behavior, for real-time control it is necessary to identify the best algorithm to efficiently provide reasonable optima without operator interference. The moth flame optimization algorithm was found to perform particularly well on both cases. Overall, it was found that the algorithms capable of supplying the best optima were also the most consistent. Finally, the found optima were verified with the original model used to train surrogates.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Bayesian calibration of terrestrial ecosystem models: a study of advanced Markov chain Monte Carlo methods

Calibration of terrestrial ecosystem models is important but challenging. Bayesian inference implemented by Markov chain Monte Carlo (MCMC) sampling provides a comprehensive framework to estimate model parameters and associated uncertainties using their posterior distributions. The effectiveness and efficiency of the method strongly depend on the MCMC algorithm used. In this work, a differential evolution adaptive Metropolis (DREAM) algorithm is used to estimate posterior distributions of 21 parameters for the data assimilation linked ecosystem carbon (DALEC) model using 14 years of daily net ecosystem exchange data collected at the Harvard Forest Environmental Measurement Site eddy-flux tower. The calibration of DREAM results in a better model fit and predictive performance compared to the popular adaptive Metropolis (AM) scheme. Moreover, DREAM indicates that two parameters controlling autumn phenology have multiple modes in their posterior distributions while AM only identifies one mode. The application suggests that DREAM is very suitable to calibrate complex terrestrial ecosystem models, where the uncertain parameter size is usually large and existence of local optima is always a concern. In addition, this effort justifies the assumptions of the error model used in Bayesian calibration according to the residual analysis. Here, the result indicates that a heteroscedastic, correlated, Gaussian error model is appropriate for the problem, and the consequent constructed likelihood function can alleviate the underestimation of parameter uncertainty that is usually caused by using uncorrelated error models.

54 ENVIRONMENTAL SCIENCES↗

Algorithms and algebraic solutions of decay chain differential equations for stable and unstable nuclide fractionation

Radioactive decay processes, such as alpha decay, produce decay chains where the mass numbers of nuclides decrease as larger nuclides expel energetic particles to form smaller nuclides. Under these conditions, the coefficient matrix that describes the differential rate expressions for radioactive decay can be made lower triangular. With this special structure, formulating an algebraic solution to the decay chains can be done by first formulating the eigenvectors that make up the coefficient matrix, which can then be solved using forward substitution for a lower triangular matrix. This work details the derivation of algebraic solutions for decay chains of any number of stable and unstable nuclides with any number of branching based on this eigenvector analysis. A prototype computational code was developed to validate and compare this methodology against a number of other methods for solving similar systems. A two-phase sorting algorithm yielding the lower triangular matrix structure was established to apply the developed algebraic solutions for decay chains involving beta-emitting radionuclides transformed into daughter nuclides without change in their mass number. In conclusion, the methodologies produced in this work provide an efficient way to estimate nuclide fractions from natural decay processes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A compact digital time differential perturbed angular correlation-spectrometer using field programmable gate arrays and various timestamp algorithms

A user-friendly fully digital time differential perturbed angular correlation (TDPAC)-spectrometer with six detectors and fast digitizers using field programmable gate arrays (FPGA) is described and performance data are given. The new spectrometer has an online data analysis feature, a compact size, and a time resolution such as conventional analog spectrometers. Its calculation intensive part was implemented inside the digitizer. This gives the possibility to change parameters (energy windows, constant fraction trigger delay) and see their influence immediately in the {gamma}-{gamma} correlation diagrams. Tests were performed which showed that the time resolution using a {sup 60}Co source with energy window set at 1.17 MeV and 1.33 MeV is 265 ps with LaBr{sub 3}(Ce) scintillators and 254 ps with BaF{sub 2} scintillators. A true constant fraction algorithm turned out to be slightly better than the constant fraction of amplitude method. The spectrometer performance was tested with a TDPAC measurement using a {sup 44}Ti in rutile source and a positron lifetime measurement using {sup 22}Na. The maximum possible data rate of the spectrometer is 1.1 x 10{sup 6} {gamma} quanta per detector and second.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Exploring the Interplay of Resilience and Energy Consumption for a Task-Based Partial Differential Equations Preconditioner

We discuss algorithm-based resilience to silent data corruption (SDC) in a task- based domain-decomposition preconditioner for partial differential equations (PDEs). The algorithm exploits a reformulation of the PDE as a sampling problem, followed by a solution update through data manipulation that is resilient to SDC. The implementation is based on a server-client model where all state information is held by the servers, while clients are designed solely as computational units. Scalability tests run up to ~ 51 K cores show a parallel efficiency greater than 90%. We use a 2D elliptic PDE and a fault model based on random single bit-flip to demonstrate the resilience of the application to synthetically injected SDC. We discuss two fault scenarios: one based on the corruption of all data of a target task, and the other involving the corruption of a single data point. We show that for our application, given the test problem considered, a four-fold increase in the number of faults only yields a 2% change in the overhead to overcome their presence, from 7% to 9%. We then discuss potential savings in energy consumption via dynamics voltage/frequency scaling, and its interplay with fault-rates, and application overhead.

97 MATHEMATICS AND COMPUTING↗

Performance of New Near-Real-Time PERSIANN Product (PDIR-Now) for Atmospheric River Events over the Russian River Basin, California

Most heavy precipitation events and extreme flooding over the U.S. Pacific coast can be linked to prevalent atmospheric river (AR) conditions. Thus, reliable quantitative precipitation estimation with a rich spatiotemporal resolution is vital for water management and early warning systems of flooding and landslides over these regions. At the same time, high-quality near-real-time measurements of AR precipitation remain challenging due to the complex topographic features of land surface and meteorological conditions of the region: specifically, orographic features occlude radar measurements while infrared-based algorithms face challenges, differentiating between both cold brightband (BB) precipitation and the warmer nonbrightband (NBB) precipitation. It should be noted that the latter precipitation is characterized by greater orographic enhancement. In this study, we evaluate the performance of a recently developed near-real-time satellite precipitation algorithm: Precipitation Estimation from Remotely Sensed Information Using Artificial Neural Networks (PERSIANN) Dynamic Infrared–Rain Rate-Now (PDIR-Now). This model is primarily dependent on infrared information from geostationary satellites as input; consequently, PDIR-Now has the advantage of short data latency, 15–60-min delay between observation to precipitation product delivery. The performance of PDIR-Now is analyzed with a focus on AR-related events for cases dominated by NBB and BB precipitation over the Russian River basin. In our investigations, we utilize S-band (3-GHz) precipitation profilers with Joss/Parsivel disdrometer measurements at the Middletown and Santa Rosa stations to classify BB and NBB precipitation events. In general, our analysis shows that PDIR-Now is more skillful in retrieving precipitation rates over both BB and NBB events across the topologically complex study area as compared to PERSIANN-Cloud Classification System (CCS). Also, we discuss the performance of well-known operational near-real-time precipitation products from 2017 to 2019. Conventional categorical and volumetric categorical indices, as well as continuous statistical metrics, are used to show the differences between various high-resolution precipitation products such as Multi-Radar Multi-Sensor (MRMS).

54 ENVIRONMENTAL SCIENCES↗