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DOE OSTI2024

Probing scrambling and operator size distributions using random mixed states and local measurements

The dynamical spreading of quantum information through a many-body system, typically called scrambling, is a complex process that has proven to be essential to describe many properties of out-of-equilibrium quantum systems. Scrambling can, in principle, be fully characterized via the use of out-of-time-ordered correlation functions, which are notoriously hard to access experimentally. In this work, we put forward an alternative toolbox of measurement protocols to experimentally probe scrambling by accessing properties of the operator size probability distribution, which tracks the size of the support of observables in a many-body system over time. Our measurement protocols require the preparation of separable mixed states together with local operations and measurements, and combine the tools of randomized operations, a modern development of near-term quantum algorithms, with the use of mixed states, a standard tool in NMR experiments. We demonstrate how to efficiently probe the probability-generating function of the operator distribution and discuss the challenges associated with obtaining the moments of the operator distribution. We further show that manipulating the initial state of the protocol allows us to directly obtain the individual elements of the distribution for small system sizes. Published by the American Physical Society 2024

Blocher, Philip Daniel (ORCID:0000000163027567)↗

NASA NTRS2013

SpaceCube Version 1.5

SpaceCube 1.5 is a high-performance and low-power system in a compact form factor. It is a hybrid processing system consisting of CPU (central processing unit), FPGA (field-programmable gate array), and DSP (digital signal processor) processing elements. The primary processing engine is the Virtex- 5 FX100T FPGA, which has two embedded processors. The SpaceCube 1.5 System was a bridge to the SpaceCube 2.0 and SpaceCube 2.0 Mini processing systems. The SpaceCube 1.5 system was the primary avionics in the successful SMART (Small Rocket/Spacecraft Technology) Sounding Rocket mission that was launched in the summer of 2011. For SMART and similar missions, an avionics processor is required that is reconfigurable, has high processing capability, has multi-gigabit interfaces, is low power, and comes in a rugged/compact form factor. The original SpaceCube 1.0 met a number of the criteria, but did not possess the multi-gigabit interfaces that were required and is a higher-cost system. The SpaceCube 1.5 was designed with those mission requirements in mind. The SpaceCube 1.5 features one Xilinx Virtex-5 FX100T FPGA and has excellent size, weight, and power characteristics [4×4×3 in. (approx. = 10×10×8 cm), 3 lb (approx. = 1.4 kg), and 5 to 15 W depending on the application]. The estimated computing power of the two PowerPC 440s in the Virtex-5 FPGA is 1100 DMIPS each. The SpaceCube 1.5 includes two Gigabit Ethernet (1 Gbps) interfaces as well as two SATA-I/II interfaces (1.5 to 3.0 Gbps) for recording to data drives. The SpaceCube 1.5 also features DDR2 SDRAM (double data rate synchronous dynamic random access memory); 4- Gbit Flash for storing application code for the CPU, FPGA, and DSP processing elements; and a Xilinx Platform Flash XL to store FPGA configuration files or application code. The system also incorporates a 12 bit analog to digital converter with the ability to read 32 discrete analog sensor inputs. The SpaceCube 1.5 design also has a built-in accelerometer. In addition, the system has 12 receive and transmit RS- 422 interfaces for legacy support. The SpaceCube 1.5 processor card represents the first NASA Goddard design in a compact form factor featuring the Xilinx Virtex- 5. The SpaceCube 1.5 incorporates backward compatibility with the Space- Cube 1.0 form factor and stackable architecture. It also makes use of low-cost commercial parts, but is designed for operation in harsh environments.

Geist, Alessandro↗

NASA NTRS1982

A statistical model of the photomultiplier gain process with applications to optical pulse detection

A Markov diffusion model was used to determine an approximate probability density for the random gain. This approximate density preserves the correct second-order statistics and appears to be in reasonably good agreement with experimental data. The receiver operating curve for a pulse counter detector of PMT cathode emission events was analyzed using this density. The error performance of a simple binary direct detection optical communication system was also derived.

Tan, H. H.↗

NASA NTRS1982

A statistical model of the photomultiplier gain process with applications to optical pulse detection

Tan, H. H.↗

NASA NTRS2010

Process to Selectively Distinguish Viable from Non-Viable Bacterial Cells

The combination of ethidium monoazide (EMA) and post-fragmentation, randomly primed DNA amplification technologies will enhance the analytical capability to discern viable from non-viable bacterial cells in spacecraft-related samples. Intercalating agents have been widely used since the inception of molecular biology to stain and visualize nucleic acids. Only recently, intercalating agents such as EMA have been exploited to selectively distinguish viable from dead bacterial cells. Intercalating dyes can only penetrate the membranes of dead cells. Once through the membrane and actually inside the cell, they intercalate DNA and, upon photolysis with visible light, produce stable DNA monoadducts. Once the DNA is crosslinked, it becomes insoluble and unable to be fragmented for post-fragmentation, randomly primed DNA library formation. Viable organisms DNA remains unaffected by the intercalating agents, allowing for amplification via post-fragmentation, randomly primed technologies. This results in the ability to carry out downstream nucleic acid-based analyses on viable microbes to the exclusion of all non-viable cells.

LaDuc, Myron T.↗

DOE OSTI2024

A finite difference informed random walker (FDiRW) solver for strongly inhomogeneous diffusion problems

In nature, many complex multi-physics coupling problems exhibit strong diffusivity inhomogeneity. For instance, in the context of radionuclide absorption by porous wasteform materials within a flowing waste stream, the difference of species’ diffusivity in solid and liquid phases spans by 3~8 orders of magnitude. To solve the diffusion equations with strongly inhomogeneous diffusivity, traditional discretization-based methods, such as the Finite Difference Method (FDM), require infinitesimally small time steps (<10 -10 ) as high spatial resolutions are employed in most microstructure evolution processes, leading to prohibitively high computational costs. Here, this work developed an integrated numerical approach (FDiRW: Finite Difference informed Random Walk) to tackle this challenge. The idea is that utilizing the Random Walk concept, the fast diffusion is modeled as a superposition of point source’s solution for a concentration distribution while FDM is used to obtain the point source’s solution at each node. A mesh-coarsening algorithm is developed to generate an exclusive coarse mesh for FDiRW approach to maximize its efficiency. The effectiveness of the coarse mesh-based FDiRW approach is validated by benchmarking Finite Difference solutions. Numerical results demonstrated that FDiRW achieves a remarkable 1000x computational efficiency improvement over FDM while preserving desired accuracy for a medium-sized model of 192 × 192 × 192 grids. Finally, as models scale up, a floating-point operations (PLOPs) analysis of the FDiRW algorithm reveals that its computational complexity grows quadratically in terms of the number of nodes employed in computation.

36 MATERIALS SCIENCE↗

NASA NTRS2004

Digitally Synthesized Phased Antenna for Multibeam Global Positioning

In a system according to the proposed technique, the signal received by each element of the array antenna would be subjected to downconversion, and spread-spectrum demodulation and correlation as necessary; this processing would be performed separately from, and simultaneously with, similar processing of signals received by the other antenna elements. For the GPS implementation, following downconversion to baseband, the signals would be digitized, and all subsequent processing would be digital. In In the digital process, residual carriers would be removed and each signal would be correlated with a locally generated model pseudo random-noise code, all following normal GPS procedure. As part of this procedure, accumulated values would be added in software and the resulting signals would be phase-shifted in software by the amounts necessary to synthesize the desired antenna directional gain pattern of peaks and nulls. The principal advantage of this technique over the conventional radio-frequency-combining technique is that the parallel digital baseband processing of the signals from the various antenna elements would be a relatively inexpensive and flexible means for exploiting the inherent multiple-peak/multiple-null aiming capability of a phased-array antenna. In the original intended GPS application, the peaks and nulls could be directed independently for each GPS signal being tracked by the GPS receiver. This will improve the SNR simultaneously for each GPS signal being tracked while steering multiple nulls toward sources of interference. The technique could also be applied to other code-division multiple-access communication systems.

Charles E Dunn↗

NASA NTRS2004

Digitally synthesized phased antenna for multibeam global positioning

In a system according to the proposed technique (see figure), the signal received by each element of the array antenna would be subjected to downconversion, and spread-spectrum demodulation and correlation as necessary; this processing would be performed separately from, and simultaneously with, similar processing of signals received by the other antenna elements. For the GPS implementation, following downconversion to baseband, the signals would be digitized, and all subsequent processing would be digital. In the digital process, residual carriers would be removed and each signal would be correlated with a locally generated model pseudo random-noise code, all following normal GPS procedure. As part of this procedure, accumulated values would be added in software and the resulting signals would be phase-shifted in software by the amounts necessary to synthesize the desired antenna directional gain pattern of peaks and nulls. The principal advantage of this technique over the conventional radio-frequency-combining technique is that the parallel digital baseband processing of the signals from the various antenna elements would be a relatively inexpensive and flexible means for exploiting the inherent multiple-peak/multiple-null aiming capability of a phased-array antenna. In the original intended GPS application, the peaks and nulls could be directed independently for each GPS signal being tracked by the GPS receiver. This will improve the SNR simultaneously for each GPS signal being tracked while steering multiple nulls toward sources of interference. The technique could also be applied to other code-division multiple-access communication systems.

Dunn, Charles E.↗

DOE OSTI2024

Robust and optimal alignment of high-dimensional data using maximum likelihood estimation through a random sample consensus framework

Abstract Correcting spatial orientations of groups of high-dimensional data sets such that they are all in a consistent coordinate system is often a time-consuming and error-prone process. Automation of this process can be accomplished by using Generalized Procrustes Analysis to estimate the relative orientations among a population of high-dimensional data sets. A least squares Procrustes solution is applied through a maximum likelihood estimation and random sample consensus framework for robustness. The likelihood model is comprised of a mixture distribution where inliers are modeled using t -distribution and outliers from a uniform distribution. Applications will focus on a synthetic data set that emulates triaxial acceleration data and also real shock data from a population of triaxial accelerometers. Outliers represent either non-rigid body responses, environmental noise, and/or sensor and data acquisition issues. The intended application for the methodology is to robustly automate the rotation of populations of experimentally collected triaxial accelerometer data sets to a single global coordinate system.

LOSAC↗

NASA NTRS2018

Robust Bonding Through Process Control

Process control has been proven to be the most reliable means of safeguarding the quality of adhesive bonds according to Federal Aviation Administration (FAA). A method for implementing process control for reduction in risk in a bonded joint fabrication process is demonstrated in this study using a selected bonding system. The stepwise method included risk analysis to identify defects with the highest impact and likelihood to occur, evaluation of various pre-bond surface analysis tools to monitor for the selected defects, and demonstration of the benefits of in-process monitoring utilizing threshold limits determined from bond performance tests. The bonded system selected for investigation was an aerospace carbon fiber epoxy composite substrate surface prepared with random orbital sanding using 180 grit aluminum oxide sand paper. A series of portable, pre-bond surface analysis tools were investigated for their ability to be used for in-line bond process control. Results and threshold limits are presented from roughness, ballistic water contact angle (WCA), color, gloss, and Fourier transform infrared spectroscopy (FTIR) surface analysis tools. Results demonstrated how in-process inspection methods can be used to ensure quality of a surface preparation for a selected bonding system. A framework is provided for implementation of bond process control for robust bonding.

Kutscha, Eileen O.↗

DOE OSTI2021

Model Predictive Fault-Tolerant Tracking Control for PDF Control Systems With Packet Losses

In this article, a fault-tolerant tracking control strategy is investigated for nonlinear probability density function (PDF) control systems with the actuator fault, uncertainties, unknown disturbance, and random packet losses. The control input signal dropout and measurement signal dropouts are described as the independent Bernoulli distribution. An adaptive fault diagnosis (FD) observer based on the Lyapunov function is given to simultaneously estimate the fault, disturbance, and state with packet losses. Furthermore, different from the traditional robust fault-tolerant control (FTC), a new active fault-tolerant tracking controller is designed based on the model predictive control framework, which has better adaptive fault-tolerant performance. Finally, the validity of the proposed FTC method has been proved by a simulation study of a papermaking process.

42 ENGINEERING↗

DOE OSTI2021

Conditioned Simulation of Ground-Motion Time Series at Uninstrumented Sites Using Gaussian Process Regression

Ground-motion time series are essential input data in seismic analysis and performance assessment of the built environment. Because instruments to record free-field ground motions are generally sparse, methods are needed to estimate motions at locations with no available ground-motion recording instrumentation. In this study, given a set of observed motions, ground-motion time series at target sites are constructed using a Gaussian process regression (GPR) approach, which treats the real and imaginary parts of the Fourier spectrum as random Gaussian variables. Model training, verification, and applicability studies are carried out using the physics-based simulated ground motions of the 1906 Mw 7.9 San Francisco earthquake and Mw 7.0 Hayward fault scenario earthquake in northern California. Additionally, the method’s performance is further evaluated using the 2019 Mw 7.1 Ridgecrest earthquake ground motions recorded by the Community Seismic Network stations located in southern California. These evaluations indicate that the trained GPR model is able to adequately estimate the ground-motion time series for frequency ranges that are pertinent for most earthquake engineering applications. The trained GPR model exhibits proper performance in predicting the long-period content of the ground motions as well as directivity pulses.

58 GEOSCIENCES↗

DOE OSTI2018

Finding Maximum Cliques on the D-Wave Quantum Annealer

This work assesses the performance of the D-Wave 2X (DW) quantum annealer for finding a maximum clique in a graph, one of the most fundamental and important NP-hard problems. Because the size of the largest graphs DW can directly solve is quite small (usually around 45 vertices), we also consider decomposition algorithms intended for larger graphs and analyze their performance. For smaller graphs that fit DW, we provide formulations of the maximum clique problem as a quadratic unconstrained binary optimization (QUBO) problem, which is one of the two input types (together with the Ising model) acceptable by the machine, and compare several quantum implementations to current classical algorithms such as simulated annealing, Gurobi, and third-party clique finding heuristics. We further estimate the contributions of the quantum phase of the quantum annealer and the classical post-processing phase typically used to enhance each solution returned by DW. We demonstrate that on random graphs that fit DW, no quantum speedup can be observed compared with the classical algorithms. On the other hand, for instances specifically designed to fit well the DW qubit interconnection network, we observe substantial speed-ups in computing time over classical approaches.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Texture Evolution of Plated Lithium in Anode-Free Solid-State Batteries

Here, this study investigates lithium plating texture in anode-free solid-state batteries using synchrotron-based X-ray diffraction. Conventional methods are limited by lithium’s low electron density and softness, which hinders direct interrogation in anode-free solid-state batteries. Results reveal that lithium plating texture is influenced by temperature and current density. Under mild conditions, lithium exhibited a ⟨110⟩ fiber texture. However, higher current densities and elevated temperatures led to a more randomized orientation, suggesting a dependence on plating conditions. The results highlight how the operating and processing conditions for lithium metal can influence the texture of lithium metal and reversible operation.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Creation of discrete active site domains via mesoporous silica poly(styrene) composite materials for incompatible acid–base cascade reactions

This work highlights the design and synthesis of bifunctional mesoporous silicate – polymer composite dual acid–base supported cascade catalysts. Compartmentalization of the two incompatible active sites is sought by segregating acid sites on the silica surface, and base sites within polymer chains and/or polymer domains. The ability to isolate and segregate active sites via control of the mesoporous silica pore size and polymer molecular weight is probed with silica samples functionalized by a grafting-to process. Supplemental activator and reducing agent (SARA) atom transfer radical polymerization is used to synthesize random copolymers containing protected primary amines. Thiol–ene ‘click’ chemistry facilitates silica functionalization via a convergent approach, with the ene-functionalized polymer end group and silica-grafted thiols forming SBA/MCM-SH-poly(styrene-co-2-(4-vinylbenzyl)isoindoline-1,3-dione). Polymer deprotection and thiol oxidation produces primary amine/sulfonic acid containing composite catalysts. With the polymer supported Lewis base and silica grafted Brønsted acid, the two-step deacetalization – Knoevenagel condensation cascade is explored to assess the ability of these polymer/silica hybrids to segregate active sites, allowing both acid and base site accessibility. Six composite catalysts are synthesized and tested in individual and cascade reactions with kinetic results demonstrating that lower molecular weight SBA-15-P1 and MCM-41-P1 catalysts outperform (higher turnover frequencies and initial rates) their higher molecular weight analogues, as well as a polymer-free system containing molecular active sites dispersed on the silica surface. Higher molecular weight composite catalysts perform more poorly due to limited chain solubility, mass transfer limitations, and poor catalyst accessibility. In many cases, the polymer chains effectively thread into the mesopores, with higher molecular weight polymers leading to pore blockage and inhibited mass transfer.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Differentiation and classification of bacterial endotoxins based on surface enhanced Raman scattering and advanced machine learning

Bacterial endotoxin, a major component of the Gram-negative bacterial outer membrane leaflet, is a lipopolysaccharide shed from bacteria during their growth and infection and can be utilized as a biomarker for bacterial detection. Here, the surface enhanced Raman scattering (SERS) spectra of eleven bacterial endotoxins with an average detection amount of 8.75 pg per measurement have been obtained based on silver nanorod array substrates, and the characteristic SERS peaks have been identified. With appropriate spectral pre-processing procedures, different classical machine learning algorithms, including support vector machine, k-nearest neighbor, random forest, etc., and a modified deep learning algorithm, RamanNet, have been applied to differentiate and classify these endotoxins. It has been found that most conventional machine learning algorithms can attain a differentiation accuracy of >99%, while RamanNet can achieve 100% accuracy. Such an approach has the potential for precise classification of endotoxins and could be used for rapid medical diagnoses and therapeutic decisions for pathogenic infections.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Disentangling direct from indirect relationships in association networks

Networks are vital tools for understanding and modeling interactions in complex systems in science and engineering, and direct and indirect interactions are pervasive in all types of networks. However, quantitatively disentangling direct and indirect relationships in networks remains a formidable task. Here, we present a framework, called iDIRECT (Inference of Direct and Indirect Relationships with Effective Copula-based Transitivity), for quantitatively inferring direct dependencies in association networks. Using copula-based transitivity, iDIRECT eliminates/ameliorates several challenging mathematical problems, including ill-conditioning, self-looping, and interaction strength overflow. With simulation data as benchmark examples, iDIRECT showed high prediction accuracies. Application of iDIRECT to reconstruct gene regulatory networks in Escherichia coli also revealed considerably higher prediction power than the best-performing approaches in the DREAM5 (Dialogue on Reverse Engineering Assessment and Methods project, #5) Network Inference Challenge. In addition, applying iDIRECT to highly diverse grassland soil microbial communities in response to climate warming showed that the iDIRECT-processed networks were significantly different from the original networks, with considerably fewer nodes, links, and connectivity, but higher relative modularity. Further analysis revealed that the iDIRECT-processed network was more complex under warming than the control and more robust to both random and target species removal ( P < 0.001). As a general approach, iDIRECT has great advantages for network inference, and it should be widely applicable to infer direct relationships in association networks across diverse disciplines in science and engineering.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Deep-learning-based image registration for nano-resolution tomographic reconstruction

Nano-resolution full-field transmission X-ray microscopy has been successfully applied to a wide range of research fields thanks to its capability of non-destructively reconstructing the 3D structure with high resolution. Due to constraints in the practical implementations, the nano-tomography data is often associated with a random image jitter, resulting from imperfections in the hardware setup. Without a proper image registration process prior to the reconstruction, the quality of the result will be compromised. Here a deep-learning-based image jitter correction method is presented, which registers the projective images with high efficiency and accuracy, facilitating a high-quality tomographic reconstruction. This development is demonstrated and validated using synthetic and experimental datasets. We report the method is effective and readily applicable to a broad range of applications. Together with this paper, the source code is published and adoptions and improvements from our colleagues in this field are welcomed.

deep learning↗