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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4

A petabyte size electronic library using the N-Gram memory engine

A model library containing petabytes of data is proposed by Triada, Ltd., Ann Arbor, Michigan. The library uses the newly patented N-Gram Memory Engine (Neurex), for storage, compression, and retrieval. Neurex splits data into two parts: a hierarchical network of associative memories that store 'information' from data and a permutation operator that preserves sequence. Neurex is expected to offer four advantages in mass storage systems. Neurex representations are dense, fully reversible, hence less expensive to store. Neurex becomes exponentially more stable with increasing data flow; thus its contents and the inverting algorithm may be mass produced for low cost distribution. Only a small permutation operator would be recalled from the library to recover data. Neurex may be enhanced to recall patterns using a partial pattern. Neurex nodes are measures of their pattern. Researchers might use nodes in statistical models to avoid costly sorting and counting procedures. Neurex subsumes a theory of learning and memory that the author believes extends information theory. Its first axiom is a symmetry principle: learning creates memory and memory evidences learning. The theory treats an information store that evolves from a null state to stationarity. A Neurex extracts information data without a priori knowledge; i.e., unlike neural networks, neither feedback nor training is required. The model consists of an energetically conservative field of uniformly distributed events with variable spatial and temporal scale, and an observer walking randomly through this field. A bank of band limited transducers (an 'eye'), each transducer in a bank being tuned to a sub-band, outputs signals upon registering events. Output signals are 'observed' by another transducer bank (a mid-brain), except the band limit of the second bank is narrower than the band limit of the first bank. The banks are arrayed as n 'levels' or 'time domains, td.' The banks are the hierarchical network (a cortex) and transducers are (associative) memories. A model Neurex was built and studied. Data were 50 MB to 10 GB samples of text, data base, and images: black/white, grey scale, and high resolution in several spectral bands. Memories at td, S(m(sub td)), were plotted against outputs of memories at td-1. S(m(sub td)) was Boltzman distributed, and memory frequencies exhibited self-organized criticality (SOC); i.e., 'l/f(sup beta)' after long exposures to data. Whereas output signals from level n may be encoded with B(sub output) = O(-log(2)f(sup beta)) bits, and input data encoded with B(sub input) = O((S(td)/S(td-1))(sup n)), B(sup output)/B(sub input) is much less than 1 always, the Neurex determines a canonical code for data and it is a lossless data compressor. Further tests are underway to confirm these results with more data types and larger samples.

Bugajski, Joseph M.↗

Particle Markov Chain Monte Carlo Approach to Inference in Transient Surface Kinetics

Here, in this work, we develop a novel Bayesian approach to study the adsorption and desorption of CO onto a Pd(111) surface, a process of great importance in natural sciences. The motivation for this work comes from the recent availability of time-resolved infrared spectroscopy data and the need for model interpretability and uncertainty quantification in chemical processes. The objective is to learn the relevant parameters that characterize the process: coverage with time, rate constants, activation energies, and pre-exponential factors. Our approach consists of three main schemes: (i) a problem design and probabilistic model for the whole system, (ii) a particle Markov chain Monte Carlo sampler to learn the hidden coverages and rate constant parameters, and (iii) two Bayesian formulations to infer the activation energies and pre-exponential factors. The flexibility of the Bayesian framework allows for uncertainty quantification where possible and integration of mathematical constraints in the model to reflect the system physically. We found that our results for the activation energies and pre-exponential factor are in agreement with those reported in the experimental literature, independently, and we provide discussions on the advantages and disadvantages as well as applicability to other systems.

36 MATERIALS SCIENCE↗

Quantum approximate optimization of the long-range Ising model with a trapped-ion quantum simulator

Quantum computers and simulators may offer significant advantages over their classical counterparts, providing insights into quantum many-body systems and possibly improving performance for solving exponentially hard problems, such as optimization and satisfiability. Here, we report the implementation of a low-depth Quantum Approximate Optimization Algorithm (QAOA) using an analog quantum simulator. We estimate the ground-state energy of the Transverse Field Ising Model with long-range interactions with tunable range, and we optimize the corresponding combinatorial classical problem by sampling the QAOA output with high-fidelity, single-shot, individual qubit measurements. We execute the algorithm with both an exhaustive search and closed-loop optimization of the variational parameters, approximating the ground-state energy with up to 40 trapped-ion qubits. We benchmark the experiment with bootstrapping heuristic methods scaling polynomially with the system size. We observe, in agreement with numerics, that the QAOA performance does not degrade significantly as we scale up the system size and that the runtime is approximately independent from the number of qubits. We finally give a comprehensive analysis of the errors occurring in our system, a crucial step in the path forward toward the application of the QAOA to more general problem instances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Analytic solutions of the DGLAP evolution and theoretical uncertainties

The energy dependence for the singlet sector of Parton Distributions Functions (PDFs) is described by an entangled pair of ordinary linear differential equations. Although there are no exact analytic solutions, it is possible to provide approximated results depending on the assumptions and the methodology adopted. These results differ in their sub-leading, neglected terms and ultimately they are associated with different treatments of the theoretical uncertainties. In this work, a novel analytic approach in Mellin space is presented and a new methodology for obtaining closed and exponentiated analytic solutions is devised. Different results for the DGLAP evolution at Next-Leading-Order are compared, discussing advantages and disadvantages for each solution. The generalizations to higher orders are addressed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Implicit model following and parameter identification of unstable aircraft

A transformation in the s-plane is described which has utility in implicit model-following optimal control design application and in estimation or parameter identification problems. The objective of the transformation is, for the control problem, to achieve an unstable closed-loop system, and, for the estimation problem, to alleviate algorithm convergence problems that may arise in identifying unstable systems. For the control problem, the transformation is a shift along the real (sigma) axis of the plant and model poles and zeros. This transformation is shown to be equivalent to a modified performance index but offers the advantage of compatibility with existing optimal control solution algorithms. For the estimation problem, the data are multiplied by an exponential function and the assumed measurement and process noise covariances are appropriately modified. Examples of both control and estimation applications are presented.

Lebacqz, J. V.↗

Theory for Equivariant Quantum Neural Networks

Quantum neural network architectures that have little to no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by creating models encoding the symmetries of the learning task. This is materialized through the usage of equivariant neural networks the action of which commutes with that of the symmetry. In this work, we import these ideas to the quantum realm by presenting a comprehensive theoretical framework to design equivariant quantum neural networks (EQNNs) for essentially any relevant symmetry group. We develop multiple methods to construct equivariant layers for EQNNs and analyze their advantages and drawbacks. Our methods can find unitary or general equivariant quantum channels efficiently even when the symmetry group is exponentially large or continuous. As a special implementation, we show how standard quantum convolutional neural networks (QCNNs) can be generalized to group-equivariant QCNNs where both the convolution and pooling layers are equivariant to the symmetry group. We then numerically demonstrate the effectiveness of a S U ( 2 ) -equivariant QCNN over symmetry-agnostic QCNN on a classification task of phases of matter in the bond-alternating Heisenberg model. Our framework can be readily applied to virtually all areas of quantum machine learning. Lastly, we discuss about how symmetry-informed models such as EQNNs provide hopes to alleviate central challenges such as barren plateaus, poor local minima, and sample complexity. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SPIKANs: separable physics-informed Kolmogorov–Arnold networks

Physics-Informed Neural Networks (PINNs) have emerged as a promising method for solving partial differential equations (PDEs) in scientific computing. While PINNs typically use multilayer perceptrons (MLPs) as their underlying architecture, recent advancements have explored alternative neural network structures. One such innovation is the Kolmogorov–Arnold Network (KAN), which has demonstrated benefits over traditional MLPs, including faster neural scaling and better interpretability. The application of KANs to physics-informed learning has led to the development of Physics-Informed KANs (PIKANs), enabling the use of KANs to solve PDEs. However, despite their advantages, KANs often suffer from slower training speeds, particularly in higher-dimensional problems where the number of collocation points grows exponentially with the dimensionality of the system. To address this challenge, we introduce Separable Physics-Informed Kolmogorov–Arnold Networks (SPIKANs). This novel architecture applies the principle of separation of variables to PIKANs, decomposing the problem such that each dimension is handled by an individual KAN. This approach drastically reduces the computational complexity of training without sacrificing accuracy, facilitating their application to higher-dimensional PDEs. Through a series of benchmark problems, we demonstrate the effectiveness of SPIKANs, showcasing their superior scalability and performance compared to PIKANs and highlighting their potential for solving complex, high-dimensional PDEs in scientific computing.

Kolmogorov-Arnold networks↗

Postselection-Free Entanglement Dynamics via Spacetime Duality

The dynamics of entanglement in 'hybrid' non-unitary circuits (for example, involving both unitary gates and quantum measurements) has recently become an object of intense study. A major hurdle toward experimentally realizing this physics is the need to apply postselection on random measurement outcomes in order to repeatedly prepare a given output state, resulting in an exponential overhead. We propose a method to sidestep this issue in a wide class of non-unitary circuits by taking advantage of spacetime duality. This method maps the purification dynamics of a mixed state under non-unitary evolution onto a particular correlation function in an associated unitary circuit. This translates to an operational protocol which could be straightforwardly implemented on a digital quantum simulator. We discuss the signatures of different entanglement phases, and demonstrate examples via numerical simulations. With minor modifications, the proposed protocol allows measurement of the purity of arbitrary subsystems, which could shed light on the properties of the quantum error correcting code formed by the mixed phase in this class of hybrid dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗

Certifying almost all quantum states with few single-qubit measurements

Certifying that an n -qubit state synthesized in the laboratory is close to a given target state is a fundamental task in quantum information science. However, existing rigorous protocols applicable to general target states have potentially prohibitive resource requirements in the form of either deep quantum circuits or exponentially many single-qubit measurements. Here we prove that almost all n -qubit target states, including those with exponential circuit complexity, can be certified from only O ( n 2 ) single-qubit measurements. Given access to the target state’s amplitudes, our protocol requires only O ( n 3 ) classical computation. This result is established by a technique that relates certification to the mixing time of a random walk. Our protocol has applications for benchmarking quantum systems, for optimizing quantum circuits to generate a desired target state and for learning and verifying neural networks, tensor networks and various other representations of quantum states using only single-qubit measurements. We show that such verified representations can be used to efficiently predict highly non-local properties of a synthesized state that would otherwise require an exponential number of measurements on the state. We demonstrate these applications in numerical experiments with up to 120 qubits and observe an advantage over existing methods such as cross-entropy benchmarking.

information theory and computation↗

Efficient parallel solution of parabolic equations - Implicit methods on the Cedar multicluster

A class of implicit methods for the parallel solution of linear parabolic differential equations based on Pade and Chebyshev rational approximations to the matrix exponential are presented. It is pointed out that this approach incorporates both natural hierarchical parallelism, improved intrinsic efficiency, and fewer timesteps. These advantages lead to an extremely fast family of methods for the solution of certain time-dependent problems. These techniques are illustrated with numerical experiments on the University of Illinois Cedar multicluster architecture. The experiments indicate that implicit methods of very high degree offer great promise for the solution of certain parabolic problems when in computational environment with parallel resources. Hierarchically organized parallel computers, such as the Cedar multicluster, are found to be especially attractive for these schemes.

Gallopoulos, E.↗

Dynamic and single cell characterization of a CRISPR-interference toolset in Pseudomonas putida KT2440 for β-ketoadipate production from p -coumarate

We report Pseudomonas putida KT2440 is a well-studied bacterium for the conversion of lignin-derived aromatic compounds to bioproducts. The development of advanced genetic tools in P. putida has reduced the turnaround time for hypothesis testing and enabled the construction of strains capable of producing various products of interest. Here, we evaluate an inducible CRISPR-interference (CRISPRi) toolset on fluorescent, essential, and metabolic targets. Nuclease-deficient Cas9 (dCas9) expressed with the arabinose (8K)-inducible promoter was shown to be tightly regulated across various media conditions and when targeting essential genes. In addition to bulk growth data, single cell time lapse microscopy was conducted, which revealed intrinsic heterogeneity in knockdown rate within an isoclonal population. The dynamics of knockdown were studied across genomic targets in exponentially-growing cells, revealing a universal 1.75 ± 0.38 hour quiescent phase after induction where 1.5 ± 0.35 doublings occur before a phenotypic response is observed. To demonstrate application of this CRISPRi toolset, β-ketoadipate, a monomer for performance-advantaged nylon, was produced at a 4.39 ± 0.5 g/L and yield of 0.76 ± 0.10 mol/mol from p-coumarate, a hydroxycinnamic acid that can be derived from grasses. These cultivation metrics were achieved by using the higher strength IPTG (1K)-inducible promoter to knockdown the pcaIJ operon in the βKA pathway during early exponential phase. This allowed the majority of the carbon to be shunted into the desired product while eliminating the need for a supplemental carbon and energy source to support growth and maintenance.

59 BASIC BIOLOGICAL SCIENCES↗

Concept For Generation Of Long Pseudorandom Sequences

Conceptual very-large-scale integrated (VLSI) digital circuit performs exponentiation in finite field. Algorithm that generates unusually long sequences of pseudorandom numbers executed by digital processor that includes such circuits. Concepts particularly advantageous for such applications as spread-spectrum communications, cryptography, and generation of ranging codes, synthetic noise, and test data, where usually desirable to make pseudorandom sequences as long as possible.

Wang, C. C.↗

Diagnosing Barren Plateaus with Tools from Quantum Optimal Control

Variational Quantum Algorithms (VQAs) have received considerable attention due to their potential for achieving near-term quantum advantage. However, more work is needed to understand their scalability. One known scaling result for VQAs is barren plateaus, where certain circumstances lead to exponentially vanishing gradients. It is common folklore that problem-inspired ansatzes avoid barren plateaus, but in fact, very little is known about their gradient scaling. In this work we employ tools from quantum optimal control to develop a framework that can diagnose the presence or absence of barren plateaus for problem-inspired ansatzes. Such ansatzes include the Quantum Alternating Operator Ansatz (QAOA), the Hamiltonian Variational Ansatz (HVA), and others. With our framework, we prove that avoiding barren plateaus for these ansatzes is not always guaranteed. Specifically, we show that the gradient scaling of the VQA depends on the degree of controllability of the system, and hence can be diagnosed through the dynamical Lie algebra $\mathfrak{g}$ obtained from the generators of the ansatz. We analyze the existence of barren plateaus in QAOA and HVA ansatzes, and we highlight the role of the input state, as different initial states can lead to the presence or absence of barren plateaus. Taken together, our results provide a framework for trainability-aware ansatz design strategies that do not come at the cost of extra quantum resources. Moreover, we prove no-go results for obtaining ground states with variational ansatzes for controllable system such as spin glasses. Our work establishes a link between the existence of barren plateaus and the scaling of the dimension of $\mathfrak{g}$.

97 MATHEMATICS AND COMPUTING↗

Coding tradeoffs for improved performance of FH/MFSK systems in partial band noise

Partial band noise jamming can severely degrade the performance of frequency-hopped, M-ary frequency-shift keyed communciation systems. This paper illustrates the tradeoffs between channel coding, diversity, and block orthogonal (MFSK) modulation as a means of overcoming the advantage of worst case, non-adaptive (as opposed to repeat-back) partial band jamming. For ease of computation, the analysis relies on exponentially tight error bounds, and is based on a noncoherent detection metric that requires jamming state information for each hop. A more robust, less complex receiver structure which eliminates the jamming knowledge requirement is shown to degrade performance less than 2-1/2 dB. The coding tradeoffs discussed in this report are exemplified in the design of a hypothetical 32 kb/s military frequency-hopped communication link.

Levitt, B. K.↗

A Methodology for Actuating RCS Jets in a Continuous, Time-Accurate CFD Simulation

Computational fluid dynamics simulations of Mars entry vehicle reaction control systems have been used to gain a better understanding of the wide range of flow phenomena encountered during various phases of flight. One aspect of this is simulating the system during controlled flight. Current practices model the system in a continuously actuated state, but this methodology is unable to accurately model the dynamic behavior of the system during EDL. One method to improve this is to create a coupled CFD-RBD-Control simulation. The first step to this is establishing a method of accurately actuating an RCS jet during a time accurate CFD simulation. This paper presents a method to achieve this actuation. There are three phases to the methodology: establishing the off state, creating a ramping function that will initialize the jet flow, and establishing the on state. A test case of a jet in a supersonic crossflow is implemented to establish the success of the methodology in being able to actuate a jet in the midst of an ongoing CFD simulation. It shows significant improvement in boundary condition responsiveness for linear and exponential ramping functions in comparison to the step function. A preliminary demonstration of the methodology is presented for the MSL vehicle which shows significant advantages for the implementation of a linear ramping function over a step function.

Alexandra Hickey↗

A Methodology for Actuating RCS Jets in a Continuous, Time-Accurate CFD Simulation

Computational fluid dynamics simulations of Mars entry vehicle reaction control systems have been used to gain a better understanding of the wide range of flow phenomena encountered during various phases of flight. One aspect of this is simulating the system during controlled flight. Current practices model the system in a continuously actuated state, but this methodology is unable to accurately model the dynamic behavior of the system during EDL. One method to improve this is to create a coupled CFD-RBD-Control simulation. The first step to this is establishing a method of accurately actuating an RCS jet during a time accurate CFD simulation. This paper presents a method to achieve this actuation. There are three phases to the methodology: establishing the off state, creating a ramping function that will initialize the jet flow, and establishing the on state. A test case of a jet in a supersonic crossflow is implemented to establish the success of the methodology in being able to actuate a jet in the midst of an ongoing CFD simulation. It shows significant improvement in boundary condition responsiveness for linear and exponential ramping functions in comparison to the step function. A preliminary demonstration of the methodology is presented for the MSL vehicle which shows significant advantages for the implementation of a linear ramping function over a step function.

Alexandra Hickey↗

Numerical evidence against advantage with quantum fidelity kernels on classical data

Quantum machine learning techniques are commonly considered one of the most promising candidates for demonstrating practical quantum advantage. In particular, quantum kernel methods have been demonstrated to be able to learn certain classically intractable functions efficiently if the kernel is well aligned with the target function. In the more general case, quantum kernels are known to suffer from exponential “flattening” of the spectrum as the number of qubits grows, preventing generalization and necessitating the control of the inductive bias by hyperparameters. We show that the general-purpose hyperparameter-tuning techniques proposed to improve the generalization of quantum kernels lead to the kernel becoming well approximated by a classical kernel, removing the possibility of quantum advantage. We provide extensive numerical evidence for this phenomenon utilizing multiple previously studied quantum feature maps and both synthetic and real data. Our results show that unless novel techniques are developed to control the inductive bias of quantum kernels, they are unlikely to provide a quantum advantage on classical data that lacks special structure.

Quantum Information, Science & Technology↗

Progress toward favorable landscapes in quantum combinatorial optimization

The performance of variational quantum algorithms relies on the success of using quantum and classical computing resources in tandem. Here, we study how these quantum and classical components interrelate. In particular, we focus on algorithms for solving the combinatorial optimization problem MaxCut, and study how the structure of the classical optimization landscape relates to the quantum circuit used to evaluate the MaxCut objective function. In order to analytically characterize the impact of quantum features on the critical points of the landscape, we consider a family of quantum circuit ansätze composed of mutually commuting elements. We identify multiqubit operations as a key resource and show that overparameterization allows for obtaining favorable landscapes. Namely, we prove that an ansatz from this family containing exponentially many variational parameters yields a landscape free of local optima for generic graphs. However, we further prove that these ansätze do not offer superpolynomial advantages over purely classical MaxCut algorithms. Here, we then present a series of numerical experiments illustrating that noncommutativity and entanglement are important features for improving algorithm performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗