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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

High-dimensional maximum-entropy phase space tomography using normalizing flows

Particle accelerators generate charged-particle beams with tailored distributions in six-dimensional position-momentum space (phase space). Knowledge of the phase space distribution enables model-based beam optimization and control. In the absence of direct measurements, the distribution must be tomographically reconstructed from its projections. In this paper, we highlight that such problems can be severely underdetermined and that entropy maximization is the most conservative solution strategy. We leverage —invertible generative models—to extend maximum-entropy tomography to six-dimensional phase space and perform numerical experiments to validate the model's performance. Our numerical experiments demonstrate consistency with exact two-dimensional maximum-entropy solutions and the ability to fit complicated six-dimensional distributions to large measurement sets in reasonable time. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
NASA NTRS1979

A dual method for maximum entropy restoration

A simple iterative dual algorithm for maximum entropy image restoration is presented. The dual algorithm involves fewer parameters than conventional minimization in the image space. Minicomputer test results for Fourier synthesis with inadequate phantom data are given.

Smith, C. B.↗
DOE OSTI2014

Possible dynamical explanations for Paltridge's principle of maximum entropy production

Throughout the history of non-equilibrium thermodynamics a number of theories have been proposed in which complex, far from equilibrium flow systems are hypothesised to reach a steady state that maximises some quantity. Perhaps the most celebrated is Paltridge's principle of maximum entropy production for the horizontal heat flux in Earth's atmosphere, for which there is some empirical support. There have been a number of attempts to derive such a principle from maximum entropy considerations. However, we currently lack a more mechanistic explanation of how any particular system might self-organise into a state that maximises some quantity. This is in contrast to equilibrium thermodynamics, in which models such as the Ising model have been a great help in understanding the relationship between the predictions of MaxEnt and the dynamics of physical systems. In this paper we show that, unlike in the equilibrium case, Paltridge-type maximisation in non-equilibrium systems cannot be achieved by a simple dynamical feedback mechanism. Nevertheless, we propose several possible mechanisms by which maximisation could occur. Showing that these occur in any real system is a task for future work. The possibilities presented here may not be the only ones. We hope that by presenting them we can provoke further discussion about the possible dynamical mechanisms behind extremum principles for non-equilibrium systems, and their relationship to predictions obtained through MaxEnt.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

𝑁-dimensional maximum-entropy tomography via particle sampling

We propose a modified maximum-entropy (MENT) algorithm for six-dimensional phase space tomography. The algorithm uses particle sampling and low-dimensional density estimation to approximate large sets of high-dimensional integrals in the original MENT formulation. We implement this approach using Markov Chain Monte Carlo (MCMC) sampling techniques and demonstrate convergence of six-dimensional MENT on both synthetic and measured data.

Hoover, Austin [Oak Ridge National Laboratory (ORN↗
DOE OSTI2022

Investigation of Molecular Diffusion at Block Copolymer Thin Films Using Maximum Entropy Method-Based Fluorescence Correlation Spectroscopy and Single Molecule Tracking

Fluorescence correlation spectroscopy (FCS) has been widely used to investigate molecular diffusion behavior in various samples. The use of the maximum entropy method (MEM) for FCS data analysis provides a unique means to determine multiple distinct diffusion coefficients without a priori assumption of their number. Comparison of the MEM-based FCS method (MEM-FCS) with another method will reveal its utility and advantage as an analytical tool to investigate diffusion dynamics. Herein, we measured diffusion of fluorescent probes doped into nanostructured thin films using MEM-FCS, and validated the results with single molecule tracking (SMT) data. The efficacy of the MEM code employed was first demonstrated by analyzing simulated FCS data for systems incorporating one and two diffusion modes with broadly distributed diffusion coefficients. The MEM analysis accurately afforded the number of distinct diffusion modes and their mean diffusion coefficients. These results contrasted with those obtained by fitting the simulated data to conventional two-component and anomalous diffusion models, which yielded inaccurate estimates of the diffusion coefficients. Subsequently, the MEM analysis was applied to FCS data acquired from hydrophilic dye molecules incorporated into microphase-separated polystyrene-block-poly(ethylene oxide) (PS-b-PEO) thin films characterized under a water-saturated nitrogen atmosphere. The MEM analysis revealed distinct fast and slow diffusion components attributable to molecules diffusing on the film surface and inside the film, respectively. SMT studies of the same materials yielded trajectories for mobile molecules that appear to follow the curved PEO microdomains. Diffusion coefficients obtained from the SMT data were consistent with those obtained for the slow diffusion component detected by MEM-FCS. Furthermore, these results highlight the utility of MEM-FCS and SMT for gaining complementary information on molecular diffusion processes in heterogeneous material systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

A maximum entropy principle for inferring the distribution of 3D plasmoids

The principle of maximum entropy, a powerful and general method for inferring the distribution function given a set of constraints, is applied to deduce the overall distribution of 3D plasmoids (flux ropes/tubes) for systems where resistive MHD is applicable and large numbers of plasmoids are produced. The analysis is undertaken for the 3D case, with mass, total flux, and velocity serving as the variables of interest, on account of their physical and observational relevance. The distribution functions for the mass, width, total flux, and helicity exhibit a power-law behavior with exponents of -4/3, -2, -3, and -2, respectively, for small values, whilst all of them display an exponential falloff for large values. In contrast, the velocity distribution, as a function of v=|v|, is shown to be flat for v→0, and becomes a power law with an exponent of -7/3 for v→∞. Most of these results are nearly independent of the free parameters involved in this specific problem. In conclusion, a preliminary comparison of our results with the observational evidence is presented, and some of the ensuing space and astrophysical implications are briefly discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Modelling bivariate extreme precipitation distribution for data-scarce regions using Gumbel-Hougaard copula with maximum entropy estimation

A new method of parameter estimation in data scarce regions is valuable for bivariate hydrological extreme frequency analysis. Here, this paper proposes a new method of parameter estimation (maximum entropy estimation, MEE) for both Gumbel and Gumbel–Hougaard copula in situations when insufficient data are available. MEE requires only the lower and upper bounds of two hydrological variables. To test our new method, two experiments to model the joint distribution of the maximum daily precipitation at two pairs of stations on the tributaries of Heihe and Jinghe River, respectively, were performed and compared with the method of moments, correlation index estimation, and maximum likelihood estimation, which require a large amount of data. Both experiments show that for the Ye Niugou and Qilian stations, the performance of MEE is nearly identical to those of the conventional methods. For the Xifeng and Huanxian stations, MEE can capture information indicating that the maximum daily precipitation at the Xifeng and Huanxian stations has an upper tail dependence, whereas the results generated by correlation index estimation and maximum likelihood estimation are unreasonable. Moreover, MEE is proved tobe generally reliable and robust by many simulations under three different situations. TheGumbel–Hougaard copula with MEE can also be applied to the bivariate frequency analysis ofother extreme events in data-scarce regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Integrating Maximum Entropy Production Theory and Machine Learning to Improve Global Evapotranspiration Modeling

Accurate estimation of terrestrial evapotranspiration (ET) is vital for understanding global water and energy cycles. However, current global ET estimations are not well constrained. This study introduces an integrated framework combining the Maximum Entropy Production (MEP) theory with Random Forest (RF) model to improve global ET estimation. Specifically, in contrast to direct ET estimation by the RF model, the integrated framework (MEP‐RF) trains to predict error of MEP‐simulated ET. MEP‐RF outperforms RF in spatiotemporal extrapolation. Attribution analysis with in situ observations reveals that the inputs of MEP are the most critical variables for the ET process, including net radiation, vegetated area, soil moisture, and surface temperature. We further drive MEP‐RF with global reanalysis and satellite data sets of these four inputs, yielding a global mean terrestrial ET of 548 mm/year, with 77% attributed to transpiration. The global ET increased at a rate of 0.85 mm/year per year during 2003–2021, primarily due to vegetation greening rather than rising temperature, while decreasing soil moisture led to decreasing regional ET. The integrated framework provides a novel approach for the estimation of global ET without the need for hard‐to‐obtain and thus uncertain inputs, such as wind speed, surface roughness, aerodynamic and canopy stomatal resistance. Therefore, MEP‐RF offers an independent method on existing global ET products. It represents a promising physically based approach that can be incorporated into Earth System Models to enhance water and energy cycle simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Continuity of the maximum-entropy inference: Convex geometry and numerical ranges approach

We study the continuity of an abstract generalization of the maximum-entropy inference—a maximizer. It is defined as a right-inverse of a linear map restricted to a convex body which uniquely maximizes on each fiber of the linear map a continuous function on the convex body. Using convex geometry we prove, amongst others, the existence of discontinuities of the maximizer at limits of extremal points not being extremal points themselves and apply the result to quantum correlations. Further, we use numerical range methods in the case of quantum inference which refers to two observables. One result is a complete characterization of points of discontinuity for 3 × 3 matrices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Halo-independence with quantified maximum entropy at DAMA/LIBRA

Using the DAMA/LIBRA anomaly as an example, we formalise the notion of halo-independence in the context of Bayesian statistics and quantified maximum entropy. We consider an infinite set of possible profiles, weighted by an entropic prior and constrained by a likelihood describing noisy measurements of modulated moments by DAMA/LIBRA. Assuming an isotropic dark matter (DM) profile in the galactic rest frame, we find the most plausible DM profiles and predictions for unmodulated signal rates at DAMA/LIBRA. The entropic prior contains an a priori unknown regularisation factor, β, that describes the strength of our conviction that the profile is approximately Maxwellian. By varying β, we smoothly interpolate between a halo-independent and a halo-dependent analysis, thus exploring the impact of prior information about the DM profile.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Estimation of Evapotranspiration of Amazon Rainforest Using the Maximum Entropy Production Method

Energy budget of Amazonian forests has a large influence on regional and global climate, but relevant data are scarce. A novel energy partition method based on the maximum entropy production (MEP) theory is applied to simulate evapotranspiration in Amazonia. Using site-level eddy flux data, the MEP method shows high skill at the hourly, daily, and monthly scales. Consistent performance under different levels of land surface dryness is revealed, hinting that drought signal is appropriately resolved. The site-level MEP-based estimates outperform the estimates of the Moderate Resolution Imaging Spectroradiometer evapotranspiration product, which is commonly used for large-scale assessments. At the Amazon basin scale, the two series yield similar averages but exhibit spatial differences. The parameter parsimony and demonstrated skill of the MEP method make it an attractive approach for environments with diverse strategies of water flux control.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Reply to “What Is the Maximum Entropy Principle? Comments on ‘Statistical Theory on the Functional Form of Cloud Particle Size Distributions’”

We welcome the opportunity to correct the misunderstandings and misinterpretations contained in Yano’s comment that led him to incorrectly state that Wu and McFarquhar misunderstood the maximum entropy (MaxEnt) principle. As correctly stated by Yano, the principle itself does not suffer from the problem of a lack of invariance. But, as restated in this reply and in Wu and McFarquhar, the commonly used Shannon–Gibbs entropy does suffer from a lack of invariance for coordinate transform when applied in continuous cases, and this problem is resolved by the use of the relative entropy. Further, it is restated that the Wu and McFarquhar derivation of the PSD form using MaxEnt is more general than the formulation by Yano and allows more constraints with any functional relations to be applied. The derivation of Yano is nothing new but the representation of PSDs in other variables.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

Beyond maximum entropy: Fractal pixon-based image reconstruction

We have developed a new Bayesian image reconstruction method that has been shown to be superior to the best implementations of other methods, including Goodness-of-Fit (e.g. Least-Squares and Lucy-Richardson) and Maximum Entropy (ME). Our new method is based on the concept of the pixon, the fundamental, indivisible unit of picture information. Use of the pixon concept provides an improved image model, resulting in an image prior which is superior to that of standard ME.

Puetter, R. C.↗
DOE OSTI2015

Single-particle spectral density of the unitary Fermi gas: Novel approach based on the operator product expansion, sum rules and the maximum entropy method

Making use of the operator product expansion, we derive a general class of sum rules for the imaginary part of the single-particle self-energy of the unitary Fermi gas. The sum rules are analyzed numerically with the help of the maximum entropy method, which allows us to extract the single-particle spectral density as a function of both energy and momentum. These spectral densities contain basic information on the properties of the unitary Fermi gas, such as the dispersion relation and the superfluid pairing gap, for which we obtain reasonable agreement with the available results based on quantum Monte-Carlo simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1994

Beyond maximum entropy: Fractal Pixon-based image reconstruction

We have developed a new Bayesian image reconstruction method that has been shown to be superior to the best implementations of other competing methods, including Goodness-of-Fit methods such as Least-Squares fitting and Lucy-Richardson reconstruction, as well as Maximum Entropy (ME) methods such as those embodied in the MEMSYS algorithms. Our new method is based on the concept of the pixon, the fundamental, indivisible unit of picture information. Use of the pixon concept provides an improved image model, resulting in an image prior which is superior to that of standard ME. Our past work has shown how uniform information content pixons can be used to develop a 'Super-ME' method in which entropy is maximized exactly. Recently, however, we have developed a superior pixon basis for the image, the Fractal Pixon Basis (FPB). Unlike the Uniform Pixon Basis (UPB) of our 'Super-ME' method, the FPB basis is selected by employing fractal dimensional concepts to assess the inherent structure in the image. The Fractal Pixon Basis results in the best image reconstructions to date, superior to both UPB and the best ME reconstructions. In this paper, we review the theory of the UPB and FPB pixon and apply our methodology to the reconstruction of far-infrared imaging of the galaxy M51. The results of our reconstruction are compared to published reconstructions of the same data using the Lucy-Richardson algorithm, the Maximum Correlation Method developed at IPAC, and the MEMSYS ME algorithms. The results show that our reconstructed image has a spatial resolution a factor of two better than best previous methods (and a factor of 20 finer than the width of the point response function), and detects sources two orders of magnitude fainter than other methods.

Puetter, Richard C.↗
NASA NTRS2017

Multi-Group Maximum Entropy Model for Translational Non-Equilibrium

The aim of the current work is to describe a new model for flows in translational non- equilibrium. Starting from the statistical description of a gas proposed by Boltzmann, the model relies on a domain decomposition technique in velocity space. Using the maximum entropy principle, the logarithm of the distribution function in each velocity sub-domain (group) is expressed with a power series in molecular velocity. New governing equations are obtained using the method of weighted residuals by taking the velocity moments of the Boltzmann equation. The model is applied to a spatially homogeneous Boltzmann equation with a Bhatnagar-Gross-Krook1(BGK) model collision operator and the relaxation of an initial non-equilibrium distribution to a Maxwellian is studied using the model. In addition, numerical results obtained using the model for a 1D shock tube problem are also reported.

Entropy↗
DOE OSTI2024

Maximum Entropy Theory of Multiscale Coarse-Graining via Matching Thermodynamic Forces: Application to a Molecular Crystal (TATB)

The MSCG/FM (multiscale coarse-graining via force-matching) approach is an efficient supervised machine learning method to develop microscopically informed coarse-grained (CG) models. Here we present a theory based on the principle of maximum entropy (PME) enveloping the existing MSCG/FM approaches. This theory views the MSCG/FM method as a special case of matching the thermodynamic forces from the extended ensemble described by the set of thermodynamic (relevant) system coordinates. This set may include CG coordinates, the stress tensor, applied external fields, and so forth, and may be characterized by nonequilibrium conditions. Following the presentation of the theory, we discuss the consistent matching of both bonded and nonbonded interactions. The proposed PME formulation is used as a starting point to extend the MSCG/FM method to the constant strain ensemble, which together with the explicit matching of the bonded forces is better suited for coarse-graining anisotropic media at a submolecular resolution. The theory is demonstrated by performing the fine coarse-graining of crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), a well-known insensitive molecular energetic material, which exhibits highly anisotropic mechanical properties.

1,3,5-triamino-2,4,6-trinitrobenzene↗