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Characterizations of linear sufficient statistics

A necessary and sufficient condition is developed such that there exists a continous linear sufficient statistic T for a dominated collection of totally finite measures defined on the Borel field generated by the open sets of a Banach space X. In particular, corollary necessary and sufficient conditions are given so that there exists a rank K linear sufficient statistic T for any finite collection of probability measures having n-variate normal densities. In this case a simple calculation, involving only the population means and covariances, determines the smallest integer K for which there exists a rank K linear sufficient statistic T (as well as an associated statistic T itself).

Peters, B. C., Jr.↗

Characterizations of linear sufficient statistics

A surjective bounded linear operator T from a Banach space X to a Banach space Y must be a sufficient statistic for a dominated family of probability measures defined on the Borel sets of X. These results were applied, so that they characterize linear sufficient statistics for families of the exponential type, including as special cases the Wishart and multivariate normal distributions. The latter result was used to establish precisely which procedures for sampling from a normal population had the property that the sample mean was a sufficient statistic.

Peters, B. C., Jr.↗

Sufficient Statistics: an Example

The feature selection problem is considered resulting from the transformation x = Bz where B is a k by n matrix of rank k and k is or = to n. Such a transformation can be considered to reduce the dimension of each observation vector z, and in general, such a transformation results in a loss of information. In terms of the divergence, this information loss is expressed by the fact that the average divergence D sub B computed using variable x is less than or equal to the average divergence D computed using variable z. If D sub B = D, then B is said to be a sufficient statistic for the average divergence D. If B is a sufficient statistic for the average divergence, then it can be shown that the probability of misclassification computed using variable x (of dimension k is or = to n) is equal to the probability of misclassification computed using variable z. Also included is what is believed to be a new proof of the well known fact that D is or = to D sub B. Using the techniques necessary to prove the above fact, it is shown that the Brattacharyya distance as measured by variable x is less than or equal to the Brattacharyya distance as measured by variable z.

Quirein, J.↗

Sufficient Statistics for Divergence and the Probability of Misclassification

One particular aspect is considered of the feature selection problem which results from the transformation x=Bz, where B is a k by n matrix of rank k and k is or = to n. It is shown that in general, such a transformation results in a loss of information. In terms of the divergence, this is equivalent to the fact that the average divergence computed using the variable x is less than or equal to the average divergence computed using the variable z. A loss of information in terms of the probability of misclassification is shown to be equivalent to the fact that the probability of misclassification computed using variable x is greater than or equal to the probability of misclassification computed using variable z. First, the necessary facts relating k-dimensional and n-dimensional integrals are derived. Then the mentioned results about the divergence and probability of misclassification are derived. Finally it is shown that if no information is lost (in x = Bz) as measured by the divergence, then no information is lost as measured by the probability of misclassification.

Quirein, J.↗

The ongoing need for high-resolution regional climate models: Process understanding and stakeholder information

Regional climate modeling addresses our need to understand and simulate climatic processes and phenomena unresolved in global models. High resolution models are generally more skillful in simulating extremes, such as heavy precipitation, strong winds, and severe storms. In addition, research has shown that fine-scale features such as mountains, coastlines, lakes, irrigation, land use, and urban heat islands can substantially influence a region’s climate and its response to changing forcings. Regional climate simulations explicitly simulating convection are now being performed, providing an opportunity to illuminate new physical behavior that previously was represented by parameterizations with large uncertainties. Regional and global models are both advancing toward higher resolution, as computational capacity increases. However, the resolution and ensemble size necessary to produce a sufficient statistical sample of these processes in global models has proven too costly for contemporary supercomputing systems. Regional climate models are thus indispensable tools that complement global models for understanding regional climate variability and change, and are critical for supporting societal responses to changing climate.

Gutowski, William↗

Hydrodynamic fluctuations near a Hopf bifurcation: Stochastic onset of vortex shedding behind a circular cylinder

Here, we investigate hydrodynamic fluctuations in the flow past a circular cylinder near the critical Reynolds number Re c for the onset of vortex shedding. Starting from the fluctuating Navier-Stokes equations, we perform a perturbation expansion around Re c to derive analytical expressions for the statistics of the fluctuating lift force. Molecular-level simulations using the direct simulation Monte Carlo method support the theoretical predictions of the lift power spectrum and amplitude distribution. Notably, we have been able to collect sufficient statistics at distances Re ⁡/ Re c – 1 = O ⁡(10 –3 ) from the instability that confirm the appearance of non-Gaussian fluctuations, and we observe that they are associated with intermittent vortex shedding. These results emphasize how unavoidable thermal-noise-induced fluctuations become dramatically amplified in the vicinity of oscillatory flow instabilities and that their onset is fundamentally stochastic.

42 ENGINEERING↗

Free-Energy Calculations. A Mathematical Perspective

Ion channels are pore-forming assemblies of transmembrane proteins that mediate and regulate ion transport through cell walls. They are ubiquitous to all life forms. In humans and other higher organisms they play the central role in conducting nerve impulses. They are also essential to cardiac processes, muscle contraction and epithelial transport. Ion channels from lower organisms can act as toxins or antimicrobial agents, and in a number of cases are involved in infectious diseases. Because of their important and diverse biological functions they are frequent targets of drug action. Also, simple natural or synthetic channels find numerous applications in biotechnology. For these reasons, studies of ion channels are at the forefront of biophysics, structural biology and cellular biology. In the last decade, the increased availability of X-ray structures has greatly advanced our understanding of ion channels. However, their mechanism of action remains elusive. This is because, in order to assist controlled ion transport, ion channels are dynamic by nature, but X-ray crystallography captures the channel in a single, sometimes non-native state. To explain how ion channels work, X-ray structures have to be supplemented with dynamic information. In principle, molecular dynamics (MD) simulations can aid in providing this information, as this is precisely what MD has been designed to do. However, MD simulations suffer from their own problems, such as inability to access sufficiently long time scales or limited accuracy of force fields. To assess the reliability of MD simulations it is only natural to turn to the main function of channels - conducting ions - and compare calculated ionic conductance with electrophysiological data, mainly single channel recordings, obtained under similar conditions. If this comparison is satisfactory it would greatly increase our confidence that both the structures and our computational methodologies are sufficiently accurate. Channel conductance, defined as the ratio of ionic current through the channel to applied voltage, can be calculated in MD simulations by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. If the current is small, a voltage significantly higher than the experimental one needs to be applied to collect sufficient statistics of ion crossing events. Then, the calculated conductance has to be extrapolated to the experimental voltage using procedures of unknown accuracy. Instead, we propose an alternative approach that applies if ion transport through channels can be described with sufficient accuracy by the one-dimensional diffusion equation in the potential given by the free energy profile and applied voltage. Then, it is possible to test the assumptions of the equation, recover the full voltage/current dependence, determine the reliability of the calculated conductance and reconstruct the underlying (equilibrium) free energy profile, all from MD simulations at a single voltage. We will present the underlying theory, model calculations that test this theory and simulations on ion conductance through a channel that has been extensively studied experimentally. To our knowledge this is the first case in which the complete, experimentally measured dependence of the current on applied voltage has been reconstructed from MD simulations.

free energy↗

Weighting Statistical Inputs for Data Used to Support Effective Decision Making During Severe Emergency Weather and Environmental Events

National Aeronautical and Space Administration (NASA) weather and atmospheric environmental organizations are insatiable consumers of geophysical, hydrometeorological and solar weather statistics. The expanding array of internet-worked sensors producing targeted physical measurements has generated an almost factorial explosion of near real-time inputs to topical statistical datasets. Normalizing and value-based parsing of such statistical datasets in support of time-constrained weather and environmental alerts and warnings is essential, even with dedicated high-performance computational capabilities. What are the optimal indicators for advanced decision making? How do we recognize the line between sufficient statistical sampling and excessive, mission destructive sampling ? How do we assure that the normalization and parsing process, when interpolated through numerical models, yields accurate and actionable alerts and warnings? This presentation will address the integrated means and methods to achieve desired outputs for NASA and consumers of its data.

Gardner, Adrian↗

A Methodology for Determining Statistical Performance Compliance for Airborne Doppler Radar with Forward-Looking Turbulence Detection Capability

The objective of the research developed and presented in this document was to statistically assess turbulence hazard detection performance employing airborne pulse Doppler radar systems. The FAA certification methodology for forward looking airborne turbulence radars will require estimating the probabilities of missed and false hazard indications under operational conditions. Analytical approaches must be used due to the near impossibility of obtaining sufficient statistics experimentally. This report describes an end-to-end analytical technique for estimating these probabilities for Enhanced Turbulence (E-Turb) Radar systems under noise-limited conditions, for a variety of aircraft types, as defined in FAA TSO-C134. This technique provides for one means, but not the only means, by which an applicant can demonstrate compliance to the FAA directed ATDS Working Group performance requirements. Turbulence hazard algorithms were developed that derived predictive estimates of aircraft hazards from basic radar observables. These algorithms were designed to prevent false turbulence indications while accurately predicting areas of elevated turbulence risks to aircraft, passengers, and crew; and were successfully flight tested on a NASA B757-200 and a Delta Air Lines B737-800. Application of this defined methodology for calculating the probability of missed and false hazard indications taking into account the effect of the various algorithms used, is demonstrated for representative transport aircraft and radar performance characteristics.

Bowles, Roland L.↗

Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state

We aim to improve upon the variational Monte Carlo (VMC) approach for excitations replacing the Jastrow factor by an auxiliary bosonic (AB) ground state and multiplying it by a fermionic component factor. The instantaneous change in imaginary time of an arbitrary excitation in the original interacting fermionic system is obtained by measuring observables via the ground-state distribution of walkers of an AB system that is subject to an auxiliary effective potential. The effective potential is used to (i) drive the AB system’s ground-state configuration space toward the configuration space of the excitations of the original fermionic system and (ii) subtract from a diffusion Monte Carlo (DMC) calculation contributions that can be included in conventional approximations, such as mean-field and configuration interaction (CI) methods. In this novel approach, the AB ground state is treated statistically in DMC, whereas the fermionic component of the original system is expanded in a basis. The excitation energies of the fermionic eigenstates are obtained by sampling a fermion–boson coupling term on the AB ground state. We show that this approach can take advantage of and correct for approximate eigenstates obtained via mean-field calculations or truncated interactions. We demonstrate that the AB ground-state factor incorporates the correlations missed by standard Jastrow factors, further reducing basis truncation errors. Relevant parts of the theory have been tested in soluble model systems and exhibit excellent agreement with exact analytical data and CI and VMC approaches. In particular, for limited basis set expansions and sufficient statistics, AB approaches outperform CI and VMC in terms of basis size for the same systems. The implementation of this method in current codes, despite being demanding, will be facilitated by reusing procedures already developed for calculating ground-state properties with DMC and excitations with VMC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Photometric redshift estimation with convolutional neural networks and galaxy images: Case study of resolving biases in data-driven methods

Deep-learning models have been increasingly exploited in astrophysical studies, but these data-driven algorithms are prone to producing biased outputs that are detrimental for subsequent analyses. In this work, we investigate two main forms of biases: class-dependent residuals, and mode collapse. We do this in a case study, in which we estimate photometric redshift as a classification problem using convolutional neural networks (CNNs) trained with galaxy images and associated spectroscopic redshifts. We focus on point estimates and propose a set of consecutive steps for resolving the two biases based on CNN models, involving representation learning with multichannel outputs, balancing the training data, and leveraging soft labels. The residuals can be viewed as a function of spectroscopic redshift or photometric redshift, and the biases with respect to these two definitions are incompatible and should be treated individually. We suggest that a prerequisite for resolving biases in photometric space is resolving biases in spectroscopic space. Experiments show that our methods can better control biases than benchmark methods, and they are robust in various implementing and training conditions with high-quality data. Our methods hold promises for future cosmological surveys that require a good constraint of biases, and they may be applied to regression problems and other studies that make use of data-driven models. Nonetheless, the bias-variance tradeoff and the requirement of sufficient statistics suggest that we need better methods and optimized data usage strategies.

79 ASTRONOMY AND ASTROPHYSICS↗

Measurements of short-lived fission product yields from photofission of 238 U using 13.0 MeV monoenergetic photons

Photon-induced fission product yield (FPY) measurements were conducted on the isotope 238U. Fission was induced using Eγ = 13.0 MeV monoenergetic photons produced by the Triangle Universities Nuclear Laboratory’s (TUNL’s) High Intensity γ-ray Source (HIγS) facility. Short-lived FPYs were measured by performing cyclic activation of the sample using a rapid target transfer system. Following activation, the 238U target was rapidly (0.4 s) transferred to a counting station consisting of two well-shielded high-purity germanium (HPGe) detectors. The irradiation-counting cycle was repeated until the summed data had sufficient statistical accuracy. Twenty-eight unique fission products with half-lives ranging from 1 s to 450 s were identified, and their cumulative FPYs determined. Furthermore, the results are compared with previous independent FPY measurements using inverse kinematics. Good agreement between the data sets is found despite the different excitation energy distributions of the fissioning nucleus in the experiments.

Physics - Nuclear physics and radiation physics↗

Anapole moment of neutrinos and radioactive sources near liquid xenon detectors

We show that placing a radioactive source such as 51 Cr near a liquid xenon detector may allow us to detect the contribution induced by the anapole moment to neutrino-electron scattering in the Standard Model (SM) at the 1 − 2⁢𝜎 level. Although the anapole moment of neutrinos induces a scattering rate with the same spectral shape as the neutral and charged current contributions, exposures of ∼ 60 ton × source run at XENONnT or XLZD may be enough to accumulate sufficient statistics for a detection. We also discuss a simple model where the anapole moment of neutrinos is enhanced or decreased with respect to the SM expectation, further demonstrating how a potential measurement of the anapole moment of neutrinos would allow us to constrain new physics.

dark matter direct detection↗

Imaging Bragg Edge Analysis TooLs for Engineering Structures (iBeatles)

The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) provides pulsed neutrons with energies varying from epithermal to cold. In preparation for VENUS, the neutron imaging beamline to be located at beam port 10, we have performed a series of experiments focused on wavelength-dependent radiography and computed tomography for a broad range of applications, from materials science to biological tissues.One of the time-of-flight (TOF) techniques that is of interest to the scientific community is the 2-dimensional mapping of phases and average crystalline plane orientation in samples both ex-situ and during applied stresses such as tensile loading and heating. This technique is known as Bragg edgeimaging and relies on the identification of changes of transmission values, fitting of the edge to measure its displacement, and thus identify the shift in lattice parameter due to stresses. One of the challenges of TOF imaging measurements is the amount of data and the inability to observe Bragg edge shifts in real time during an experiment. Thus, we have been focusing on creating a Python-based interface that allows fast data processing and instantaneous mapping and fitting of the Bragg edges, and their evolution through time. Python libraries and Jupyter notebooks have been implemented to facilitate decision making during an experiment. The advantage of the notebooks is the possibility to guide an experiment as they can quickly process and display Bragg edge data. These notebooks can be used independently, or can be combined in a Python Graphical User Interface (GUI) tool called iBeatles. This interface permits visualization and fitting of the Bragg edges, and ultimately back-projects the fitting results onto the radiographs to display a strain map. Assuming data collection has sufficient statistics, the strain mapping analysis can be performed on a pixel-by-pixel basis. This development is a step forward toward a better user experience at the future VENUS beamline in terms of live feedback and productivity. Analysis that used to take days of switching between different applications can now be done in minutes within the

Bilheux, JeanChristophe [Oak Ridge National Labora↗

Convective and Turbulent Motions in Nonprecipitating Cu. Part III: Characteristics of Turbulence Motions

Velocity field in a nonprecipitating Cu under BOMEX conditions, simulated by SAM with 10-m resolution and spectral bin microphysics is separated into the convective part and the turbulent part, using a wavelet filtering. In Part II of the study properties of convective motions of this Cu were investigated. Here in Part III of the study, the parameters of cloud turbulence are calculated in the cloud updraft zone at different stages of cloud development. The main points of this study are (i) application of a fine-scale LES model of a single convective cloud allowed a direct estimation of turbulence parameters using the resolved flow in the cloud and (ii) the separation of the resolved flow into the turbulence flow and the nonturbulence flow allowed us to estimate different turbulent parameters with sufficient statistical accuracy. We calculated height and time dependences of the main turbulent parameters such as turbulence kinetic energy (TKE), spectra of TKE, dissipation rate, and the turbulent coefficient. It was found that the main source of turbulence in the cloud is buoyancy whose contribution is described by the buoyancy production term (BPT). The shear production term (SPT) increases with height and reaches its maximum near cloud top, and so does BPT. In agreement with the behavior of BPT and SPT, turbulence in the lower cloud part (below the inversion level) is weak and hardly affects the processes of mixing and entrainment. The fact that BPT is larger than SPT determines many properties of cloud turbulence. For instance, the turbulence is nonisotropic, so the vertical component of TKE is substantially larger than the horizontal components. Another consequence of the fact that BPT is larger than STP manifests itself in the finding that the turbulence spectrum largely obeys the -11/5 Bolgiano–Obukhov scaling. The classical Kolmogorov -5/3 scaling dominates for the low part of a cloud largely at the dissolving stage of cloud evolution. Using the spectra obtained we evaluated an “effective” dissipation rate which increases with height from nearly zero at cloud base up to 20 cm 2 s -3 near cloud top. The coefficient of turbulent diffusion was found to increase with height and ranged from 5 m 2 s -1 near cloud base to 25 m 2 s -1 near cloud top. In conclusion, the possible role of turbulence in the process of lateral entrainment and mixing is discussed.

54 ENVIRONMENTAL SCIENCES↗