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At least 685 records · Page 38

Inverse Analysis with Variational Autoencoders: A Comparison of Shallow and Deep Networks

Inverse problems are applied to determine unknown properties by matching observational data with a physical model that often takes many parameters as input. To overcome the underconstrained nature of inverse problems and achieve good performance, an approach is presented involving regularization with a technique known as a variational autoencoder (VAE), which is trained to map a high-dimensional parameter space with a complex structure to a low-dimensional latent space with a simple structure. We apply this approach to unconditioned realizations of the parameters (heterogeneous hydraulic fields) for a hydrogeological inverse problem. Two types of hydraulic conductivity fields are used to evaluate the characterization for the different levels of heterogeneity complexity of the physical inputs. This approach keeps the computational cost of generating the training data low. The reason is unconditioned realizations neither rely on the observational data used to perform the inverse analysis nor require any groundwater flow model forward runs. In addition, this approach applies regularization on a low-dimensional latent space from the VAE and increases optimization efficiency through automatic differentiation. Furthermore, two different neural network (NN) structures are tested for their utility in using the VAE for inverse analysis. The performance of a deep, convolutional neural network strongly depends on the dimensionality of the latent space, which requires tuning. In contrast, a shallow, dense neural network provides consistently accurate characterization without tuning. Furthermore, our approach evaluates the advantages of the shallow, dense neural network over the deep, convolutional one and enables future application to a wide range of inverse problems.

97 MATHEMATICS AND COMPUTING↗

Parametric model-order-reduction development for unsteady convection

A time-averaged error indicator with POD- h Greedy is developed to drive parametric model order reduction (pMOR) for 2D unsteady natural convection in a high-aspect ratio slot parameterized with the Prandtl number, Rayleigh number, and slot angle with respect to the gravity. The error indicator is extended to accommodate the energy equation and Leray regularization. Despite being two-dimensional and laminar, the target flow regime presents several challenges: 1) there is a bifurcation in the angle parameter space; 2) the solution can be multivalued, even at steady state; and 3) the solution exhibits spatio-temporal chaos at several points in the parameter space. The authors explore several reduced-order models (ROMs) and demonstrate that Leray-regularized Galerkin ROMs provide a robust solution approach for this class of flows. They further demonstrate that error-indicated pMOR can efficiently predict several QOIs, such as mean flow, mean Nusselt number and mean turbulent kinetic energy, even in the presence of a bifurcation. Finally, they show that spatio-temporal chaos can lead to lack of reproducibility in both the full-order model and the reduced-order model and that the variance in the full-order model provides a lower bound on the pMOR error in these cases.

leray regularization↗

A Bound- and Equality-Constrained Quadratic Programming Method for Image Reconstruction

Image deblurring is modeled as an ill-posed, linear inverse problem and can be written in terms of an optimization problem. By adding bound and equality constraints and/or penalty terms to the objective function, the problem is regularized and a viable solution exists; however, there are few methods available for solving such constrained problems. Here we formulate two regularized solutions into constrained optimization problems and adapt an iterative augmented Lagrangian solver. Results are shown on synthetic data in one- and two-dimensions, as well as on a radiograph used to calibrate the transmission curve of a pulsed power X-ray source at a U.S. Department of Energy radiography facility.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Tremor–genic slow slip regions may be deeper and warmer and may slip slower than non–tremor–genic regions

The slow slip events (SSEs) are observed worldwide and often coincide with tectonic tremor. Notable examples of SSEs lacking observed tectonic tremor, however, occur beneath Kilauea Volcano, Hawaii, the Boso Peninsula, Japan, {near San Juan Bautista on the San Andreas Fault, California, and recently in Central Ecuador. These SSEs are similar to other worldwide SSEs in many ways (e.g., size or duration), but lack the concurrent tectonic tremor observed elsewhere; instead they trigger swarms of regular earthquakes. We investigate the physical conditions that may distinguish these non-tremor-genic SSEs from those associated with tectonic tremor including: slip velocity, pressure, temperature, fluids and fault asperities, although we cannot eliminate the possibility that tectonic tremor may be obscured in highly attenuating regions. Slip velocities of SSEs at Kilauea Volcano (~10⁻⁶ m/s) and Boso Peninsula (~10⁻⁷ m/s) are among the fastest SSEs worldwide. Kilauea Volcano, the Boso Peninsula and Central Ecuador are also among the shallowest SSEs worldwide, and thus have lower confining pressures and cooler temperatures in their respective slow slip zones. {Fluids also likely contribute to tremor generation, and no corresponding zone of high v p /v s has been noted at Kilauea or Boso. We suggest that the relatively faster slip velocities at Kilauea Volcano and the Boso Peninsula result from specific physical conditions that may also be responsible for triggering swarms of regular earthquakes adjacent to the slow slip, while different conditions produce slower SSE velocities elsewhere and trigger tectonic tremor.

58 GEOSCIENCES↗

An extended JBN method of determining unsteady-state two-phase relative permeability

Relative permeability is the reduction of permeability of porous media when subjected to multiphase flow and a key parameter in subsurface hydrology. The JBN method is a well-known method of obtaining relative permeability, which measures the overall pressure drop and the effluent phase ratio versus time during two-phase displacements. By assuming no capillary pressure or gravity, the JBN method obtains the relative permeabilities to both phases at the core outlet. Since data across a range of saturations are acquired in a relatively short time, this method is widely used. This work extends the JBN method by having (1) section-wise pressure drop measurements between the core inlet, four pressure taps on the core and the outlet, (2) local saturation measurements, and (3) local phase fluxes. With these data, the extended JBN method can determine relative permeabilities to both phases at each pressure tap of the core (not just at the core outlet). The JBN extension is shown using a data set where CO 2 invades a brine-filled core. From this it is found that the advantages of the extended JBN method over the regular JBN method are: (1) four times more data are obtained, and (2) data are more accurate because the capillary end effect is experimentally avoided. Avoiding the end effect results in tripling the saturation range, and obtaining relative permeabilities that are consistent with steady-state measurements and roughly 40% higher than those from the regular JBN method.

54 ENVIRONMENTAL SCIENCES↗

Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory

Metal-organic frameworks (MOFs) have gained much attention as next generation porous media for various applications, especially gas separations/storage and catalysis. New MOFs are regularly reported; however, to develop better materials in a timely manner for specific applications, the interactions between guest molecules and the internal surface of the framework must first be understood. In this review, we present a combined experimental and theoretical approach that proves essential for the elucidation of small-molecule interactions in a model MOF system known as M 2 (dobdc) (dobdc 4– = 2,5-dioxido-1,4-benzenedicarboxylate; M = Mg, Mn, Fe, Co, Ni, Cu, or Zn), a material whose adsorption properties can be readily tuned via chemical substitution. Here, we additionally show that the study of extensive families like this one can provide a platform to test the efficacy and accuracy of developing computational methodologies in slightly varying chemical environments, a task that is necessary for their evolution into viable, robust tools for screening large numbers of materials.

36 MATERIALS SCIENCE↗

Why it is Unfortunate that Linear Machine Learning “Works” so well in Electromechanical Switching of Ferroelectric Thin Films

Machine learning (ML) is relied on for materials spectroscopy. It is challenging to make ML models fail because statistical correlations can mimic the physics without causality. Here, using a benchmark band-excitation piezoresponse force microscopy polarization spectroscopy (BEPS) dataset the pitfalls of the so-called “better”, “faster”, and “less-biased” ML of electromechanical switching are demonstrated and overcome. Using a toy and real experimental dataset, it is demonstrated how linear nontemporal ML methods result in physically reasonable embedding (eigenvalues) while producing nonsensical eigenvectors and generated spectra, promoting misleading interpretations. A new method of unsupervised multimodal hyperspectral analysis of BEPS is demonstrated using long-short-term memory (LSTM) β-variational autoencoders (β-VAEs) . By including LSTM neurons, the ordinal nature of ferroelectric switching is considered. Further, to improve the interpretability of the latent space, a variational Kullback–Leibler-divergency regularization is imposed . Finally, regularization scheduling of β as a disentanglement metric is leveraged to reduce user bias. Combining these experiment-inspired modifications enables the automated detection of ferroelectric switching mechanisms, including a complex two-step, three-state one. Ultimately, this work provides a robust ML method for the rapid discovery of electromechanical switching mechanisms in ferroelectrics and is applicable to other multimodal hyperspectral materials spectroscopies.

36 MATERIALS SCIENCE↗

Flexible nonstationary spatiotemporal modeling of high-frequency monitoring data

Many physical datasets are generated by collections of instruments that make measurements at regular time intervals. For such regular monitoring data, we extend the framework of half-spectral covariance functions to the case of nonstationarity in space and time and demonstrate that this method provides a natural and tractable way to incorporate complex behaviors into a covariance model. Further, we use this method with fully time-domain computations to obtain bona fide maximum likelihood estimators—as opposed to using Whittle-type likelihood approximations, for example—that can still be computed conveniently. Additionally, we apply this method to very high-frequency Doppler LIDAR vertical wind velocity measurements, demonstrating that the model can expressively capture the extreme nonstationarity of dynamics above and below the atmospheric boundary layer and, more importantly, the interaction of the process dynamics across it.

54 ENVIRONMENTAL SCIENCES↗

Cu2ZnSnSe4 Photovoltaic Absorber Layers Evaluated by Transmission X-Ray Microscopy Tomography: Composition Fluctuations on the Length Scale of Grains

The origins of open-circuit voltage deficits in Cu2ZnSnS(e)4-based solar cells have been an intense topic of research over the past few years as device efficiencies have never approached those of CuInGaSe2 based cells despite the materials sharing similar crystal and electronic structures. In this work, we use transmission X-ray microscopy tomography to investigate the length scales over which elemental fluctuations occur. We find and show evidence of micron-scale Cu to Zn anti-correlations over a previously inaccessible combination of resolution and sample size that is consistent with the length scale of grains in this material. This result yields further insight into the causes of the large open-circuit voltage deficits regularly seen in these devices as well as the challenges of achieving compositional homogeneity in this material.

composition fluctuations↗

Evidence for a 5d F-theorem

Renormalization group flows are studied between 5d SCFTs engineered by (p, q) 5-brane webs with large numbers of external 5-branes. A general expression for the free energy on S5 in terms of single-valued trilogarithm functions is derived from their supergravity duals, which are characterized by the 5-brane charges and additional geometric parameters. The additional geometric parameters are fixed by regularity conditions, and we show that the solutions to the regularity conditions extremize a trial free energy. These results are used to survey a large sample of O(10 5 ) renormalization group flows between different 5d SCFTs, including Higgs branch flows and flows that preserve the SU(2) R- symmetry. In all cases the free energy changes monotonically towards the infrared, in line with a 5d F -theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Conformal manifolds with boundaries or defects

We discuss conformal manifolds for conformal field theories with boundaries or defects. Using conformal perturbation theory we derive constraints on coefficients appearing in the boundary operator product expansion and three-point functions that need to be satisfied for the existence of marginal couplings. We present several explicit examples where we confirm that β-functions vanish using a position space regularization, differential regularization. Where possible, we confirm that our β-function results agree with the existing literature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Trinification from E 6 symmetry breaking

In the context of E 6 Grand Unified Theories (GUTs), an intriguing possibility for symmetry breaking to the Standard Model (SM) group involves an intermediate stage characterized by either SU(3) × SU(3) × SU(3) (trinification) or SU(6) × SU(2). The more common choices of SU(5) and SO(10) GUT symmetry groups do not offer such breaking chains. We argue that the presence of a real (rank 2 tensor) representation 650 of E 6 in the scalar sector is the minimal and likely only reasonable possibility to obtain one of the novel intermediate stages. We analyze the renormalizable scalar potential of a single copy of the 650 and find vacuum solutions that support regularly embedded subgroups SU(3) × SU(3) × SU(3), SU(6) × SU(2), and SO(10) × U(1), as well as specially embedded subgroups F 4 and SU(3) × G 2 that do not contain the SM gauge symmetry. We show that for a suitable choice of parameters, each of the regular cases can be obtained as the lowest among the analyzed minima in the potential.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

One-loop corrections from higher dimensional tree amplitudes

We show how one-loop corrections to scattering amplitudes of scalars and gauge bosons can be obtained from tree amplitudes in one higher dimension. Starting with a complete tree-level scattering amplitude of n + 2 particles in five dimensions, one assumes that two of them cannot be “detected” and therefore an integration over their LIPS is carried out. The resulting object, function of the remaining n particles, is taken to be four-dimensional by restricting the corresponding momenta. We perform this procedure in the context of the tree-level CHY formulation of amplitudes. The scattering equations obtained in the procedure coincide with those derived by Geyer et al. from ambitwistor constructions and recently studied by two of the authors for bi-adjoint scalars. They have two sectors of solutions: regular and singular. We prove that the contribution from regular solutions generically gives rise to unphysical poles. However, using a BCFW argument we prove that the unphysical contributions are always homogeneous functions of the loop momentum and can be discarded. We also show that the contribution from singular solutions turns out to be homogeneous as well.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Positive Configuration Space

Abstract We define and study the totally nonnegative part of the Chow quotient of the Grassmannian, or more simply the nonnegative configuration space . This space has a natural stratification by positive Chow cells , and we show that nonnegative configuration space is homeomorphic to a polytope as a stratified space. We establish bijections between positive Chow cells and the following sets: (a) regular subdivisions of the hypersimplex into positroid polytopes, (b) the set of cones in the positive tropical Grassmannian, and (c) the set of cones in the positive Dressian. Our work is motivated by connections to super Yang–Mills scattering amplitudes, which will be discussed in a sequel.

Physics↗

Optimal Control of a Parabolic Equation with Dynamic Boundary Condition

We investigate a control problem for the heat equation. The goal is to find an optimal heat transfer coefficient in the dynamic boundary condition such that a desired temperature distribution at the boundary is adhered. To this end we consider a function space setting in which the heat flux across the boundary is forced to be an L{sup p} function with respect to the surface measure, which in turn implies higher regularity for the time derivative of temperature. We show that the corresponding elliptic operator generates a strongly continuous semigroup of contractions and apply the concept of maximal parabolic regularity. This allows to show the existence of an optimal control and the derivation of necessary and sufficient optimality conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Shape and Topology Optimization in Stokes Flow with a Phase Field Approach

In this paper we introduce a new formulation for shape optimization problems in fluids in a diffuse interface setting that can in particular handle topological changes. By adding the Ginzburg–Landau energy as a regularization to the objective functional and relaxing the non-permeability outside the fluid region by introducing a porous medium approach we hence obtain a phase field problem where the existence of a minimizer can be guaranteed. This problem is additionally related to a sharp interface problem, where the permeability of the non-fluid region is zero. In both the sharp and the diffuse interface setting we can derive necessary optimality conditions using only the natural regularity of the minimizers. We also pass to the limit in the first order conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Piecewise Deterministic Markov Toy Model for Traffic/Maintenance and Associated Hamilton–Jacobi Integrodifferential Systems on Networks

We study optimal control problems in infinite horizon whxen the dynamics belong to a specific class of piecewise deterministic Markov processes constrained to star-shaped networks (corresponding to a toy traffic model). We adapt the results in Soner (SIAM J Control Optim 24(6):1110–1122, 1986) to prove the regularity of the value function and the dynamic programming principle. Extending the networks and Krylov’s “shaking the coefficients” method, we prove that the value function can be seen as the solution to a linearized optimization problem set on a convenient set of probability measures. The approach relies entirely on viscosity arguments. As a by-product, the dual formulation guarantees that the value function is the pointwise supremum over regular subsolutions of the associated Hamilton–Jacobi integrodifferential system. This ensures that the value function satisfies Perron’s preconization for the (unique) candidate to viscosity solution.

97 MATHEMATICS AND COMPUTING↗

Long-Term Efficacy of Percutaneous Internal Plastic Stent Placement for Non-anastomotic Biliary Stenosis After Liver Transplantation

PurposeWe aimed to evaluate the long-term efficacy of percutaneous management of non-anastomotic biliary stenosis after liver transplantation, using plastic internal biliary stents.Materials and MethodsThis study included 35 cases (28 men, 7 women; mean age: 52.09 ± 8.13 years, range 34–68) in 33 patients who needed repeated interventional procedures because of biliary strictures. After classification of the biliary strictures, we inserted percutaneous biliary plastic stents through the T-tube or percutaneous transhepatic biliary drainage tracts. Stents were exchanged according to percutaneous methods at regular 2- to 6-month intervals. The stents were removed if the condition improved, as observed on cholangiogram as well as based on clinical findings. The median patient follow-up period after initial diagnosis and treatment was 6.04 years (range 0.29–9.95 years). We assessed treatment success rate and patient and graft survival times.ResultsDuring the follow-up period, 14 patients (14/33, 42.42 %) were successfully treated and were tube-free. The median tube-free time, time without a stent, was 4.13 years (range 1.00–9.01). In contrast, internal plastic stents remained in 9 patients (9/33, 27.27 %) until the last follow-up. These patients had acceptable hepatic function. Among the remaining 10 patients, 3 (3/33, 9.09 %) were lost to regular follow-up and the other 7 (7/33, 21.21 %) patients died. The overall graft loss rate was 20.0 % (7/35). The median time from initial treatment to graft loss was 1.84 years (range 0.42–4.25).ConclusionsPercutaneous plastic stents placement is technically feasible and clinically useful in patients with multiple biliary stenoses following liver transplantation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗