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The superposition of data sets with internal parametric self-similarity is a longstanding and widespread technique for the analysis of many types of experimental data across the physical sciences. Typically, this superposition is performed manually, or recently by one of a few automated algorithms. However, these methods are often heuristic in nature, are prone to user bias via manual data shifting or parameterization, and lack a native framework for handling uncertainty in both the data and the resulting model of the superposed data. In this work, we develop a data-driven, non-parametric method for superposing experimental data with arbitrary coordinate transformations, which employs Gaussian process regression to learn statistical models that describe the data, and then uses maximum a posteriori estimation to optimally superpose the data sets. This statistical framework is robust to experimental noise, and automatically produces uncertainty estimates for the learned coordinate transformations. Moreover, it is distinguished from black-box machine learning in its interpretability -- specifically, it produces a model that may itself be interrogated to gain insight into the system under study. We demonstrate these salient features of our method through its application to four representative data sets characterizing the mechanics of soft materials. In every case, our method replicates results obtained using other approaches, but with reduced bias and the addition of uncertainty estimates. This method enables a standardized, statistical treatment of self-similar data across many fields, producing interpretable data-driven models that may inform applications such as materials classification, design, and discovery.

The problems of frictional contacts are the key to the investigation of mechanical performances of composite materials under varying service environments. The paper considers a linear elasticity system with strongly heterogeneous coefficients and quasistatic Tresca's friction law, and we study the homogenization theories under the frameworks of H-convergence and small $\epsilon$-periodicity. The qualitative result is based on H-convergence, which shows the original oscillating solutions will converge weakly to the homogenized solution, while our quantitative result provides an estimate of asymptotic errors in the $H^1$ norm for the periodic homogenization. We also design several numerical experiments to validate the convergence rates in the quantitative analysis.

Super-Resolution is the technique to improve the quality of a low-resolution photo by boosting its plausible resolution. The computer vision community has extensively explored the area of Super-Resolution. However, previous Super-Resolution methods require vast amounts of data for training which becomes problematic in domains where very few low-resolution, high-resolution pairs might be available. One such area is statistical downscaling, where super-resolution is increasingly being used to obtain high-resolution climate information from low-resolution data. Acquiring high-resolution climate data is extremely expensive and challenging. To reduce the cost of generating high-resolution climate information, Super-Resolution algorithms should be able to train with a limited number of low-resolution, high-resolution pairs. This paper tries to solve the aforementioned problem by introducing a semi-supervised way to perform super-resolution that can generate sharp, high-resolution images with as few as 500 paired examples. The proposed semi-supervised technique can be used as a plug-and-play module with any supervised GAN-based Super-Resolution method to enhance its performance. We quantitatively and qualitatively analyze the performance of the proposed model and compare it with completely supervised methods as well as other unsupervised techniques. Comprehensive evaluations show the superiority of our method over other methods on different metrics. We also offer the applicability of our approach in statistical downscaling to obtain high-resolution climate images.

We consider statistical models arising from the common set of solutions to a sparse polynomial system with general coefficients. The maximum likelihood degree counts the number of critical points of the likelihood function restricted to the model. We prove the maximum likelihood degree of a sparse polynomial system is determined by its Newton polytopes and equals the mixed volume of a related Lagrange system of equations.

This paper establishes the asymptotic independence between the quadratic form and maximum of a sequence of independent random variables. Based on this theoretical result, we find the asymptotic joint distribution for the quadratic form and maximum, which can be applied into the high-dimensional testing problems. By combining the sum-type test and the max-type test, we propose the Fisher's combination tests for the one-sample mean test and two-sample mean test. Under this novel general framework, several strong assumptions in existing literature have been relaxed. Monte Carlo simulation has been done which shows that our proposed tests are strongly robust to both sparse and dense data.

The number of down-steps between pairs of up-steps in $k_t$-Dyck paths, a generalization of Dyck paths consisting of steps $\{(1, k), (1, -1)\}$ such that the path stays (weakly) above the line $y=-t$, is studied. Results are proved bijectively and by means of generating functions, and lead to several interesting identities as well as links to other combinatorial structures. In particular, there is a connection between $k_t$-Dyck paths and perforation patterns for punctured convolutional codes (binary matrices) used in coding theory. Surprisingly, upon restriction to usual Dyck paths this yields a new combinatorial interpretation of Catalan numbers.

This paper introduces a novel approach to compute the numerical fluxes at the cell boundaries for a cell-centered conservative numerical scheme. Explicit gradients used in deriving the reconstruction polynomials are replaced by high-order gradients computed by compact finite differences, referred to as implicit gradients in this paper. The new approach has superior dispersion and dissipation properties in comparison to the compact reconstruction approach. A problem-independent shock capturing approach via Boundary Variation Diminishing (BVD) algorithm is used to suppress oscillations for the simulation of flows with shocks and material interfaces. Several numerical test cases are carried out to verify the proposed method's capability using the implicit gradient method for compressible flows.

The minimum energy path (MEP) describes the mechanism of reaction, and the energy barrier along the path can be used to calculate the reaction rate in thermal systems. The nudged elastic band (NEB) method is one of the most commonly used schemes to compute MEPs numerically. It approximates an MEP by a discrete set of configuration images, where the discretization size determines both computational cost and accuracy of the simulations. In this paper, we consider a discrete MEP to be a stationary state of the NEB method and prove an optimal convergence rate of the discrete MEP with respect to the number of images. Numerical simulations for the transitions of some several proto-typical model systems are performed to support the theory.

Present-day atomistic simulations generate long trajectories of ever more complex systems. Analyzing these data, discovering metastable states, and uncovering their nature is becoming increasingly challenging. In this paper, we first use the variational approach to conformation dynamics to discover the slowest dynamical modes of the simulations. This allows the different metastable states of the system to be located and organized hierarchically. The physical descriptors that characterize metastable states are discovered by means of a machine learning method. We show in the cases of two proteins, Chignolin and Bovine Pancreatic Trypsin Inhibitor, how such analysis can be effortlessly performed in a matter of seconds. Another strength of our approach is that it can be applied to the analysis of both unbiased and biased simulations.

This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.