The joint retrieval of surface reflectances and atmospheric parameters in VSWIR imaging spectroscopy is a computationally challenging high-dimensional problem. Using NASA's Surface Biology and Geology mission as the motivational context, the uncertainty associated with the retrievals is crucial for further application of the retrieved results for environmental applications. Although Markov chain Monte Carlo (MCMC) is a Bayesian method ideal for uncertainty quantification, the full-dimensional implementation of MCMC for the retrieval is computationally intractable. In this work, we developed a block Metropolis MCMC algorithm for the high-dimensional VSWIR surface reflectance retrieval that leverages the structure of the forward radiative transfer model to enable tractable fully Bayesian computation. We use the posterior distribution from this MCMC algorithm to assess the limitations of optimal estimation, the state-of-the-art Bayesian algorithm in operational retrievals which is more computationally efficient but uses a Gaussian approximation to characterize the posterior. Analyzing the differences in the posterior computed by each method, the MCMC algorithm was shown to give more physically sensible results and reveals the non-Gaussian structure of the posterior, specifically in the atmospheric aerosol optical depth parameter and the low-wavelength surface reflectances.
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We consider a new splitting based on the Sherman-Morrison-Woodbury formula, which is particularly effective with iterative methods for the numerical solution of large linear systems. These systems involve matrices that are perturbations of circulant or block circulant matrices, which commonly arise in the discretization of differential equations using finite element or finite difference methods. We prove the convergence of the new iteration without making any assumptions regarding the symmetry or diagonal-dominance of the matrix. To illustrate the efficacy of the new iteration we present various applications. These include extensions of the new iteration to block matrices that arise in certain saddle point problems as well as two-dimensional finite difference discretizations. The new method exhibits fast convergence in all of the test cases we used. It has minimal storage requirements, straightforward implementation and compatibility with nearly circulant matrices via the Fast Fourier Transform. For this reasons it can be a valuable tool for the solution of various finite element and finite difference discretizations of differential equations.
We characterize the convergence properties of traditional best-response (BR) algorithms in computing solutions to mixed-integer Nash equilibrium problems (MI-NEPs) that turn into a class of monotone Nash equilibrium problems (NEPs) once relaxed the integer restrictions. We show that the sequence produced by a Jacobi/Gauss-Seidel BR method always approaches a bounded region containing the entire solution set of the MI-NEP, whose tightness depends on the problem data, and it is related to the degree of strong monotonicity of the relaxed NEP. When the underlying algorithm is applied to the relaxed NEP, we establish data-dependent complexity results characterizing its convergence to the unique solution of the NEP. In addition, we derive one of the very few sufficient conditions for the existence of solutions to MI-NEPs. The theoretical results developed bring important practical advantages that are illustrated on a numerical instance of a smart building control application.
We consider two classes of natural stochastic processes on finite unlabeled graphs. These are Euclidean stochastic optimization algorithms on the adjacency matrix of weighted graphs and a modified version of the Metropolis MCMC algorithm on stochastic block models over unweighted graphs. In both cases we show that, as the size of the graph goes to infinity, the random trajectories of the stochastic processes converge to deterministic curves on the space of measure-valued graphons. Measure-valued graphons, introduced by Lov\'{a}sz and Szegedy in \cite{lovasz2010decorated}, are a refinement of the concept of graphons that can distinguish between two infinite exchangeable arrays that give rise to the same graphon limit. We introduce new metrics on this space which provide us with a natural notion of convergence for our limit theorems. This notion is equivalent to the convergence of infinite-exchangeable arrays. Under suitable assumptions and a specified time-scaling, the Metropolis chain admits a diffusion limit as the number of vertices go to infinity. We then demonstrate that, in an appropriately formulated zero-noise limit, the stochastic process of adjacency matrices of this diffusion converges to a deterministic gradient flow curve on the space of graphons introduced in\cite{Oh2023}. A novel feature of this approach is that it provides a precise exponential convergence rate for the Metropolis chain in a certain limiting regime. The connection between a natural Metropolis chain commonly used in exponential random graph models and gradient flows on graphons, to the best of our knowledge, is new in the literature as well.
The categorical Gini correlation, $\rho_g$, was proposed by Dang et al. to measure the dependence between a categorical variable, $Y$ , and a numerical variable, $X$. It has been shown that $\rho_g$ has more appealing properties than current existing dependence measurements. In this paper, we develop the jackknife empirical likelihood (JEL) method for $\rho_g$. Confidence intervals for the Gini correlation are constructed without estimating the asymptotic variance. Adjusted and weighted JEL are explored to improve the performance of the standard JEL. Simulation studies show that our methods are competitive to existing methods in terms of coverage accuracy and shortness of confidence intervals. The proposed methods are illustrated in an application on two real datasets.
Quantum information scrambling is a unitary process that destroys local correlations and spreads information throughout the system, effectively hiding it in nonlocal degrees of freedom. In principle, unscrambling this information is possible with perfect knowledge of the unitary dynamics[arXiv:1710.03363]. However, this work demonstrates that even without previous knowledge of the internal dynamics, information can be efficiently decoded from an unknown scrambler by monitoring the outgoing information of a local subsystem. Surprisingly, we show that scramblers with unknown internal dynamics, which are rapidly mixing but not fully chaotic, can be decoded using Clifford decoders. The essential properties of a scrambling unitary can be efficiently recovered, even if the process is exponentially complex. Specifically, we establish that a unitary operator composed of $t$ non-Clifford gates admits a Clifford decoder up to $t\le n$.
This work is concerned with cone-beam computed tomography with circular source trajectory, where the reconstruction inverse problem requires an accurate knowledge of source, detector and rotational axis relative positions and orientations. We address this problem as a preceding step of the reconstruction process directly from the acquired projections. The method estimates both the detector shift (orthogonal to focal and rotational axes) and the in-plane detector rotation, relative to source and rotational axis. The obtained algorithm is based on a fan-beam symmetry condition and the variable projection optimization approach with a low computational cost. Therefore, the alignment problem for fan-beam tomography is addressed as well. The methods are validated with simulated and real industrial tomographic data with code examples available for both fan- and cone-beam geometries.
Classification of unlabeled data is usually achieved by supervised learning from labeled samples. Although there exist many sophisticated supervised machine learning methods that can predict the missing labels with a high level of accuracy, they often lack the required transparency in situations where it is important to provide interpretable results and meaningful measures of confidence. Body fluid classification of forensic casework data is the case in point. We develop a new Biclustering Dirichlet Process for Class-assignment with Random Matrices (BDP-CaRMa), with a three-level hierarchy of clustering, and a model-based approach to classification that adapts to block structure in the data matrix. As the class labels of some observations are missing, the number of rows in the data matrix for each class is unknown. BDP-CaRMa handles this and extends existing biclustering methods by simultaneously biclustering multiple matrices each having a randomly variable number of rows. We demonstrate our method by applying it to the motivating problem, which is the classification of body fluids based on mRNA profiles taken from crime scenes. The analyses of casework-like data show that our method is interpretable and produces well-calibrated posterior probabilities. Our model can be more generally applied to other types of data with a similar structure to the forensic data.
Historical materials are abundant. Yet, piecing together how human knowledge has evolved and spread both diachronically and synchronically remains a challenge that can so far only be very selectively addressed. The vast volume of materials precludes comprehensive studies, given the restricted number of human specialists. However, as large amounts of historical materials are now available in digital form there is a promising opportunity for AI-assisted historical analysis. In this work, we take a pivotal step towards analyzing vast historical corpora by employing innovative machine learning (ML) techniques, enabling in-depth historical insights on a grand scale. Our study centers on the evolution of knowledge within the `Sacrobosco Collection' -- a digitized collection of 359 early modern printed editions of textbooks on astronomy used at European universities between 1472 and 1650 -- roughly 76,000 pages, many of which contain astronomic, computational tables. An ML based analysis of these tables helps to unveil important facets of the spatio-temporal evolution of knowledge and innovation in the field of mathematical astronomy in the period, as taught at European universities.
Spectral independence is a recently-developed framework for obtaining sharp bounds on the convergence time of the classical Glauber dynamics. This new framework has yielded optimal $O(n \log n)$ sampling algorithms on bounded-degree graphs for a large class of problems throughout the so-called uniqueness regime, including, for example, the problems of sampling independent sets, matchings, and Ising-model configurations. Our main contribution is to relax the bounded-degree assumption that has so far been important in establishing and applying spectral independence. Previous methods for avoiding degree bounds rely on using $L^p$-norms to analyse contraction on graphs with bounded connective constant (Sinclair, Srivastava, Yin; FOCS'13). The non-linearity of $L^p$-norms is an obstacle to applying these results to bound spectral independence. Our solution is to capture the $L^p$-analysis recursively by amortising over the subtrees of the recurrence used to analyse contraction. Our method generalises previous analyses that applied only to bounded-degree graphs. As a main application of our techniques, we consider the random graph $G(n,d/n)$, where the previously known algorithms run in time $n^{O(\log d)}$ or applied only to large $d$. We refine these algorithmic bounds significantly, and develop fast $n^{1+o(1)}$ algorithms based on Glauber dynamics that apply to all $d$, throughout the uniqueness regime.
The scalar auxiliary variable (SAV)-type methods are very popular techniques for solving various nonlinear dissipative systems. Compared to the semi-implicit method, the baseline SAV method can keep a modified energy dissipation law but doubles the computational cost. The general SAV approach does not add additional computation but needs to solve a semi-implicit solution in advance, which may potentially compromise the accuracy and stability. In this paper, we construct a novel first- and second-order unconditional energy stable and positivity-preserving stabilized SAV (PS-SAV) schemes for $L^2$ and $H^{-1}$ gradient flows. The constructed schemes can reduce nearly half computational cost of the baseline SAV method and preserve its accuracy and stability simultaneously. Meanwhile, the introduced auxiliary variable is always positive while the baseline SAV cannot guarantee this positivity-preserving property. Unconditionally energy dissipation laws are derived for the proposed numerical schemes. We also establish a rigorous error analysis of the first-order scheme for the Allen-Cahn type equation in $l^{\infty}(0,T; H^1(\Omega) ) $ norm. In addition we propose an energy optimization technique to optimize the modified energy close to the original energy. Several interesting numerical examples are presented to demonstrate the accuracy and effectiveness of the proposed methods.
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