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Gaussian graphical models are widely used to infer dependence structures. Bayesian methods are appealing to quantify uncertainty associated with structural learning, i.e., the plausibility of conditional independence statements given the…
As it stands, density matrix purification is a powerful tool for linear scaling electronic structure calculations. The convergence is rapid and depends only weakly on the band gap. However, as will be shown in this paper, there is room for…
Bayesian methods for learning Gaussian graphical models offer a principled framework for quantifying model uncertainty and incorporating prior knowledge. However, their scalability is constrained by the computational cost of jointly…
Approximate Bayesian computation (ABC) methods are used to approximate posterior distributions using simulation rather than likelihood calculations. We introduce Gaussian process (GP) accelerated ABC, which we show can significantly reduce…
Gaussian Boson Sampling (GBS) is a quantum computational model that leverages linear optics to solve sampling problems believed to be classically intractable. Recent experimental breakthroughs have demonstrated quantum advantage using GBS,…
In this paper, we consider the alleviation of the boundary problem when the probability density function has bounded support. We apply Robbins-Monro's algorithm and Bernstein polynomials to construct a recursive density estimator. We study…
This report mainly focused on the basic concepts and the recovery methods for the random sampling. The recovery methods involve the orthogonal matching pursuit algorithm and the gradient-based total variation strategy. In particular, a fast…
We propose a stochastic recursive momentum method for Riemannian non-convex optimization that achieves a near-optimal complexity of $\tilde{\mathcal{O}}(\epsilon^{-3})$ to find $\epsilon$-approximate solution with one sample. That is, our…
Recently, sparsity-based algorithms are proposed for super-resolution spectrum estimation. However, to achieve adequately high resolution in real-world signal analysis, the dictionary atoms have to be close to each other in frequency,…
Gaussian process (GP) regression provides a strategy for accelerating saddle point searches on high-dimensional energy surfaces by reducing the number of times the energy and its derivatives with respect to atomic coordinates need to be…
As a promising candidate for exhibiting quantum computational supremacy, Gaussian Boson Sampling (GBS) is designed to exploit the ease of experimental preparation of Gaussian states. However, sufficiently large and inevitable experimental…
In this work we describe a fast and stable algorithm for the computation of the orthogonal moments of an image. Indeed, orthogonal moments are characterized by a high discriminative power, but some of their possible formulations are…
Gaussian Boson Sampling (GBS) provides a route toward demonstrating quantum computational advantage. However, optical loss, which reduces the entanglement in the system, can render GBS results classically simulable. We propose a nonlinear…
Tomographic reconstruction of a binary image from few projections is considered. A novel {\em heuristic} algorithm is proposed, the central element of which is a nonlinear transformation $\psi(p)=\log(p/(1-p))$ of the probability $p$ that a…
In image reconstruction, an accurate quantification of uncertainty is of great importance for informed decision making. Here, the Bayesian approach to inverse problems can be used: the image is represented through a random function that…
We propose a novel stochastic algorithm that randomly samples entire rows and columns of the matrix as a way to approximate an arbitrary matrix function using the power series expansion. This contrasts with existing Monte Carlo methods,…
Two recent landmark experiments have performed Gaussian boson sampling (GBS) with a non-programmable linear interferometer and threshold detectors on up to 144 output modes (see Refs.~\onlinecite{zhong_quantum_2020,zhong2021phase}). Here we…
In this work, we introduce a real-time capable algorithm for considering monotonicity assumptions for recursive Gaussian Process regression (RGP). Therefore, we present how to efficiently calculate the RGP gradients online. Then, we utilize…
Monte Carlo methods use random sampling to estimate numerical quantities which are hard to compute deterministically. One important example is the use in statistical physics of rapidly mixing Markov chains to approximately compute partition…
Gaussian process (GP) regression is a powerful probabilistic modeling technique with built-in uncertainty quantification. When one has access to multiple correlated simulations (tasks), it is common to fit a multitask GP (MTGP) surrogate…