相关论文: Accuracy of the coherent potential approximation f…

The adiabatic connection fluctuation-dissipation theorem with the random phase approximation (RPA) has recently been applied with success to obtain correlation energies of a variety of chemical and solid state systems. The main merit of…

We propose Bayesian Conformal Prediction (BCP), a framework that combines Bayesian posterior predictive distributions with PAC-style conformal risk control to produce prediction sets with finite-sample coverage guarantees. Standard…

Given a decision process based on the approximate probability density function returned by a data assimilation algorithm, an interaction level between the decision making level and the data assimilation level is designed to incorporate the…

Condensates of active particles such as cells form almost-crystalline lattices which play a central role in many biological systems. Typically, their properties have been determined merely by analogy to the rather trivial one-dimensional…

Coherent perfect absorption (CPA) is an interferometric effect that guarantees full absorption in a lossy layer independently of its intrinsic losses. To date, it has been observed only at a single wavelength or narrow bandwidths, whereupon…

Chance constrained programming (CCP) refers to a type of optimization problem with uncertain constraints that are satisfied with at least a prescribed probability level. In this work, we study the sample average approximation (SAA) of…

We give new sufficient ergodicity conditions for two-state probabilistic cellular automata (PCA) of any dimension and any radius. The proof of this result is based on an extended version of the duality concept. Under these assumptions, in…

We study the semiclassical propagation of coherent states in $d$ dimensions, which in general involves complex classical dynamics. Several simple approximations are derived that depend only on real classical trajectories, among them the…

We present an embedding approach to treat local electron correlation effects in periodic environments. In a single, consistent framework, our plane-wave based scheme embeds a local high-level correlation calculation (here Coupled Cluster…

Accuracy, variationality, and convergence underpin the reliability of modern electronic structure methods, yet definitive benchmarks in the relativistic regime remain elusive due to the absence of numerically exact full configuration…

Motivated by the observation of the storage of excess elastic free energy - (prestress) -- in cross linked semiflexible networks, we consider the problem of the conformational statistics of a single semiflexible polymer in a quenched random…

Ground-state Kohn-Sham density functional theory provides, in principle, the exact ground-state energy and electronic spin-densities of real interacting electrons in a static external potential. In practice, the exact density functional for…

Consider a wireless network of transmitter-receiver pairs where the transmitters adjust their powers to maintain a target SINR level in the presence of interference. In this paper, we analyze the optimal power vector that achieves this…

The presence of a sparse "truth" has been a constant assumption in the theoretical analysis of sparse PCA and is often implicit in its methodological development. This naturally raises questions about the properties of sparse PCA methods…

We investigate the critical behavior of the one-dimensional Ising model with long-range interactions using the functional renormalization group in the local potential approximation (LPA), and compare our findings with Dyson's hierarchical…

Gaussian mixture distributions are commonly employed to represent general probability distributions. Despite the importance of using Gaussian mixtures for uncertainty estimation, the entropy of a Gaussian mixture cannot be calculated…

A comprehensive convergence and stability analysis of some probabilistic numerical methods designed to solve Cauchy-type inverse problems is performed in this study. Such inverse problems aim at solving an elliptic partial differential…

This paper proposes a novel CTA (Combine-Then-Adapt)-based decentralized algorithm for solving convex composite optimization problems over undirected and connected networks. The local loss function in these problems contains both smooth and…

Quantum cellular automata (QCAs) are automorphisms of tensor product algebras that preserve locality, with local quantum circuits as a simple example. We study approximate QCAs, where the locality condition is only satisfied up to a small…

Gaussian Approximation Potentials are a class of Machine Learned Interatomic Potentials routinely used to model materials and molecular systems on the atomic scale. The software implementation provides the means for both fitting models…