相关论文: A state-specific multireference coupled-cluster me…

Particle Markov Chain Monte Carlo (PMCMC) is a general computational approach to Bayesian inference for general state space models. Our article scales up PMCMC in terms of the number of observations and parameters by generating the…

The two-way modal mu-calculus is the extension of the (standard) one-way mu-calculus with converse (backward-looking) modalities. For this logic we introduce two new sequent-style proof calculi: a non-wellfounded system admitting infinite…

While several Gaussian mixture models-based biclustering approaches currently exist in the literature for continuous data, approaches to handle discrete data have not been well researched. A multivariate Poisson-lognormal (MPLN) model-based…

Bi-clustering is a technique that allows for the simultaneous clustering of observations and features in a dataset. This technique is often used in bioinformatics, text mining, and time series analysis. An important advantage of…

Clustering of proteins is of interest in cancer cell biology. This article proposes a hierarchical Bayesian model for protein (variable) clustering hinging on correlation structure. Starting from a multivariate normal likelihood, we enforce…

Clustering multivariate data is a pervasive task in many applied problems, particularly in social studies and life science. Model-based approaches to clustering rely on mixture models, where each mixture component corresponds to the kernel…

The adjoint method is an efficient way to numerically compute gradients in optimization problems with constraints, but is only formulated to differentiable cost and constraint functions on real variables. With the introduction of complex…

We propose a method of bi-coordinate variations for non-stationary and non-smooth optimization problems, which involve a single linear equality and box constraints. Here only approximation sequences are known instead of exact values of the…

The BAT-MCS is an integrated Monte Carlo simulation method (MCS) that combines a binary adaptation tree algorithm (BAT) with a self-regulating simulation mechanism. The BAT algorithm operates deterministically, while the Monte Carlo…

Bilinear matrix inequality (BMI) problems in system and control designs are investigated in this paper. A solution method of reduction of variables (MRVs) is proposed. This method consists of a principle of variable classification, a…

We present a natural orbital-based implementation of the intermediate Hamiltonian Fock space coupled-cluster method for (1,1) sector of Fock space. The use of natural orbital significantly reduces the computational cost and can…

We introduce perturbation and coupled-cluster theories based on a cluster mean-field reference for describing the ground state of strongly-correlated spin systems. In cluster mean-field, the ground state wavefunction is written as a simple…

We introduce bimonads in a 2-category $\K$ and define biwreaths as bimonads in the 2-category $\bEM(\K)$ of bimonads, in the analogous fashion as Lack and Street defined wreaths. A biwreath is then a system containing a wreath, a cowreath…

We present and compare multiple imputation methods for multilevel continuous and binary data where variables are systematically and sporadically missing. The methods are compared from a theoretical point of view and through an extensive…

This paper presents a novel variant of the Broyden quasi-Newton secant-type method aimed at solving constrained mixed generalized equations, which can include functions that are not necessarily differentiable. The proposed method integrates…

We introduce a novel class of coupled cluster (CC) methods that leverage the seniority concept to enhance efficiency and accuracy in electronic structure calculations. While existing approaches, such as the pair coupled cluster doubles…

Single reference coupled-cluster (CC) methods for electronic excitation are based on a biorthogonal representation (bCC) of the (shifted) Hamiltonian in terms of excited CC states, also referred to as correlated excited (CE) states, and an…

Electron pairs have an illustrious history in chemistry, from powerful concepts to understanding structural stability and reactive changes, to the promise of serving as building blocks of quantitative descriptions of the electronic…

Several performance measures are used to evaluate binary and multiclass classification tasks. But individual observations may often have distinct weights, and none of these measures are sensitive to such varying weights. We propose a new…

We investigate the possibility to separate the bisimulation-invariant fragment of P from that of NP, resp. PSPACE. We build on Otto's Theorem stating that the bisimulation-invariant queries in P are exactly those that are definable in the…