Results 131 to 140 of about 448,247 (335)

Rayleigh-Ritz Majorization Error Bounds for the Linear Response Eigenvalue Problem

Open Mathematics, 2019
In the linear response eigenvalue problem arising from computational quantum chemistry and physics, one needs to compute a few of smallest positive eigenvalues together with the corresponding eigenvectors.
Teng Zhongming, Zhong Hong-Xiu
doaj   +1 more source

Artificial intelligence in enzyme catalysis: Emerging trends and applications in biocatalyst engineering

The Canadian Journal of Chemical Engineering, EarlyView.
Schematic representation of artificial intelligence approaches in enzyme catalysis, integrating bibliometric analysis, emerging research trends, and machine learning tools for enzyme design, prediction, and industrial biocatalytic applications. Abstract This study systematically explores the applications of artificial intelligence (AI) in enzyme ...
Misael Bessa Sales, Francisco Izaias da Silva Aires, Paulo Gonçalves de Sousa Junior, Calebe Da Rocha Silva, Emanuel Lino Rodrigues, Maria Cristiane Martins de Souza, José C. S. dos Santos   +6 more
wiley   +1 more source

Quantum algorithm for solving generalized eigenvalue problems with application to the Schrödinger equation

Physical Review Research
Accurate computation of multiple eigenvalues of quantum Hamiltonians is essential in quantum chemistry, materials science, and molecular spectroscopy. Estimating excited-state energies is challenging for classical algorithms due to exponential scaling ...
Grzegorz Rajchel-Mieldzioć, Szymon Pliś, Emil Zak   +2 more
doaj   +1 more source

A partial envelope approach for modelling multivariate spatial‐temporal data

Canadian Journal of Statistics, EarlyView.
Abstract In the new era of big data, modelling multivariate spatial‐temporal data is a challenging task due to both the high dimensionality of the features and complex associations among the responses across different locations and time points.
Reisa Widjaja, Wenbo Wu, Victor De Oliveira, Keying Ye   +3 more
wiley   +1 more source

A note on testing the covariance matrix for large dimension [PDF]

We consider the problem of testing hypotheses regarding the covariance matrix of multivariate normal data, if the sample size s and dimension n satisfy lim [n,s→∞] n/s = y. Recently, several tests have been proposed in the case, where the sample size and
Dette, Holger, Birke, Melanie
core  

Inverse eigenvalue problem for Euclidean distance matrices [PDF]

, 2015
The objective of the thesis is to present various results of an inverse eigenvalue problem for Euclidean distance matrices. The first part describes the construction of a non-negative symmetrical matrix with zeros on the diagonal with given eigenvalues ...
Škvorc, Peter
core  

Dynamic survival risk prediction with time‐varying high‐dimensional images

Canadian Journal of Statistics, EarlyView.
Abstract Integrating longitudinal data with survival models is a prevalent strategy for dynamic survival risk prediction while accounting for subjects' longitudinally observed variables. However, existing methods primarily focus on scalar longitudinal data and seldom tackle the complexities associated with high‐dimensional longitudinal imaging data ...
Bingfan Liu, Haolun Shi, Shu Jiang, Liangliang Wang, Da Ma, Mirza Faisal Beg, Jiguo Cao, for the Alzheimer's Disease Neuroimaging Initiative   +7 more
wiley   +1 more source

Overview of total least squares methods [PDF]

, 2007
We review the development and extensions of the classical total least squares method and describe algorithms for its generalization to weighted and structured approximation problems.
Markovsky, Ivan, Ivan Markovsky, Sabine Van Huffel, Van Huffel, Sabine   +3 more
core  

Power spectral density and the brain

Canadian Journal of Statistics, EarlyView.
Abstract Time series from M/EEG (magneto/electroencephalography) and ECoG (electrocorticography) recordings are common sources of information about brain function. The power spectral density (PSD) preserves much of this information, up to second order. In the current decade, a burst of brain diagnostics using the slope of log(PSD) has appeared.
Priscilla E. Greenwood, Sveinung Erland, Lawrence M. Ward   +2 more
wiley   +1 more source

Front Propagation Through a Perforated Wall

Communications on Pure and Applied Mathematics, EarlyView.
ABSTRACT We consider a bistable reaction– diffusion equation ut=Δu+f(u)$u_t=\Delta u +f(u)$ on RN${\mathbb {R}}^N$ in the presence of an obstacle K$K$, which is a wall of infinite span with many holes. More precisely, K$K$ is a closed subset of RN${\mathbb {R}}^N$ with smooth boundary such that its projection onto the x1$x_1$‐axis is bounded and that ...
Henri Berestycki, François Hamel, Hiroshi Matano   +2 more
wiley   +1 more source