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The Gram matrix is symmetric in the case the inner product is real-valued; it is Hermitian in the general, complex case by definition of an inner product. The Gram matrix is positive semidefinite, and every positive semidefinite matrix is the Gramian matrix for some set of vectors. The fact that the Gramian matrix is positive-semidefinite can ...
In quantum mechanics, a density matrix (or density operator) is a matrix that describes an ensemble [1] of physical systems as quantum states (even if the ensemble contains only one system). It allows for the calculation of the probabilities of the outcomes of any measurements performed upon the systems of the ensemble using the Born rule .
Mulliken charges arise from the Mulliken population analysis [1] [2] and provide a means of estimating partial atomic charges from calculations carried out by the methods of computational chemistry, particularly those based on the linear combination of atomic orbitals molecular orbital method, and are routinely used as variables in linear regression (QSAR [3]) procedures. [4]
In this case, if we make a very large matrix with complex exponentials in the rows (i.e., cosine real parts and sine imaginary parts), and increase the resolution without bound, we approach the kernel of the Fredholm integral equation of the 2nd kind, namely the Fourier operator that defines the continuous Fourier transform. A rectangular ...
The Gram matrix of a sequence of points ,, …, in k-dimensional space ℝ k is the n×n matrix = of their dot products (here a point is thought of as a vector from 0 to that point): g i j = x i ⋅ x j = ‖ x i ‖ ‖ x j ‖ cos θ {\displaystyle g_{ij}=x_{i}\cdot x_{j}=\|x_{i}\|\|x_{j}\|\cos \theta } , where θ {\displaystyle \theta ...
Throughout this article, boldfaced unsubscripted and are used to refer to random vectors, and Roman subscripted and are used to refer to scalar random variables.. If the entries in the column vector = (,, …,) are random variables, each with finite variance and expected value, then the covariance matrix is the matrix whose (,) entry is the covariance [1]: 177 ...
Let A be a square n × n matrix with n linearly independent eigenvectors q i (where i = 1, ..., n).Then A can be factored as = where Q is the square n × n matrix whose i th column is the eigenvector q i of A, and Λ is the diagonal matrix whose diagonal elements are the corresponding eigenvalues, Λ ii = λ i.
Landmark-MDS (LMDS) is then applied on the matrix to find a Euclidean embedding of all the data points. [2] C Isomap: C-Isomap involves magnifying the regions of high density and shrink the regions of low density of data points in the manifold. Edge weights that are maximized in Multi-Dimensional Scaling(MDS) are modified, with everything else ...