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Thu Hang Nguyen

Publications and source records attributed to Thu Hang Nguyen.

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A fast and simple modification of Newton's method helping to avoid saddle points

We propose in this paper New Q-Newton's method. The update rule is very simple conceptually, for example $x_{n+1}=x_n-w_n$ where $w_n=pr_{A_n,+}(v_n)-pr_{A_n,-}(v_n)$, with $A_n=\nabla ^2f(x_n)+δ_n||\nabla f(x_n)||^2.Id$ and $v_n=A_n^{-1}.\nabla f(x_n)$. Here $δ_n$ is an appropriate real number so that $A_n$ is invertible, and $pr_{A_n,\pm}$ are projections to the vector subspaces generated by eigenvectors of positive (correspondingly negative) eigenvalues of $A_n$. The main result of this paper roughly says that if $f$ is $C^3$ (can be unbounded from below) and a sequence $\{x_n\}$, constructed by the New Q-Newton's method from a random initial point $x_0$, {\bf converges}, then the limit point is a critical point and is not a saddle point, and the convergence rate is the same as that of Newton's method. The first author has recently been successful incorporating Backtracking line search to New Q-Newton's method, thus resolving the convergence guarantee issue observed for some (non-smooth) cost functions. An application to quickly finding zeros of a univariate meromorphic function will be discussed. Various experiments are performed, against well known algorithms such as BFGS and Adaptive Cubic Regularization are presented.

math.OC

Ab initio study of the optical phonons in 1D antiferromagnet Ca2CuO3

In the spin 1/2 antiferromagnetic Ca2CuO3 the optical excitation along 1D a Cu-O chain showed the enrichment of forbidden peaks that could not be explained by the group theory. We present the cluster-model ab initio study of these optical phonons based on the Hartree-Fock SCF calculation with the 3-21G basic set. The obtained results showed very good agreement with the observed data. The Cu-O resonances generally showed the lower shifts in Ca2CuO3 than in pure CuO and were primarily composed of the vibrations of the oxygen in static host lattice whereas the Cu movements happened only in the collective lattice vibrations. Almost complete classification of the forbidden phonons is presented.

cond-mat.mtrl-sci