This paper is concerned with an interior penalty discontinuous Galerkin (IPDG) method based on a flexible type of non-polynomial local approximation space for the Helmholtz equation with varying wavenumber. The local approximation space consists of multiple polynomial-modulated phase functions which can be chosen according to the phase information of the solution. We obtain some {approximation} properties for this space and \textit{a prior} $L^2$ error estimates for the \textit{h}-convergence of the IPDG method using duality argument. We also provide ample numerical examples to show that, building phase information into the local spaces often gives more accurate results comparing to using the standard polynomial spaces.

In this paper, we introduce multiscale persistent functions for biomolecular structure characterization. The essential idea is to combine our multiscale rigidity functions with persistent homology analysis, so as to construct a series of multiscale persistent functions, particularly multiscale persistent entropies, for structure characterization. To clarify the fundamental idea of our method, the multiscale persistent entropy model is discussed in great detail. Mathematically, unlike the previous persistent entropy or topological entropy, a special resolution parameter is incorporated into our model. Various scales can be achieved by tuning its value. Physically, our multiscale persistent entropy can be used in conformation entropy evaluation. More specifically, it is found that our method incorporates in it a natural classification scheme. This is achieved through a density filtration of a multiscale rigidity function built from bond and/or dihedral angle distributions. To further validate our model, a systematical comparison with the traditional entropy evaluation model is done. It is found that our model is able to preserve the intrinsic topological features of biomolecular data much better than traditional approaches, particularly for resolutions in the mediate range. Moreover, our method can be successfully used in protein classification. For a test database with around nine hundred proteins, a clear separation between all-alpha and all-beta proteins can be achieved, using only the dihedral and pseudo-bond angle information. Finally, a special protein structure index (PSI) is proposed, for the first time, to describe the "regularity" of protein structures. Essentially, PSI can be used to describe the "regularity" information in any systems.

We address the problem of detecting deformities on elastic surfaces. This is of great importance for shape analysis, with applications such as detecting abnormalities in biological shapes (e.g., brain structures). We propose an effective algorithm to detect abnormal deformations by generating quasi-conformal maps between the original and deformed surfaces. We firstly flatten the 3D surfaces conformally onto 2D rectangles using the discrete Yamabe flow and use them to compute a quasi-conformal map that matches internal features lying within the surfaces. The deformities on the elastic surface are formulated as non-conformal deformations, whereas normal deformations that preserve local geometry are formulated as conformal deformations. We then detect abnormalities by computing the Beltrami coefficient associated uniquely with the quasi-conformal map. The Beltrami coefficient is a complex-valued function defined on the surface. It describes the deviation of the deformation from conformality at each point. By considering the norm of the Beltrami coefficient, we can effectively segment the regions of abnormal changes, which are invariant under normal (non-rigid) deformations that preserve local geometry. Furthermore, by considering the argument of the Beltrami coefficient, we can capture abnormalities induced by local rotational changes. We tested the algorithm by detecting abnormalities on synthetic surfaces, 3D human face data and MRI-derived brain surfaces. Experimental results show that our algorithm can effectively detect abnormalities and capture local rotational alterations. Our method is also more effective than other existing methods, such as the isometric indicator, for locating abnormalities.

We consider the numerical solution of the time-fractional diffusion-wave equation on two-dimensional and three-dimensional unbounded spatial domains. Introduce an artificial boundary and find the exact and approximate artificial boundary conditions for the given problem, which lead to a bounded computational domain. Using the exact or approximating boundary conditions on the artificial boundary, the original problem is reduced to an initial-boundary-value problem on the bounded computational domain which is respectively equivalent to or approximates the original problem. Finite difference methods are used to solve the reduced problems on the bounded computational domain and the stability of these finite difference methods are proved. The numerical results demonstrate that the method given in this paper is effective and feasible.

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