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Signal processing techniques have been developed that use different strategies to bypass the Nyquist sampling theorem in order to recover more information than a traditional discrete Fourier transform. Here we examine three such methods: filter diago nalization, compressed sensing, and super-resolution. We apply them to a broad range of signal forms commonly found in science and engineering in order to discover when and how each method can be used most profitably. We find that filter diagonalization provides the best results for Lorentzian signals, while compressed sensing and super-resolution perform better for arbitrary signals.
This article presents a new method to compute matrices from numerical simulations based on the ideas of sparse sampling and compressed sensing. The method is useful for problems where the determination of the entries of a matrix constitutes the compu tational bottleneck. We apply this new method to an important problem in computational chemistry: the determination of molecular vibrations from electronic structure calculations, where our results show that the overall scaling of the procedure can be improved in some cases. Moreover, our method provides a general framework for bootstrapping cheap low-accuracy calculations in order to reduce the required number of expensive high-accuracy calculations, resulting in a significant 3x speed-up in actual calculations.
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