Refraction-corrected ray-based inversion for three-dimensional ultrasound tomography of the breast

Ultrasound Tomography has seen a revival of interest in the past decade, especially for breast imaging, due to improvements in both ultrasound and computing hardware. In particular, three-dimensional ultrasound tomography, a fully tomographic method in which the medium to be imaged is surrounded by ultrasound transducers, has become feasible. In this paper, a comprehensive derivation and study of a robust framework for large-scale bent-ray ultrasound tomography in 3D for a hemispherical detector array is presented. Two ray-tracing approaches are derived and compared. More significantly, the problem of linking the rays between emitters and receivers, which is challenging in 3D due to the high number of degrees of freedom for the trajectory of rays, is analysed both as a minimisation and as a root-finding problem. The ray-linking problem is parameterised for a convex detection surface and three robust, accurate, and efficient ray-linking algorithms are formulated and demonstrated. To stabilise these methods, novel adaptive-smoothing approaches are proposed that control the conditioning of the update matrices to ensure accurate linking. The nonlinear UST problem of estimating the sound speed was recast as a series of linearised subproblems, each solved using the above algorithms and within a steepest descent scheme. The whole imaging algorithm was demonstrated to be robust and accurate on realistic data simulated using a full-wave acoustic model and an anatomical breast phantom, and incorporating the errors due to time-of-flight picking that would be present with measured data. This method can used to provide a low-artefact, quantitatively accurate, 3D sound speed maps. In addition to being useful in their own right, such 3D sound speed maps can be used to initialise full-wave inversion methods, or as an input to photoacoustic tomography reconstructions

Enhancing structure relaxations for first-principles codes: an approximate Hessian approach

We present a method for improving the speed of geometry relaxation by using a harmonic approximation for the interaction potential between nearest neighbor atoms to construct an initial Hessian estimate. The model is quite robust, and yields approximately a 30% or better reduction in the number of calculations compared to an optimized diagonal initialization. Convergence with this initializer approaches the speed of a converged BFGS Hessian, therefore it is close to the best that can be achieved. Hessian preconditioning is discussed, and it is found that a compromise between an average condition number and a narrow distribution in eigenvalues produces the best optimization.Comment: 9 pages, 3 figures, added references, expanded optimization sectio