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Predictive Mixing for Density Functional Theory (and Other Fixed-Point Problems)
Published 2021“…This paper describes a new approach to handling trust regions within these and other fixed-point problems. Rather than adjusting the trust region based upon improvement, the prior steps are used to estimate what the parameters and trust regions should be, effectively estimating the optimal Polyak step from the prior history. …”
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Procedure of the DCT-based EIT algorithm.
Published 2023“…Structural priors introduced in the DCT-based approach are of two categories in terms of different levels of information included: a contour prior only differentiates lung and non-lung region, while a detail prior includes information, such as atelectasis, within the lung area. To demonstrate the increased interpretability of the EIT image through structural prior in the DCT-based approach, the DCT-based reconstructions were compared with reconstructions from a widely applied one-step Gauss-Newton solver with background prior and from the advanced GREIT algorithm. …”
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DataSheet_1_Superiorization of projection algorithms for linearly constrained inverse radiotherapy treatment planning.pdf
Published 2023“…Superiorization combines a feasibility-seeking projection algorithm with objective function reduction: The underlying projection algorithm is perturbed with gradient descent steps to steer the algorithm towards a solution with a lower objective function value compared to one obtained solely through feasibility-seeking.…”
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DataSheet_1_Superiorization of projection algorithms for linearly constrained inverse radiotherapy treatment planning.pdf
Published 2023“…Superiorization combines a feasibility-seeking projection algorithm with objective function reduction: The underlying projection algorithm is perturbed with gradient descent steps to steer the algorithm towards a solution with a lower objective function value compared to one obtained solely through feasibility-seeking.…”
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DataSheet_1_Superiorization of projection algorithms for linearly constrained inverse radiotherapy treatment planning.pdf
Published 2023“…Superiorization combines a feasibility-seeking projection algorithm with objective function reduction: The underlying projection algorithm is perturbed with gradient descent steps to steer the algorithm towards a solution with a lower objective function value compared to one obtained solely through feasibility-seeking.…”
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“Big Data” Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of Geometry
Published 2020“…This work however aims at implementing a GB model into the Sampler for Multiple Protein–Ligand Entities (S4MPLE) evolutionary algorithm with mandatory EBR updates at each step triggering arbitrarily large geometric changes. …”
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Functional Projection <i>K</i>-means
Published 2025“…In contrast to existing literature, which largely considers the smoothing as a pre-processing step, in our proposal regularization is integrated with the identification of both subspace and cluster partition. …”
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A combined algorithm to distinguish between IB and NC models based on the differences in binding kinetics and DynR temporal evolution.
Published 2020“…In Examples 4 to 7, the value of <b>DynR</b>(t → 0) from the target curve is within the predicted range, so both models can explain the data and further analysis is needed. …”
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Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids with Pseudopotentials Near the Basis Se...
Published 2022“…Our algorithm development and density functional assessment will serve as a stepping stone toward developing more accurate hybrid functionals and applying them to practical applications.…”
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Patient characteristics.
Published 2023“…Structural priors introduced in the DCT-based approach are of two categories in terms of different levels of information included: a contour prior only differentiates lung and non-lung region, while a detail prior includes information, such as atelectasis, within the lung area. To demonstrate the increased interpretability of the EIT image through structural prior in the DCT-based approach, the DCT-based reconstructions were compared with reconstructions from a widely applied one-step Gauss-Newton solver with background prior and from the advanced GREIT algorithm. …”
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Data_Sheet_1_Day-to-Day Test-Retest Reliability of EEG Profiles in Children With Autism Spectrum Disorder and Typical Development.DOCX
Published 2020“…Recent technical advances, such as the Fitting Oscillations and One-Over-F (FOOOF) algorithm, allow for targeted characterization of the features that naturally emerge within an EEG PSD, permitting a more detailed characterization of the frequency band-agnostic shape of each individual’s EEG PSD. …”
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Spatial Mapping of Tracheal Ciliary Beat Frequency Using Real Time Phase-Resolved Doppler Spectrally Encoded Interferometric Microscopy
Published 2019“…We report on the development of a spectrally encoded interferometric microscopy (SEIM) system using a phase-resolved Doppler (PRD) algorithm to measure and map the ciliary beating frequency within an en face region. …”