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PubMed2006

Extrapolated gradientlike algorithms for molecular dynamics and celestial mechanics simulations.

A class of symplectic algorithms is introduced to integrate the equations of motion in many-body systems. The algorithms are derived on the basis of an advanced gradientlike decomposition approach. Its main advantage over the standard gradient scheme is the avoidance of time-consuming evaluations of force gradients by force extrapolation without any loss of precision. As a result, the efficiency of the integration improves significantly. The algorithms obtained are analyzed and optimized using an error-function theory. The best among them are tested in actual molecular dynamics and celestial mechanics simulations for comparison with well-known nongradient and gradient algorithms such as the Störmer-Verlet, Runge-Kutta, Cowell-Numerov, Forest-Ruth, Suzuki-Chin, and others. It is demonstrated that for moderate and high accuracy, the extrapolated algorithms should be considered as the most efficient for the integration of motion in molecular dynamics simulations.

Journal Article↗

PubMed2005

Quantum algorithms without initializing the auxiliary qubits.

In this Letter, we construct the quantum algorithms for the Simon problem and the period-finding problem, which do not require initializing the auxiliary qubits involved in the process of functional evaluation but are as efficient as the original algorithms. In these quantum algorithms, one can use any arbitrarily mixed state as the auxiliary qubits, and furthermore can recover the state of the auxiliary qubits to the original one after completing the computations. Since the recovered state can be employed in any other computations, we obtain that a single preparation of the auxiliary qubits in an arbitrarily mixed state is sufficient to implement the iterative procedure in the Simon algorithm or the period-finding algorithm.

Journal Article↗

PubMed2004

Phasing diffuse scattering. Application of the SIR2002 algorithm to the non-crystallographic phase problem.

A new phasing algorithm has been used to determine the phases of diffuse elastic X-ray scattering from a non-periodic array of gold balls of 50 nm diameter. Two-dimensional real-space images, showing the charge-density distribution of the balls, have been reconstructed at 50 nm resolution from transmission diffraction patterns recorded at 550 eV energy. The reconstructed image fits well with a scanning-electron-microscope (SEM) image of the same sample. The algorithm, which uses only the density modification portion of the SIR2002 program, is compared with the results obtained via the Gerchberg-Saxton-Fienup HiO algorithm. The new algorithm requires no knowledge of the object's boundary and proceeds from low to high resolution. In this way, the relationship between density modification in crystallography and the HiO algorithm used in signal and image processing is elucidated.

Journal Article↗

PubMed2004

A fuzzy relational clustering algorithm based on a dissimilarity measure extracted from data.

One of the critical aspects of clustering algorithms is the correct identification of the dissimilarity measure used to drive the partitioning of the data set. The dissimilarity measure induces the cluster shape and therefore determines the success of clustering algorithms. As cluster shapes change from a data set to another, dissimilarity measures should be extracted from data. To this aim, we exploit some pairs of points with known dissimilarity value to teach a dissimilarity relation to a feed-forward neural network. Then, we use the neural dissimilarity measure to guide an unsupervised relational clustering algorithm. Experiments on synthetic data sets and on the Iris data set show that the relational clustering algorithm based on the neural dissimilarity outperforms some popular clustering algorithms (with possible partial supervision) based on spatial dissimilarity.

Journal Article↗

PubMed2004

A two-phase genetic K-means algorithm for placement of radioports in cellular networks.

This paper proposes a two-phase hybrid algorithm for optimal placement of radioports. The placement strategy minimizes the dynamic range of the channel, and thus reduces the peak transmit power needed by a wireless handset. The performance of the proposed algorithm is compared with that of an exhaustive search, as well as with that of a simplex algorithm. Simulation results show that the two-phase hybrid algorithm, although suboptimal, outperforms the simplex algorithm with only a modest increase in computation time. It has the added advantage of being quite insensitive to the seed solution.

Journal Article↗

PubMed2004

Comparison of the specificity of implantable dual chamber defibrillator detection algorithms.

The aim of the study was to compare the specificity of dual chamber ICDs detection algorithms for correct classification of supraventricular tachyarrhythmias derived from clinical studies according to their size to detect an impact of sample size on the specificity. Furthermore, the study sought to compare the specificities of detection algorithms calculated from clinical data with the specificity calculated from simulations of tachyarrhythmias. A survey was conducted of all available sources providing data regarding the specificity of five dual chamber ICDs. The specificity was correlated with the number of patients included, number of episodes, and number of supraventricular tachyarrhythmias recorded. The simulation was performed using tachyarrhythmias recorded in the electrophysiology laboratory. The range of the number of patients included into the studies was 78-1,029, the range of the total number of episodes recorded was 362-5,788, and the range of the number of supraventricular tachyarrhythmias used for calculation of the specificity for correct detection of these arrhythmias was 100 (Biotronik) to 1662 (Medtronic). The specificity for correct detection of supraventricular tachyarrhythmias was 90% (Biotronik), 89% (ELA Medical), 89% (Guidant), 68% (Medtronic), and 76% (St. Jude Medical). There was an inverse correlation (r = -0.9, P = 0.037) between the specificity for correct classification of supraventricular tachyarrhythmias and the number of patients. The specificity for correct detection of supraventricular tachyarrhythmias calculated from the simulation after correction for the clinical prevalence of the simulated tachyarrhythmias was 95% (Biotronik), 99% (ELA Medical), 94% (Guidant), 93% (Medtronic), and 92% (St. Jude Medical). In conclusion, the specificity of ICD detection algorithms calculated from clinical studies or registries may depend on the number of patients studied. Therefore, a direct comparison between different detection algorithms based on clinical data is difficult. In contrast, simulation of supraventricular tachyarrhythmias using a uniform database may be a better tool for direct comparison of the specificity of ICD detection algorithms.

Arrhythmias, Cardiac↗

PubMed1998

Approximate Statistical Tests for Comparing Supervised Classification Learning Algorithms.

This article reviews five approximate statistical tests for determining whether one learning algorithm outperforms another on a particular learning task. These tests are compared experimentally to determine their probability of incorrectly detecting a difference when no difference exists (type I error). Two widely used statistical tests are shown to have high probability of type I error in certain situations and should never be used: a test for difference of two proportions and a paired-differences t test based on taking several random train-test splits. A third test, a paired-differences t test based on 10-fold cross-validation, exhibits somewhat elevated probability of type I error. A fourth test, McNemar's test, is shown to have low type I error. The fifth test is a new test, 5 x 2 cv, based on five iterations of twofold cross-validation. Experiments show that this test also has acceptable type I error. The article also measures the power (ability to detect algorithm differences when they do exist) of these tests. The cross-validated t test is the most powerful. The 5 x 2 cv test is shown to be slightly more powerful than McNemar's test. The choice of the best test is determined by the computational cost of running the learning algorithm. For algorithms that can be executed only once, McNemar's test is the only test with acceptable type I error. For algorithms that can be executed 10 times, the 5 x 2 cv test is recommended, because it is slightly more powerful and because it directly measures variation due to the choice of training set.

Journal Article↗

PubMed1999

Prediction games and arcing algorithms

The theory behind the success of adaptive reweighting and combining algorithms (arcing) such as Adaboost (Freund & Schapire, 1996a, 1997) and others in reducing generalization error has not been well understood. By formulating prediction as a game where one player makes a selection from instances in the training set and the other a convex linear combination of predictors from a finite set, existing arcing algorithms are shown to be algorithms for finding good game strategies. The minimax theorem is an essential ingredient of the convergence proofs. An arcing algorithm is described that converges to the optimal strategy. A bound on the generalization error for the combined predictors in terms of their maximum error is proven that is sharper than bounds to date. Schapire, Freund, Bartlett, and Lee (1997) offered an explanation of why Adaboost works in terms of its ability to produce generally high margins. The empirical comparison of Adaboost to the optimal arching algorithm shows that their explanation is not complete.

Journal Article↗

PubMed1985

A new scan conversion algorithm for ultrasound compound scanning.

An improved scan conversion algorithm for ultrasound compound scanning is proposed. In this algorithm, the input data in the spatial domain is sampled by the concentric square raster sampling (CSRS) method, and the display pixel data are filled by one-dimensional linear interpolation. The reconstruction error of the proposed algorithm is much smaller than that of other algorithms, because only one-dimensional, rather than two-dimensional, interpolation is involved. This algorithm greatly simplifies implementation of a real-time digital scan converter (DSC) for spatial compounding of ultrasound images.

Mathematics↗

PubMed2002

Simultaneous retrieval of atmospheric profiles, land-surface temperature, and surface emissivity from Moderate-Resolution Imaging Spectroradiometer thermal infrared data: extension of a two-step physical algorithm.

An extension to the two-step physical retrieval algorithm was developed. Combined clear-sky multitemporal and multispectral observations were used to retrieve the atmospheric temperature-humidity profile, land-surface temperature, and surface emissivities in the midwave (3-5 microns) and long-wave (8-14.5 microns) regions. The extended algorithm was tested with both simulated and real data from the Moderate-Resolution Imaging Spectroradiometer (MODIS) Airborne Simulator. A sensitivity study and error analysis demonstrate that retrieval performance is improved by the extended algorithm. The extended algorithm is relatively insensitive to the uncertainties simulated for the real observations. The extended algorithm was also applied to real MODIS daytime and nighttime observations and showed that it is capable of retrieving medium-scale atmospheric temperature water vapor and retrieving surface temperature emissivity with retrieval accuracy similar to that achieved by the Geostationary Operational Environmental Satellite (GOES) but at a spatial resolution higher than that of GOES.

Journal Article↗

PubMed2002

Image preprocessing for improving computational efficiency in implementation of restoration and superresolution algorithms.

Computational complexity is a major impediment to the real-time implementation of image restoration and superresolution algorithms in many applications. Although powerful restoration algorithms have been developed within the past few years utilizing sophisticated mathematical machinery (based on statistical optimization and convex set theory), these algorithms are typically iterative in nature and require a sufficient number of iterations to be executed to achieve the desired resolution improvement that may be needed to meaningfully perform postprocessing image exploitation tasks in practice. Additionally, recent technological breakthroughs have facilitated novel sensor designs (focal plane arrays, for instance) that make it possible to capture megapixel imagery data at video frame rates. A major challenge in the processing of these large-format images is to complete the execution of the image processing steps within the frame capture times and to keep up with the output rate of the sensor so that all data captured by the sensor can be efficiently utilized. Consequently, development of novel methods that facilitate real-time implementation of image restoration and superresolution algorithms is of significant practical interest and is the primary focus of this study. The key to designing computationally efficient processing schemes lies in strategically introducing appropriate preprocessing steps together with the superresolution iterations to tailor optimized overall processing sequences for imagery data of specific formats. For substantiating this assertion, three distinct methods for tailoring a preprocessing filter and integrating it with the superresolution processing steps are outlined. These methods consist of a region-of-interest extraction scheme, a background-detail separation procedure, and a scene-derived information extraction step for implementing a set-theoretic restoration of the image that is less demanding in computation compared with the superresolution iterations. A quantitative evaluation of the performance of these algorithms for restoring and superresolving various imagery data captured by diffraction-limited sensing operations are also presented.

Journal Article↗

PubMed2004

Class of 4 + 1-phase algorithms with error compensation.

It is well known that phase-shifting interferometry suffers from inaccuracy in the presence of phase-shifting errors. We have proved the limitation of using a 4-phase algorithm to reduce the phase-measurement error in the presence of the phase-shifting error. A class of 4 + 1-phase error compensating algorithms is formulated. It is shown that the proposed algorithms can effectively minimize the effects of the constant phase-shifting error and possess a superior performance than existing error-compensating algorithms. The effectiveness of the proposed algorithm is demonstrated by computer simulations and experiments.

Journal Article↗

PubMed2006

Birefringent filter design by use of a modified genetic algorithm.

A modified genetic algorithm is proposed for the optimization of fiber birefringent filters. The orientation angles and the element lengths are determined by the genetic algorithm to minimize the sidelobe levels of the filters. Being different from the normal genetic algorithm, the algorithm proposed reduces the problem space of the birefringent filter design to achieve faster speed and better performance. The design of 4-, 8-, and 14-section birefringent filters with an improved sidelobe suppression ratio is realized. A 4-section birefringent filter designed with the algorithm is experimentally realized.

Journal Article↗

PubMed2006

Performance comparison of iterative algorithms for generating digital correlation holograms used in optical security systems.

An optical security system based on a correlation between two separate binary computer-generated holograms has been developed and experimentally tested. The two holograms are designed using two different iterative algorithms: the projection- onto constrained sets algorithm and the direct binary search (DBS) algorithm. By placing the ready-to-use holograms on a modified joint transform correlator input plane, an output image is constructed as a result of a spatial correlation between the two functions coded by the holograms. Both simulation and experimental results are presented to demonstrate the system's performance. While we concentrate mainly on the DBS algorithm, we also compare the performance of both algorithms.

Journal Article↗

PubMed1985

Image reconstruction from coded data: I. Reconstruction algorithms and experimental results.

Two algorithms have been developed for reconstructing objects from their coded images and a priori knowledge of the object class. Reconstructions from both algorithms are presented, but the results appear to be largely independent of the algorithm used. One of the algorithms, a Monte Carlo approach, is used to investigate the quality of the reconstruction of two- and three-dimensional objects from simulated coded-image data with respect to viewing geometry and multiplexing (mixing) of the data. The cases examined include reconstructions from data with and without signal-dependent photon noise. It is found that reconstructing from multiplexed data is not so serious a problem as reconstructing from data obtained with a limited viewing angle. Also, when photon noise is included in the data, reconstructions obtained from multiplexed data are better than those obtained from unmultiplexed data because of the higher photon count made available by multiplexing. It appears that the fidelity of a reconstruction depends much more strongly on the design of the data-taking system (the coded apertures) than on the reconstruction algorithm.

Models, Structural↗

PubMed2004

Advanced iterative algorithm for phase extraction of randomly phase-shifted interferograms.

An advanced random phase-shifting algorithm to extract phase distributions from randomly phase-shifted interferograms is proposed. The algorithm is based on a least-squares iterative procedure, but it copes with the limitation of the existing iterative algorithms by separating a frame-to-frame iteration from a pixel-to-pixel iteration. The algorithm provides stable convergence and accurate phase extraction with as few as three interferograms, even when the phase shifts are completely random. The algorithm is simple, fast, and fully automatic. A computer simulation is conducted to prove the concept.

Journal Article↗

PubMed1982

Phased trial of a proven algorithm at a new primary care clinic.

A previous study showed that a clinical algorithm for respiratory illnesses, consisting of a checklist, a set of instructions (logic), and computer audit/feedback, could reduce costs significantly while maintaining a high quality of care. The results of this study show that the algorithm system, developed and validated at one primary care clinic, can be successfully imported to another primary care clinic. In the present study, the algorithm system significantly improved the completeness of the medical records, reduced the use of medical tests by 20 per cent-75 per cent, and reduced non-provider costs by 36 per cent per patient visit. This study also shows that all three components of the algorithm system appear to be necessary to achieve these improvements and maintain a high quality of medical care. These results suggest that a wider use of the algorithm system for minor acute medical problems is both feasible and useful in providing high-quality cost-effective care that is auditable.

Adult↗

PubMed2003

An improved trilinear decomposition algorithm based on a Lagrange operator.

An improved trilinear decomposition algorithm based on a Lagrange operator (LO) is developed in this paper, which introduces a Lagrange operator and penalty terms in the loss function to improve the performance of the algorithm. Compared to the traditional parallel factor (PARAFAC) algorithm, the algorithm not only may converge much faster, but also overcome the sensibility to estimate the number of components. A set of simulated and measured excitation/emission fluorescence data were treated by both the proposed and traditional PARAFAC algorithm to compare their efficiencies. The analytical results obtained with real chemical system containing aspirin and its metabolic products show that the trilinear decomposition methodology is a promising tool to obtain spectral and composition information from mixtures without chemical separation.

Journal Article↗