10 resultados para Molecular quantum similarity measures

em Doria (National Library of Finland DSpace Services) - National Library of Finland, Finland


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Luokittelujärjestelmää suunniteltaessa tarkoituksena on rakentaa systeemi, joka pystyy ratkaisemaan mahdollisimman tarkasti tutkittavan ongelma-alueen. Hahmontunnistuksessa tunnistusjärjestelmän ydin on luokitin. Luokittelun sovellusaluekenttä on varsin laaja. Luokitinta tarvitaan mm. hahmontunnistusjärjestelmissä, joista kuvankäsittely toimii hyvänä esimerkkinä. Myös lääketieteen parissa tarkkaa luokittelua tarvitaan paljon. Esimerkiksi potilaan oireiden diagnosointiin tarvitaan luokitin, joka pystyy mittaustuloksista päättelemään mahdollisimman tarkasti, onko potilaalla kyseinen oire vai ei. Väitöskirjassa on tehty similaarisuusmittoihin perustuva luokitin ja sen toimintaa on tarkasteltu mm. lääketieteen paristatulevilla data-aineistoilla, joissa luokittelutehtävänä on tunnistaa potilaan oireen laatu. Väitöskirjassa esitetyn luokittimen etuna on sen yksinkertainen rakenne, josta johtuen se on helppo tehdä sekä ymmärtää. Toinen etu on luokittimentarkkuus. Luokitin saadaan luokittelemaan useita eri ongelmia hyvin tarkasti. Tämä on tärkeää varsinkin lääketieteen parissa, missä jo pieni tarkkuuden parannus luokittelutuloksessa on erittäin tärkeää. Väitöskirjassa ontutkittu useita eri mittoja, joilla voidaan mitata samankaltaisuutta. Mitoille löytyy myös useita parametreja, joille voidaan etsiä juuri kyseiseen luokitteluongelmaan sopivat arvot. Tämä parametrien optimointi ongelma-alueeseen sopivaksi voidaan suorittaa mm. evoluutionääri- algoritmeja käyttäen. Kyseisessä työssä tähän on käytetty geneettistä algoritmia ja differentiaali-evoluutioalgoritmia. Luokittimen etuna on sen joustavuus. Ongelma-alueelle on helppo vaihtaa similaarisuusmitta, jos kyseinen mitta ei ole sopiva tutkittavaan ongelma-alueeseen. Myös eri mittojen parametrien optimointi voi parantaa tuloksia huomattavasti. Kun käytetään eri esikäsittelymenetelmiä ennen luokittelua, tuloksia pystytään parantamaan.

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Due to the large number of characteristics, there is a need to extract the most relevant characteristicsfrom the input data, so that the amount of information lost in this way is minimal, and the classification realized with the projected data set is relevant with respect to the original data. In order to achieve this feature extraction, different statistical techniques, as well as the principal components analysis (PCA) may be used. This thesis describes an extension of principal components analysis (PCA) allowing the extraction ofa finite number of relevant features from high-dimensional fuzzy data and noisy data. PCA finds linear combinations of the original measurement variables that describe the significant variation in the data. The comparisonof the two proposed methods was produced by using postoperative patient data. Experiment results demonstrate the ability of using the proposed two methods in complex data. Fuzzy PCA was used in the classificationproblem. The classification was applied by using the similarity classifier algorithm where total similarity measures weights are optimized with differential evolution algorithm. This thesis presents the comparison of the classification results based on the obtained data from the fuzzy PCA.

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The ongoing development of the digital media has brought a new set of challenges with it. As images containing more than three wavelength bands, often called spectral images, are becoming a more integral part of everyday life, problems in the quality of the RGB reproduction from the spectral images have turned into an important area of research. The notion of image quality is often thought to comprise two distinctive areas – image quality itself and image fidelity, both dealing with similar questions, image quality being the degree of excellence of the image, and image fidelity the measure of the match of the image under study to the original. In this thesis, both image fidelity and image quality are considered, with an emphasis on the influence of color and spectral image features on both. There are very few works dedicated to the quality and fidelity of spectral images. Several novel image fidelity measures were developed in this study, which include kernel similarity measures and 3D-SSIM (structural similarity index). The kernel measures incorporate the polynomial, Gaussian radial basis function (RBF) and sigmoid kernels. The 3D-SSIM is an extension of a traditional gray-scale SSIM measure developed to incorporate spectral data. The novel image quality model presented in this study is based on the assumption that the statistical parameters of the spectra of an image influence the overall appearance. The spectral image quality model comprises three parameters of quality: colorfulness, vividness and naturalness. The quality prediction is done by modeling the preference function expressed in JNDs (just noticeable difference). Both image fidelity measures and the image quality model have proven to be effective in the respective experiments.

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This study presents an automatic, computer-aided analytical method called Comparison Structure Analysis (CSA), which can be applied to different dimensions of music. The aim of CSA is first and foremost practical: to produce dynamic and understandable representations of musical properties by evaluating the prevalence of a chosen musical data structure through a musical piece. Such a comparison structure may refer to a mathematical vector, a set, a matrix or another type of data structure and even a combination of data structures. CSA depends on an abstract systematic segmentation that allows for a statistical or mathematical survey of the data. To choose a comparison structure is to tune the apparatus to be sensitive to an exclusive set of musical properties. CSA settles somewhere between traditional music analysis and computer aided music information retrieval (MIR). Theoretically defined musical entities, such as pitch-class sets, set-classes and particular rhythm patterns are detected in compositions using pattern extraction and pattern comparison algorithms that are typical within the field of MIR. In principle, the idea of comparison structure analysis can be applied to any time-series type data and, in the music analytical context, to polyphonic as well as homophonic music. Tonal trends, set-class similarities, invertible counterpoints, voice-leading similarities, short-term modulations, rhythmic similarities and multiparametric changes in musical texture were studied. Since CSA allows for a highly accurate classification of compositions, its methods may be applicable to symbolic music information retrieval as well. The strength of CSA relies especially on the possibility to make comparisons between the observations concerning different musical parameters and to combine it with statistical and perhaps other music analytical methods. The results of CSA are dependent on the competence of the similarity measure. New similarity measures for tonal stability, rhythmic and set-class similarity measurements were proposed. The most advanced results were attained by employing the automated function generation – comparable with the so-called genetic programming – to search for an optimal model for set-class similarity measurements. However, the results of CSA seem to agree strongly, independent of the type of similarity function employed in the analysis.

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In this study, feature selection in classification based problems is highlighted. The role of feature selection methods is to select important features by discarding redundant and irrelevant features in the data set, we investigated this case by using fuzzy entropy measures. We developed fuzzy entropy based feature selection method using Yu's similarity and test this using similarity classifier. As the similarity classifier we used Yu's similarity, we tested our similarity on the real world data set which is dermatological data set. By performing feature selection based on fuzzy entropy measures before classification on our data set the empirical results were very promising, the highest classification accuracy of 98.83% was achieved when testing our similarity measure to the data set. The achieved results were then compared with some other results previously obtained using different similarity classifiers, the obtained results show better accuracy than the one achieved before. The used methods helped to reduce the dimensionality of the used data set, to speed up the computation time of a learning algorithm and therefore have simplified the classification task

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The aim of this thesis is to present a solution to the quantum phase problem of the single-mode optical field. The solution is based on the use of phase shift covariant normalized positive operator measures. These measures describe realistic direct coherent state phase measurements such as the phase measurement schemes based on eight-port homodyne detection or heterodyne detection. The structure of covariant operator measures and, more generally, covariant sesquilinear form measures is analyzed in this work. Four different characterizations for phase shift covariant normalized positive operator measures are presented. The canonical covariant operator measure is definded and its properties are studied. Finally, some other suggested phase theories are introduced to investigate their connections to the covariant sesquilinear form measures.

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The questions studied in this thesis are centered around the moment operators of a quantum observable, the latter being represented by a normalized positive operator measure. The moment operators of an observable are physically relevant, in the sense that these operators give, as averages, the moments of the outcome statistics for the measurement of the observable. The main questions under consideration in this work arise from the fact that, unlike a projection valued observable of the von Neumann formulation, a general positive operator measure cannot be characterized by its first moment operator. The possibility of characterizing certain observables by also involving higher moment operators is investigated and utilized in three different cases: a characterization of projection valued measures among all the observables is given, a quantization scheme for unbounded classical variables using translation covariant phase space operator measures is presented, and, finally, a mathematically rigorous description is obtained for the measurements of rotated quadratures and phase space observables via the high amplitude limit in the balanced homodyne and eight-port homodyne detectors, respectively. In addition, the structure of the covariant phase space operator measures, which is essential for the above quantization, is analyzed in detail in the context of a (not necessarily unimodular) locally compact group as the phase space.

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Quantum computation and quantum communication are two of the most promising future applications of quantum mechanics. Since the information carriers used in both of them are essentially open quantum systems it is necessary to understand both quantum information theory and the theory of open quantum systems in order to investigate realistic implementations of such quantum technologies. In this thesis we consider the theory of open quantum systems from a quantum information theory perspective. The thesis is divided into two parts: review of the literature and original research. In the review of literature we present some important definitions and known results of open quantum systems and quantum information theory. We present the definitions of trace distance, two channel capacities and superdense coding capacity and give a reasoning why they can be used to represent the transmission efficiency of a communication channel. We also show derivations of some properties useful to link completely positive and trace preserving maps to trace distance and channel capacities. With the help of these properties we construct three measures of non-Markovianity and explain why they detect non-Markovianity. In the original research part of the thesis we study the non-Markovian dynamics in an experimentally realized quantum optical set-up. For general one-qubit dephasing channels we calculate the explicit forms of the two channel capacities and the superdense coding capacity. For the general two-qubit dephasing channel with uncorrelated local noises we calculate the explicit forms of the quantum capacity and the mutual information of a four-letter encoding. By using the dynamics in the experimental implementation as a set of specific dephasing channels we also calculate and compare the measures in one- and two-qubit dephasing channels and study the options of manipulating the environment to achieve revivals and higher transmission rates in superdense coding protocol with dephasing noise. Kvanttilaskenta ja kvanttikommunikaatio ovat kaksi puhutuimmista tulevaisuuden kvanttimekaniikan käytännön sovelluksista. Koska molemmissa näistä informaatio koodataan systeemeihin, jotka ovat oleellisesti avoimia kvanttisysteemejä, sekä kvantti-informaatioteorian, että avointen kvanttisysteemien tuntemus on välttämätöntä. Tässä tutkielmassa käsittelemme avointen kvanttisysteemien teoriaa kvantti-informaatioteorian näkökulmasta. Tutkielma on jaettu kahteen osioon: kirjallisuuskatsaukseen ja omaan tutkimukseen. Kirjallisuuskatsauksessa esitämme joitakin avointen kvanttisysteemien ja kvantti-informaatioteorian tärkeitä määritelmiä ja tunnettuja tuloksia. Esitämme jälkietäisyyden, kahden kanavakapasiteetin ja superdense coding -kapasiteetin määritelmät ja esitämme perustelun sille, miksi niitä voidaan käyttää kuvaamaan kommunikointikanavan lähetystehokkuutta. Näytämme myös todistukset kahdelle ominaisuudelle, jotka liittävät täyspositiiviset ja jäljensäilyttävät kuvaukset jälkietäisyyteen ja kanavakapasiteetteihin. Näiden ominaisuuksien avulla konstruoimme kolme epä-Markovisuusmittaa ja perustelemme, miksi ne havaitsevat dynamiikan epä-Markovisuutta. Oman tutkimuksen osiossa tutkimme epä-Markovista dynamiikkaa kokeellisesti toteutetussa kvanttioptisessa mittausjärjestelyssä. Yleisen yhden qubitin dephasing-kanavan tapauksessa laskemme molempien kanavakapasiteettien ja superdense coding -kapasiteetin eksplisiittiset muodot. Yleisen kahden qubitin korreloimattomien ympäristöjen dephasing-kanavan tapauksessa laskemme yhteisen informaation lausekkeen nelikirjaimisessa koodauksessa ja kvanttikanavakapasiteetin. Käyttämällä kokeellisen mittajärjestelyn dynamiikkoja esimerkki dephasing-kanavina me myös laskemme konstruoitujen epä-Markovisuusmittojen arvot ja vertailemme niitä yksi- ja kaksi-qubitti-dephasing-kanavissa. Lisäksi käyttäen kokeellisia esimerkkikanavia tutkimme, kuinka ympäristöä manipuloimalla superdense coding –skeemassa voidaan saada yhteinen informaatio ajoittain kasvamaan tai saavuttaa kaikenkaikkiaan korkeampi lähetystehokkuus.

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Optimization of quantum measurement processes has a pivotal role in carrying out better, more accurate or less disrupting, measurements and experiments on a quantum system. Especially, convex optimization, i.e., identifying the extreme points of the convex sets and subsets of quantum measuring devices plays an important part in quantum optimization since the typical figures of merit for measuring processes are affine functionals. In this thesis, we discuss results determining the extreme quantum devices and their relevance, e.g., in quantum-compatibility-related questions. Especially, we see that a compatible device pair where one device is extreme can be joined into a single apparatus essentially in a unique way. Moreover, we show that the question whether a pair of quantum observables can be measured jointly can often be formulated in a weaker form when some of the observables involved are extreme. Another major line of research treated in this thesis deals with convex analysis of special restricted quantum device sets, covariance structures or, in particular, generalized imprimitivity systems. Some results on the structure ofcovariant observables and instruments are listed as well as results identifying the extreme points of covariance structures in quantum theory. As a special case study, not published anywhere before, we study the structure of Euclidean-covariant localization observables for spin-0-particles. We also discuss the general form of Weyl-covariant phase-space instruments. Finally, certain optimality measures originating from convex geometry are introduced for quantum devices, namely, boundariness measuring how ‘close’ to the algebraic boundary of the device set a quantum apparatus is and the robustness of incompatibility quantifying the level of incompatibility for a quantum device pair by measuring the highest amount of noise the pair tolerates without becoming compatible. Boundariness is further associated to minimum-error discrimination of quantum devices, and robustness of incompatibility is shown to behave monotonically under certain compatibility-non-decreasing operations. Moreover, the value of robustness of incompatibility is given for a few special device pairs.

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The research on the interaction between radiation and biomolecules pro-vides valuable information for both radiobiology and molecular physics. While radiobiology is interested in the damage inflicted on the molecule upon irradiation, molecular physics exploits these studies to obtain infor-mation about the physical properties of the molecule and the quantum me-chanical processes involved in the interaction. This thesis work investigated how a small change in the structure or composition of a biomolecule changes the response of the molecule to ioniz-ing radiation. Altogether eight different biomolecules were studied: nucleo-sides uridine, 5-methyluridine and thymidine; amino acids alanine, cysteine and serine; and halogenated acetic acids chloro- and bromoacetic acids. The effect of ionizing radiation on these molecules was studied on molecular level, investigating the samples in gas phase. Synchrotron radiation of VUV or soft x-ray range was used to ionize sample molecules, and the subsequent fragmentation processes were investigated with ion mass spectroscopy and ion-ion-electron coincidence spectroscopy. The comparison between the three nucleosides revealed that adding or removing a single functional group can affect not only the bonds from which the molecule ruptures upon ionization but also the charge localiza-tion in the formed fragments. Studies on amino acids and halogenated acetic acids indicated that one simple substitution in the molecule can dramatical-ly change the extent of fragmentation. This thesis work also demonstrates that in order to steer the radiation-induced fragmentation of the molecules, it is not always necessary to alter the amount of energy deposited on the molecules but selecting a suitable substitution may suffice.