987 resultados para Molecular quantum similarity measures
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Cochlear implants are neuroprostheses that are inserted into the inner ear to directly electrically stimulate the auditory nerve, thus replacing lost cochlear receptors, the hair cells. The reduction of the gap between electrodes and nerve cells will contribute to technological solutions simultaneously increasing the frequency resolution, the sound quality and the amplification of the signal. Recent findings indicate that neurotrophins (NTs) such as brain derived neurotrophic factor (BDNF) stimulate the neurite outgrowth of auditory nerve cells by activating Trk receptors on the cellular surface (1–3). Furthermore, small-size TrkB receptor agonists such as di-hydroxyflavone (DHF) are now available, which activate the TrkB receptor with similar efficiency as BDNF, but are much more stable (4). Experimentally, such molecules are currently used to attract nerve cells towards, for example, the electrodes of cochlear implants. This paper analyses the scenarios of low dose aspects of controlled release of small-size Trk receptor agonists from the coated CI electrode array into the inner ear. The control must first ensure a sufficient dose for the onset of neurite growth. Secondly, a gradient in concentration needs to be maintained to allow directive growth of neurites through the perilymph-filled gap towards the electrodes of the implant. We used fluorescein as a test molecule for its molecular size similarity to DHF and investigated two different transport mechanisms of drug dispensing, which both have the potential to fulfil controlled low-throughput drug-deliverable requirements. The first is based on the release of aqueous fluorescein into water through well-defined 60-μm size holes arrays in a membrane by pure osmosis. The release was both simulated using the software COMSOL and observed experimentally. In the second approach, solid fluorescein crystals were encapsulated in a thin layer of parylene (PPX), hence creating random nanometer-sized pinholes. In this approach, the release occurred due to subsequent water diffusion through the pinholes, dissolution of the fluorescein and then release by out-diffusion. Surprisingly, the release rate of solid fluorescein through the nanoscopic scale holes was found to be in the same order of magnitude as for liquid fluorescein release through microscopic holes.
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Twitter lists organise Twitter users into multiple, often overlapping, sets. We believe that these lists capture some form of emergent semantics, which may be useful to characterise. In this paper we describe an approach for such characterisation, which consists of deriving semantic relations between lists and users by analyzing the cooccurrence of keywords in list names. We use the vector space model and Latent Dirichlet Allocation to obtain similar keywords according to co-occurrence patterns. These results are then compared to similarity measures relying on WordNet and to existing Linked Data sets. Results show that co-occurrence of keywords based on members of the lists produce more synonyms and more correlated results to that of WordNet similarity measures.
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En los modelos promovidos por las normativas internacionales de análisis de riesgos en los sistemas de información, los activos están interrelacionados entre sí, de modo que un ataque sobre uno de ellos se puede transmitir a lo largo de toda la red, llegando a alcanzar a los activos más valiosos para la organización. Es necesario entonces asignar el valor de todos los activos, así como las relaciones de dependencia directas e indirectas entre estos, o la probabilidad de materialización de una amenaza y la degradación que ésta puede provocar sobre los activos. Sin embargo, los expertos encargados de asignar tales valores, a menudo aportan información vaga e incierta, de modo que las técnicas difusas pueden ser muy útiles en este ámbito. Pero estas técnicas no están libres de ciertas dificultades, como la necesidad de uso de una aritmética adecuada al modelo o el establecimiento de medidas de similitud apropiadas. En este documento proponemos un tratamiento difuso para los modelos de análisis de riesgos promovidos por las metodologías internacionales, mediante el establecimiento de tales elementos.Abstract— Assets are interrelated in risk analysis methodologies for information systems promoted by international standards. This means that an attack on one asset can be propagated through the network and threaten an organization’s most valuable assets. It is necessary to valuate all assets, the direct and indirect asset dependencies, as well as the probability of threats and the resulting asset degradation. However, the experts in charge to assign such values often provide only vague and uncertain information. Fuzzy logic can be very helpful in such situation, but it is not free of some difficulties, such as the need of a proper arithmetic to the model under consideration or the establishment of appropriate similarity measures. Throughout this paper we propose a fuzzy treatment for risk analysis models promoted by international methodologies through the establishment of such elements.
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En esta tesis se estudia la representación, modelado y comparación de colecciones mediante el uso de ontologías en el ámbito de la Web Semántica. Las colecciones, entendidas como agrupaciones de objetos o elementos con entidad propia, son construcciones que aparecen frecuentemente en prácticamente todos los dominios del mundo real, y por tanto, es imprescindible disponer de conceptualizaciones de estas estructuras abstractas y de representaciones de estas conceptualizaciones en los sistemas informáticos, que definan adecuadamente su semántica. Mientras que en muchos ámbitos de la Informática y la Inteligencia Artificial, como por ejemplo la programación, las bases de datos o la recuperación de información, las colecciones han sido ampliamente estudiadas y se han desarrollado representaciones que responden a multitud de conceptualizaciones, en el ámbito de la Web Semántica, sin embargo, su estudio ha sido bastante limitado. De hecho hasta la fecha existen pocas propuestas de representación de colecciones mediante ontologías, y las que hay sólo cubren algunos tipos de colecciones y presentan importantes limitaciones. Esto impide la representación adecuada de colecciones y dificulta otras tareas comunes como la comparación de colecciones, algo crítico en operaciones habituales como las búsquedas semánticas o el enlazado de datos en la Web Semántica. Para solventar este problema esta tesis hace una propuesta de modelización de colecciones basada en una nueva clasificación de colecciones de acuerdo a sus características estructurales (homogeneidad, unicidad, orden y cardinalidad). Esta clasificación permite definir una taxonomía con hasta 16 tipos de colecciones distintas. Entre otras ventajas, esta nueva clasificación permite aprovechar la semántica de las propiedades estructurales de cada tipo de colección para realizar comparaciones utilizando las funciones de similitud y disimilitud más apropiadas. De este modo, la tesis desarrolla además un nuevo catálogo de funciones de similitud para las distintas colecciones, donde se han recogido las funciones de (di)similitud más conocidas y también algunas nuevas. Esta propuesta se ha implementado mediante dos ontologías paralelas, la ontología E-Collections, que representa los distintos tipos de colecciones de la taxonomía y su axiomática, y la ontología SIMEON (Similarity Measures Ontology) que representa los tipos de funciones de (di)similitud para cada tipo de colección. Gracias a estas ontologías, para comparar dos colecciones, una vez representadas como instancias de la clase más apropiada de la ontología E-Collections, automáticamente se sabe qué funciones de (di)similitud de la ontología SIMEON pueden utilizarse para su comparación. Abstract This thesis studies the representation, modeling and comparison of collections in the Semantic Web using ontologies. Collections, understood as groups of objects or elements with their own identities, are constructions that appear frequently in almost all areas of the real world. Therefore, it is essential to have conceptualizations of these abstract structures and representations of these conceptualizations in computer systems, that define their semantic properly. While in many areas of Computer Science and Artificial Intelligence, such as Programming, Databases or Information Retrieval, the collections have been extensively studied and there are representations that match many conceptualizations, in the field Semantic Web, however, their study has been quite limited. In fact, there are few representations of collections using ontologies so far, and they only cover some types of collections and have important limitations. This hinders a proper representation of collections and other common tasks like comparing collections, something critical in usual operations such as semantic search or linking data on the Semantic Web. To solve this problem this thesis makes a proposal for modelling collections based on a new classification of collections according to their structural characteristics (homogeneity, uniqueness, order and cardinality). This classification allows to define a taxonomy with up to 16 different types of collections. Among other advantages, this new classification can leverage the semantics of the structural properties of each type of collection to make comparisons using the most appropriate (dis)similarity functions. Thus, the thesis also develops a new catalog of similarity functions for the different types of collections. This catalog contains the most common (dis)similarity functions as well as new ones. This proposal is implemented through two parallel ontologies, the E-Collections ontology that represents the different types of collections in the taxonomy and their axiomatic, and the SIMEON ontology (Similarity Measures Ontology) that represents the types of (dis)similarity functions for each type of collection. Thanks to these ontologies, to compare two collections, once represented as instances of the appropriate class of E-Collections ontology, we can know automatically which (dis)similarity functions of the SIMEON ontology are suitable for the comparison. Finally, the feasibility and usefulness of this modeling and comparison of collections proposal is proved in the field of oenology, applying both E-Collections and SIMEON ontologies to the representation and comparison of wines with the E-Baco ontology.
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Short text messages a.k.a Microposts (e.g. Tweets) have proven to be an effective channel for revealing information about trends and events, ranging from those related to Disaster (e.g. hurricane Sandy) to those related to Violence (e.g. Egyptian revolution). Being informed about such events as they occur could be extremely important to authorities and emergency professionals by allowing such parties to immediately respond. In this work we study the problem of topic classification (TC) of Microposts, which aims to automatically classify short messages based on the subject(s) discussed in them. The accurate TC of Microposts however is a challenging task since the limited number of tokens in a post often implies a lack of sufficient contextual information. In order to provide contextual information to Microposts, we present and evaluate several graph structures surrounding concepts present in linked knowledge sources (KSs). Traditional TC techniques enrich the content of Microposts with features extracted only from the Microposts content. In contrast our approach relies on the generation of different weighted semantic meta-graphs extracted from linked KSs. We introduce a new semantic graph, called category meta-graph. This novel meta-graph provides a more fine grained categorisation of concepts providing a set of novel semantic features. Our findings show that such category meta-graph features effectively improve the performance of a topic classifier of Microposts. Furthermore our goal is also to understand which semantic feature contributes to the performance of a topic classifier. For this reason we propose an approach for automatic estimation of accuracy loss of a topic classifier on new, unseen Microposts. We introduce and evaluate novel topic similarity measures, which capture the similarity between the KS documents and Microposts at a conceptual level, considering the enriched representation of these documents. Extensive evaluation in the context of Emergency Response (ER) and Violence Detection (VD) revealed that our approach outperforms previous approaches using single KS without linked data and Twitter data only up to 31.4% in terms of F1 measure. Our main findings indicate that the new category graph contains useful information for TC and achieves comparable results to previously used semantic graphs. Furthermore our results also indicate that the accuracy of a topic classifier can be accurately predicted using the enhanced text representation, outperforming previous approaches considering content-based similarity measures. © 2014 Elsevier B.V. All rights reserved.
Resumo:
This paper considers the problem of low-dimensional visualisation of very high dimensional information sources for the purpose of situation awareness in the maritime environment. In response to the requirement for human decision support aids to reduce information overload (and specifically, data amenable to inter-point relative similarity measures) appropriate to the below-water maritime domain, we are investigating a preliminary prototype topographic visualisation model. The focus of the current paper is on the mathematical problem of exploiting a relative dissimilarity representation of signals in a visual informatics mapping model, driven by real-world sonar systems. A realistic noise model is explored and incorporated into non-linear and topographic visualisation algorithms building on the approach of [9]. Concepts are illustrated using a real world dataset of 32 hydrophones monitoring a shallow-water environment in which targets are present and dynamic.
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This dissertation develops an image processing framework with unique feature extraction and similarity measurements for human face recognition in the thermal mid-wave infrared portion of the electromagnetic spectrum. The goals of this research is to design specialized algorithms that would extract facial vasculature information, create a thermal facial signature and identify the individual. The objective is to use such findings in support of a biometrics system for human identification with a high degree of accuracy and a high degree of reliability. This last assertion is due to the minimal to no risk for potential alteration of the intrinsic physiological characteristics seen through thermal infrared imaging. The proposed thermal facial signature recognition is fully integrated and consolidates the main and critical steps of feature extraction, registration, matching through similarity measures, and validation through testing our algorithm on a database, referred to as C-X1, provided by the Computer Vision Research Laboratory at the University of Notre Dame. Feature extraction was accomplished by first registering the infrared images to a reference image using the functional MRI of the Brain’s (FMRIB’s) Linear Image Registration Tool (FLIRT) modified to suit thermal infrared images. This was followed by segmentation of the facial region using an advanced localized contouring algorithm applied on anisotropically diffused thermal images. Thermal feature extraction from facial images was attained by performing morphological operations such as opening and top-hat segmentation to yield thermal signatures for each subject. Four thermal images taken over a period of six months were used to generate thermal signatures and a thermal template for each subject, the thermal template contains only the most prevalent and consistent features. Finally a similarity measure technique was used to match signatures to templates and the Principal Component Analysis (PCA) was used to validate the results of the matching process. Thirteen subjects were used for testing the developed technique on an in-house thermal imaging system. The matching using an Euclidean-based similarity measure showed 88% accuracy in the case of skeletonized signatures and templates, we obtained 90% accuracy for anisotropically diffused signatures and templates. We also employed the Manhattan-based similarity measure and obtained an accuracy of 90.39% for skeletonized and diffused templates and signatures. It was found that an average 18.9% improvement in the similarity measure was obtained when using diffused templates. The Euclidean- and Manhattan-based similarity measure was also applied to skeletonized signatures and templates of 25 subjects in the C-X1 database. The highly accurate results obtained in the matching process along with the generalized design process clearly demonstrate the ability of the thermal infrared system to be used on other thermal imaging based systems and related databases. A novel user-initialization registration of thermal facial images has been successfully implemented. Furthermore, the novel approach at developing a thermal signature template using four images taken at various times ensured that unforeseen changes in the vasculature did not affect the biometric matching process as it relied on consistent thermal features.
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What role do state party organizations play in twenty-first century American politics? What is the nature of the relationship between the state and national party organizations in contemporary elections? These questions frame the three studies presented in this dissertation. More specifically, I examine the organizational development of the state party organizations and the strategic interactions and connections between the state and national party organizations in contemporary elections.
In the first empirical chapter, I argue that the Internet Age represents a significant transitional period for state party organizations. Using data collected from surveys of state party leaders, this chapter reevaluates and updates existing theories of party organizational strength and demonstrates the importance of new indicators of party technological capacity to our understanding of party organizational development in the early twenty-first century. In the second chapter, I ask whether the national parties utilize different strategies in deciding how to allocate resources to state parties through fund transfers and through the 50-state-strategy party-building programs that both the Democratic and Republican National Committees advertised during the 2010 elections. Analyzing data collected from my 2011 state party survey and party-fund-transfer data collected from the Federal Election Commission, I find that the national parties considered a combination of state and national electoral concerns in directing assistance to the state parties through their 50-state strategies, as opposed to the strict battleground-state strategy that explains party fund transfers. In my last chapter, I examine the relationships between platforms issued by Democratic and Republican state and national parties and the strategic considerations that explain why state platforms vary in their degree of similarity to the national platform. I analyze an extensive platform dataset, using cluster analysis and document similarity measures to compare platform content across the 1952 to 2014 period. The analysis shows that, as a group, Democratic and Republican state platforms exhibit greater intra-party homogeneity and inter-party heterogeneity starting in the early 1990s, and state-national platform similarity is higher in states that are key players in presidential elections, among other factors. Together, these three studies demonstrate the significance of the state party organizations and the state-national party partnership in contemporary politics.
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Conceptual interpretation of languages has gathered peak interest in the world of artificial intelligence. The challenge in modeling various complications involved in a language is the main motivation behind our work. Our main focus in this work is to develop conceptual graphical representation for image captions. We have used discourse representation structure to gain semantic information which is further modeled into a graphical structure. The effectiveness of the model is evaluated by a caption based image retrieval system. The image retrieval is performed by computing subgraph based similarity measures. Best retrievals were given an average rating of . ± . out of 4 by a group of 25 human judges. The experiments were performed on a subset of the SBU Captioned Photo Dataset. This purpose of this work is to establish the cognitive sensibility of the approach to caption representations
Resumo:
Conceptual interpretation of languages has gathered peak interest in the world of artificial intelligence. The challenge in modeling various complications involved in a language is the main motivation behind our work. Our main focus in this work is to develop conceptual graphical representation for image captions. We have used discourse representation structure to gain semantic information which is further modeled into a graphical structure. The effectiveness of the model is evaluated by a caption based image retrieval system. The image retrieval is performed by computing subgraph based similarity measures. Best retrievals were given an average rating of . ± . out of 4 by a group of 25 human judges. The experiments were performed on a subset of the SBU Captioned Photo Dataset. This purpose of this work is to establish the cognitive sensibility of the approach to caption representations.
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Quantum molecular similarity (QMS) techniques are used to assess the response of the electron density of various small molecules to application of a static, uniform electric field. Likewise, QMS is used to analyze the changes in electron density generated by the process of floating a basis set. The results obtained show an interrelation between the floating process, the optimum geometry, and the presence of an external field. Cases involving the Le Chatelier principle are discussed, and an insight on the changes of bond critical point properties, self-similarity values and density differences is performed
Resumo:
Quantum molecular similarity (QMS) techniques are used to assess the response of the electron density of various small molecules to application of a static, uniform electric field. Likewise, QMS is used to analyze the changes in electron density generated by the process of floating a basis set. The results obtained show an interrelation between the floating process, the optimum geometry, and the presence of an external field. Cases involving the Le Chatelier principle are discussed, and an insight on the changes of bond critical point properties, self-similarity values and density differences is performed
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We propose an alternative fidelity measure (namely, a measure of the degree of similarity) between quantum states and benchmark it against a number of properties of the standard Uhlmann-Jozsa fidelity. This measure is a simple function of the linear entropy and the Hilbert-Schmidt inner product between the given states and is thus, in comparison, not as computationally demanding. It also features several remarkable properties such as being jointly concave and satisfying all of Jozsa's axioms. The trade-off, however, is that it is supermultiplicative and does not behave monotonically under quantum operations. In addition, metrics for the space of density matrices are identified and the joint concavity of the Uhlmann-Jozsa fidelity for qubit states is established.
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With growing success in experimental implementations it is critical to identify a gold standard for quantum information processing, a single measure of distance that can be used to compare and contrast different experiments. We enumerate a set of criteria that such a distance measure must satisfy to be both experimentally and theoretically meaningful. We then assess a wide range of possible measures against these criteria, before making a recommendation as to the best measures to use in characterizing quantum information processing.
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The dynamic polarizability and optical absorption spectrum of liquid water in the 6-15 eV energy range are investigated by a sequential molecular dynamics (MD)/quantum mechanical approach. The MD simulations are based on a polarizable model for liquid water. Calculation of electronic properties relies on time-dependent density functional and equation-of-motion coupled-cluster theories. Results for the dynamic polarizability, Cauchy moments, S(-2), S(-4), S(-6), and dielectric properties of liquid water are reported. The theoretical predictions for the optical absorption spectrum of liquid water are in good agreement with experimental information.