A variational approach for calculating Franck-Condon factors including mode-mode anharmonic coupling

We have implemented our new procedure for computing Franck-Condon factors utilizing vibrational configuration interaction based on a vibrational self-consistent field reference. Both Duschinsky rotations and anharmonic three-mode coupling are taken into account. Simulations of the first ionization band of Cl O2 and C4 H4 O (furan) using up to quadruple excitations in treating anharmonicity are reported and analyzed. A developer version of the MIDASCPP code was employed to obtain the required anharmonic vibrational integrals and transition frequencies

Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene

Our new simple method for calculating accurate Franck-Condon factors including nondiagonal (i.e., mode-mode) anharmonic coupling is used to simulate the C2H4+X2B 3u←C2H4X̃1 Ag band in the photoelectron spectrum. An improved vibrational basis set truncation algorithm, which permits very efficient computations, is employed. Because the torsional mode is highly anharmonic it is separated from the other modes and treated exactly. All other modes are treated through the second-order perturbation theory. The perturbation-theory corrections are significant and lead to a good agreement with experiment, although the separability assumption for torsion causes the C2 D4 results to be not as good as those for C2 H4. A variational formulation to overcome this circumstance, and deal with large anharmonicities in general, is suggested

Fronts from complex two-dimensional dispersal kernels: theory and application to Reid's paradox

Bimodal dispersal probability distributions with characteristic distances differing by several orders of magnitude have been derived and favorably compared to observations by Nathan [Nature (London) 418, 409 (2002)]. For such bimodal kernels, we show that two-dimensional molecular dynamics computer simulations are unable to yield accurate front speeds. Analytically, the usual continuous-space random walks (CSRWs) are applied to two dimensions. We also introduce discrete-space random walks and use them to check the CSRW results (because of the inefficiency of the numerical simulations). The physical results reported are shown to predict front speeds high enough to possibly explain Reid's paradox of rapid tree migration. We also show that, for a time-ordered evolution equation, fronts are always slower in two dimensions than in one dimension and that this difference is important both for unimodal and for bimodal kernels

DEL FESTIVAL A LA ACADEMIA. Informe sobre la institucionalización de una disciplina híbrida (arte digital)

Aquest document és un esborrany. Amb l'objectiu d'aprofundir en el procés d'institucionalització, vam dissenyar una investigació empírica que permetés visualitzar les tendències discursives i àmbits d'activitats de les pràctiques relacionades amb les interseccions entre l'art, la ciència i la tecnologia. La metodologia va consistir en la implementació de tres bases de dades que recullen l'activitat dels últims anys en relació a: 1) els congressos (i festivals associats) realitzats a nivell internacional 2) les publicacions acadèmiques i divulgatives centrades en aquest àmbit interdisciplinar 3) els programes acadèmics.

Multi-scale label interaction to improve object detection and segmentation

The project aims at advancing the state of the art in the use of context information for classification of image and video data. The use of context in the classification of images has been showed of great importance to improve the performance of actual object recognition systems. In our project we proposed the concept of Multi-scale Feature Labels as a general and compact method to exploit the local and global context. The feature extraction from the discriminative probability or classification confidence label field is of great novelty. Moreover the use of a multi-scale representation of the feature labels lead to a compact and efficient description of the context. The goal of the project has been also to provide a general-purpose method and prove its suitability in different image/video analysis problem. The two-year project generated 5 journal publications (plus 2 under submission), 10 conference publications (plus 2 under submission) and one patent (plus 1 pending). Of these publications, a relevant number make use of the main result of this project to improve the results in detection and/or segmentation of objects.

Motion capture amb Microsoft Kinect

El proyecto trata de convertirse en una herramienta para animadores 3D, tanto para los que hacen películas como para los que modelan videojuegos, que necesiten de un software para simplificar el trabajo que conlleva animar un modelo 3D. Todo sin necesidad de usar trajes especializados. El proyecto, usando Kinect, convertirá los movimientos captados por la cámara y los agregará al modelo, creando una animación basándose en los movimientos reales de una persona.

Creación de una demo 3D mediante gráficos procedurales

Aquest projecte consisteix en el desenvolupament d’una demo 3D utilitzant exclusivament gràfics procedurals per tal d’avaluar la seva viabilitat en aplicacions més complexes com els videojocs. En aquesta aplicació es genera un terreny aleatori explorable amb vegetació i textures creades proceduralment.

Suitability of GRIND-based principal properties for the description of molecular similarity and ligand-based virtual screening

The information provided by the alignment-independent GRid Independent Descriptors (GRIND) can be condensed by the application of principal component analysis, obtaining a small number of principal properties (GRIND-PP), which is more suitable for describing molecular similarity. The objective of the present study is to optimize diverse parameters involved in the obtention of the GRIND-PP and validate their suitability for applications, requiring a biologically relevant description of the molecular similarity. With this aim, GRIND-PP computed with a collection of diverse settings were used to carry out ligand-based virtual screening (LBVS) on standard conditions. The quality of the results obtained was remarkable and comparable with other LBVS methods, and their detailed statistical analysis allowed to identify the method settings more determinant for the quality of the results and their optimum. Remarkably, some of these optimum settings differ significantly from those used in previously published applications, revealing their unexplored potential. Their applicability in large compound database was also explored by comparing the equivalence of the results obtained using either computed or projected principal properties. In general, the results of the study confirm the suitability of the GRIND-PP for practical applications and provide useful hints about how they should be computed for obtaining optimum results.

Cross recurrence quantification for cover song identification

There is growing evidence that nonlinear time series analysis techniques can be used to successfully characterize, classify, or process signals derived from realworld dynamics even though these are not necessarily deterministic and stationary. In the present study we proceed in this direction by addressing an important problem our modern society is facing, the automatic classification of digital information. In particular, we address the automatic identification of cover songs, i.e. alternative renditions of a previously recorded musical piece. For this purpose we here propose a recurrence quantification analysis measure that allows tracking potentially curved and disrupted traces in cross recurrence plots. We apply this measure to cross recurrence plots constructed from the state space representation of musical descriptor time series extracted from the raw audio signal. We show that our method identifies cover songs with a higher accuracy as compared to previously published techniques. Beyond the particular application proposed here, we discuss how our approach can be useful for the characterization of a variety of signals from different scientific disciplines. We study coupled Rössler dynamics with stochastically modulated mean frequencies as one concrete example to illustrate this point.

Predictability of music descriptor time series and its application to cover song detection

Intuitively, music has both predictable and unpredictable components. In this work we assess this qualitative statement in a quantitative way using common time series models fitted to state-of-the-art music descriptors. These descriptors cover different musical facets and are extracted from a large collection of real audio recordings comprising a variety of musical genres. Our findings show that music descriptor time series exhibit a certain predictability not only for short time intervals, but also for mid-term and relatively long intervals. This fact is observed independently of the descriptor, musical facet and time series model we consider. Moreover, we show that our findings are not only of theoretical relevance but can also have practical impact. To this end we demonstrate that music predictability at relatively long time intervals can be exploited in a real-world application, namely the automatic identification of cover songs (i.e. different renditions or versions of the same musical piece). Importantly, this prediction strategy yields a parameter-free approach for cover song identification that is substantially faster, allows for reduced computational storage and still maintains highly competitive accuracies when compared to state-of-the-art systems.

Voice Transformations for Extreme Vocal Effects

Extreme Vocal Effects (EVE) in music are so recent that few studies have been carried out about how they are physiologically produced and whether they are harmful or not for the human voice.Voice Transformations in real-time are possible nowadays thanks to new technologies and voice processing algorithms. This Master's Thesis pretends to define and classify these new singing techniques and to create a mapping between the physiological aspect of each EVE to its relative spectrumvariations.Voice Transformation Models based on these mappings are proposed and discussed for each one of these EVEs. We also discuss different transformation methods and strategies in order to obtain better results.A subjective evaluation of the results of the transformations is also presented and discussed along with further work, improvements, and working lines on this field.

Experiencias persuasivas: construcción de un protocolo para el análisis de la persuasión en los videojuegos

A pesar de que cada vez son más las investigaciones vinculadas al análisis de los videojuegos, pocas son las orientadas a determinar la articulación de su dimensión persuasiva. Partiendo principalmente de los trabajos de Ian Bogost y Gonzalo Frasca sobre la persuasión, se resiguen las carencias metodológicas de los modelos planteados y se proponen una serie de hipótesis orientadas a la búsqueda de una metodología que posibilite dar respuesta a la siguiente pregunta: ¿Cómo y dónde se articula la dimensión persuasiva de los videojuegos?En este sentido se trata de estudiar la dimensión persuasiva en los videojuegos de manera integral. La supuesta capacidad de las reglas de juego, propiedad intrínseca de los juegos y videojuegos, de determinar tanto la estructura narrativa como la parte audio/visual del texto (videojuego), así como su condición esencial de ser las portadoras de la carga persuasiva, permite apuntar como objetivo fundamental el diseño de un protocolo integral de la persuasión en los videojuegos

Classificació de sons percussius amb un model generatiu

El treball que presentem a continuació desenvolupa un marc teòric i pràctic per a l'avaluació i estudi d'un model generatiu aplicat a tasques discriminatives de senyals sonores sense component harmònica. El model generatiu està basat en la construcció de l'anomenada deep belief network, un tipus de xarxa neuronal generativa que permet realitzar tasques de classificació i regressió com també de reconstrucció dels seus estats interns.A partir de l'anàlisi realitzada hem pogut obtenir resultats en classificació aparellats amb els resultats de l'estat de l'art de classificadors de sons inharmònics. Tot i no establir una clara superioritat envers altres mètodes, el present treball ha permés desenvolupar una anàlisi per almodel avaluat amb moltes possibilitats de millora en un futur per altres treballs. Al llarg del treball es demostra la seva eficàcia en tasques discriminatives, com també la capacitat de reduir la dimensionalitat de les dades d'entrada al model i les possibilitats de reconstruir els seus estats interns per a obtenir unes sortides de dades de la xarxa similars a les entrades de descriptors.El desenvolupament centrat en la deep belief network ens ha permés construir un entorn unificat d'avaluació de diferents mètodes d'aprenentatge, construcció i adequació de diferents descriptors sonors i una posterior visualització d'estats interns del mateix, que han possibilitat una avaluaciócomparativa i unificada respecte altres mètodes classificadors de l'estat de l'art. També ens ha permés desenvolupar una implementació en un llenguatge d'alt nivell, que ha reportat més significància per a l'enteniment i anàlisi del model avaluat, amb una argumentació més sòlida.Els resultats i l'anàlisi que reportem són significatius i positius per al model avaluat, i degut a la poca literatura existent en el camp de classificació de sons inharmònics com els sons percussius,creiem que és una aportació interessant i significativa per al camp en el que s'engloba el treball.

DigitalJukebox: desarrollo de una aplicación musical interactiva

DigitalJukebox es un sistema interactivo de visualización de elementos musicales, diseñado para ser instalado en un contexto semipúblico, como por ejemplo un bar. El funcionamiento de este sistema está inspirado en las antiguas máquinas de discos, de modo que permite a losusuarios elegir la música que quieren escuchar durante su estancia en el local. A su vez, DigitalJukebox ofrece un valor añadido con respecto a la tradicional máquina de discos: además de la música, muestra el videoclip de la canción y una serie de imágenes del artista seleccionado.Así pues, este proyecto abarca las diferentes fases de creación del sistema: la definición del problema, el estudio del trabajo existente en este ámbito, el análisis de los requerimientos de losusuarios, el diseño del sistema, su implementación y la evaluación final con usuarios.