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The field of automatic program repair has adapteddeep learning techniques. Sequence to sequence neural networkshave successfully been applied in neural machine translation(NMT). This can also be applied to automatic program repair,attempting to translate buggy source code into fixed sourcecode. However, the frequent occurrence of user-defined variablesmakes the rare word problem a significant issue. Techniquesused in NMT to handle the rare word problem specifically bytepairing encoding (BPE) and the copy mechanism were appliedand evaluated on source code. The results showed that whenobserving the exact sequence match of the predicted output andtarget output, techniques were not an improvement. However,when observing correct syntax techniques outperformed theoriginal model without any techniques applied. To be able tosee an improvement in exact sequence match there should be agreater variety of sequence length and vocabulary size also, moreextensive hyperparameter tuning should be performed. / Inom området för automatisk mjukvarureparation har djupinlärningstekniker implementerats. Neurala nätverk av typen sekvens till sekvens har blivit framgångsrikt applicerade inom neural maskinöversättning av mänskliga språk. Dessa neurala nätverk kan också appliceras inom automatisk mjukvarureparation genom att översätta källkod innehållande buggar till en lagad kod utan buggar. Den frekventa användningen av användardefinierade variabler gör att ”the rare word problem” är en signifikant svaghet. Tekniker som används i neural maskinöversättning, ”byte pairing encoding” (BPE) och ”the copy mechanism” har applicerats och utvärderats på källkod. Resultaten visar att då modellens förutsagda utdata jämförs med det förväntat utdata visar teknikerna ingen förbättring. Dock hanterar nätverk med tekniker applicerade syntax för programmeringsspråket c avsevärt bättre. / Kandidatexjobb i elektroteknik 2020, KTH, Stockholm

Thèse numérisée par la Direction des bibliothèques de l'Université de Montréal. / This thesis provides evidence to support the hypothesis that synaptic plasticity in the primary somatosensory cortex is a cellular correlate of associative learning, that the process depends upon acetylcholine and that only certain cortical neurons display this plasticity. In a first series of experiments, single-imit recordings were carried out in the barrel cortex of awake, adult rats subjected to whisker pairing, an associative learning paradigm where deflections of the recorded neuron's principle vibrissa were repeatedly paired with those of a non-adjacent one. On average, this form of sensory preconditioning increased the responses of a recorded unit to the stimulation of the non-adjacent vibrissa. In contrast, following explicitly unpaired control experiments, neuronal responsiveness decreased. The effect of pairing was further enhanced by local, microiontophoretic delivery of NMDA and the nitric oxide synthase inhibitor L-NAME and reduced by the NMDA receptor competitive antagonist AP5. These results and the fact that the influence of the pharmacological agents on neuronal excitability were either transient (liinited to the delivery period) or simply absent indicated that the somatosensory cerebral cortex is one site where plasticity emerges following whisker pairing. In subsequent experiments, using a similar conditioning paradigm that relied on evoked potential rather than single-unit recordings, increases in the responses of cortical neurons to the non-adjacent whisker were blocked by atropine sulfate, an antagonist of muscarinic cholinoreceptors. Administration of norn-ial saline or atropine methyl nitrate, a muscarinic antagonist that did not cross the blood-brain barrier, instead of atropine sulfate, did not affect plasticity. Analysis of the behavioral state of the animal showed that the changes observed in the evoked potential could not be attributed to fluctuations m the behavioral state of the animal. By combining the results described in this thesis with data foimd in related literature, the author hypothesizes that whisker pairing induces an acetylcholine-dependent form of plasticity within the somatosensory cortex through Hebbian mechanisms.

Soft-Hard Active-Passive Embedded Structures (SHAPES) are composites that respond to the environments in which they are embedded. This reaction can be a mechanical actuation, but also an intrinsic computation that yields an adaptation as a result. The actuation capabilities primarily depend on the stiffness combination of the involved materials. Stiffness includes both material parameters (depending on the chosen material model, e.g., the Young's modulus) and geometry parameters (depending on the type of structure, e.g., the beam height). The active properties can be included using the Stimulus Expansion Model, which is based on the analogy of the active reponse to thermal expansion. SHAPES can be designed according to three different behaviors, Case I constrained, Case II combined and Case III free. In the current work, these cases, the modelling and design background, and various examples are presented.

The Chief Security Officer Problem (CSO) consists of a CSO, a group of agents trying to communicate with the CSO and a group of eavesdroppers trying to listen to the conversations between the CSO and its agents. Through Lemmas and Theorems, several Information Theoretic questions are answered.

This dissertation focuses on the design and study of charged aromatic molecules where weak π-π interactions synergize with electrostatic interactions to enhance the overall interaction between aromatic moieties. Each chapter investigates some aspect of this hypothetical synergy between electrostatics and π-face aromatic cohesion. The first chapter unveiled the importance of electrostatics in the intramolecular stacking of flexible aromatic molecular templates 1-2Br and 2a. While our previous studies found dicationic molecular template 1-2Br to have intramolecular π-stacking between electron poor pyridinium and electron rich xylylene moieties, no such stacking interaction was observed in the neutral analog 2a. Chapter two systematically explored the stacking pattern of electron poor aromatics in the form of oxygen- and / or nitrogen- substituted triangulenium cations, [1(NR)3]+ and [1(O)3(OH)3]+. As indicated in the chemical literature, triazatriangulenium cations [1(NR)3]+ with N- ethyl (and longer alkyl chains) chains were found to pack as face-to-face dimers. This study found the formation of columnar, face-to-face, n-meric association between aromatic cations in the structures with decreased steric interactions of the side chains in the stacking planes ([1(NMe)3]+ and [1(O)3(OH)3]+). Similar iso-structural triangulene based aromatic anions, (2)- and (3)2- didn’t indicate any facial interactions in the solid states. The possible synergy between unit charge electrostatics and π-face aromatic interactions was explored in aromatic ion pairs 1•2 of triangulene based aromatic cations and aromatic anions. This charge-assisted π-π stacking seems to be the novel way of getting strong π-system interactions where the strongest non-covalent force and the weakest non-covalent force: ionic bonding and π-stacking respectively synergize together. The π-π interaction between ionic aromatics in the solid state was investigated by means of single crystal x-ray diffraction and powder x-ray diffraction (PXRD). The interaction in the solution state was examined by UV-Vis spectroscopy, electrospray ionization mass spectroscopy (ESI-MS) and electrochemical studies. Studies found that optimal synergy was possible only in the ion pairs with no steric interactions of alkyl (or aryl) side chains in the stacking planes (1(O)3•2 & 1(NMe)3•2) and the interaction was found to be comparable with the strongest radical-assisted π-stacking described in the chemical literature.

L’oxydoréduction de monocouches auto-assemblées (SAMs) de ferrocénylalcanethiolates à la surface d’or (FcRSAu) a été étudiée en temps réel par la spectroscopie de résonance de plasmons de surface couplée avec l’électrochimie (E-SPR). La sensibilité de cette technique permet de déterminer des changements d’épaisseur de couche l’ordre de quelques angström résultant d’un changement de structure de la SAM. Plusieurs études antérieures ont proposé que l’oxydation électrochimique d’une SAM de FcRSAu induit une réorientation moléculaire. L’E-SPR est utilisé pour identifier l’origine de ce changement structurel. D’abord, une calibration du réfractomètre SPR utilisé a été effectuée afin de trouver une équation de conversion du signal SPR obtenu en pixel en angle d’incidence pour que l’on puisse calculer le changement d’épaisseur de monocouche à partir du changement d’angle de résonance avec le modèle de Fresnel. Par la suite, une caractérisation approfondie des SAMs de FcCnSAu (où n = 6, 8, 12, 14) en contact avec du NaClO4 acidifié a été réalisée par électrochimie, éllipsométrie, spectroscopie infrarouge et microscopie à force atomique. Les résultats obtenus montrent que l’augmentation de la longueur des chaînes alkyles donne des SAMs de ferrocènes plus épaisses et moins désordonnées. L’analyse par l’E-SPR de ces SAMs pures montre que le changement d’épaisseur induit par l’électro-oxydation dépend linéairement du nombre de méthylènes sur la chaîne alkyle. En appliquant la déconvolution mathématique aux voltampérogrammes cycliques enregistrés pour les SAM mixtes (FcC12SAu/C11SAu) de différentes compositions, on arrive à la conclusion qu’il y a un redressement des chaînes alkyles dans les domaines des ferrocènes agrégés mais la réorientation des têtes de ferrocène dans les domaines de ferrocènes agrégés ou dispersés ne peut pas être exclue. Enfin, l’effet de l’anion électrolytique sur le changement d’épaisseur de la SAM mesuré par l’E-SPR a été étudié. L’analyse électrochimique montre que la capacité de pairage d’anions avec les ferrocéniums décroit comme suit : PF6- > ClO4- > BF4- > NO3-. Tandis que l’épaisseur de la SAM donnée par le changement d’angle de résonance suit la tendance suivante : NO3- ≥ ClO4- > PF6- ≈ BF4-. Des études plus approfondies seront nécessaire pour clarifier cette tendance observée par E-SPR. / The oxidation and reduction of self-assembled ferrocenylalkanethiolate monolayers formed on gold surfaces (FcRSAu) have been followed in real-time by electrochemical surface plasmon resonance (E-SPR) spectroscopy. Film thickness changes on the order of angstroms resulting from SAM structural changes can be detected by SPR. The electrochemically-induced reorientation of the ferrocenylalkanethiolates has been proposed by several spectroelectrochemistry studies. We have used E-SPR to elucidate the nature of the molecular reorientations. The SPR refractometer was first calibrated to find a pixel to angle equation so that Fresnel modeling could be used to calculate SAM thickness changes from the measured resonance angle changes (Δθmin). SAMs of FcCnSAu (where n = 6, 8, 12, 14) were characterized by electrochemistry, infrared spectroscopy and atomic force microscopy. The results obtained show that an increase in the alkyl chain length gives a thicker and less disordered SAM. Oxidation of the surface-bound ferrocenes to ferroceniums and pairing with ClO4- anions produces a similar change in Δθmin for these SAMs, but the variation in the SAM thickness is linearly dependent on the chain length. Mathematical deconvolution of the cyclic voltammograms of binary SAMs (FcC12SAu/C11SAu) of different compositions was used to separate the contributions of the different ferrocene domains (aggregated vs. isolated ferrocenes). We conclude that the aggregated-ferrocenes undergo a change in the orientation of the alkyl chain orientation. We cannot however exclude that the cyclopentadiene rings also reorient themselves. Anion pairing effect was studied by E-SPR. Our electrochemistry results indicate that the ability of the electrolyte anion to pair with the electrogenereted ferrocenium decreases in the following order: PF6- > ClO4- > BF4- > NO3-. On the other hand, the change in Δθmin does not follow the associated trend observed for the anion pairing capacity but rather NO3- ≥ ClO4- > PF6- ≈ BF4-. We hypothesize that the difference in the uptake water molecules by the oxidized SAM may be the reason for this observation. This hypothesis still needs to be verified.

<p>The accurate description of ground and electronic excited states is an important and challenging topic in quantum chemistry. The pairing matrix fluctuation, as a counterpart of the density fluctuation, is applied to this topic. From the pairing matrix fluctuation, the exact electron correlation energy as well as two electron addition/removal energies can be extracted. Therefore, both ground state and excited states energies can be obtained and they are in principle exact with a complete knowledge of the pairing matrix fluctuation. In practice, considering the exact pairing matrix fluctuation is unknown, we adopt its simple approximation --- the particle-particle random phase approximation (pp-RPA) --- for ground and excited states calculations. The algorithms for accelerating the pp-RPA calculation, including spin separation, spin adaptation, as well as an iterative Davidson method, are developed. For ground states correlation descriptions, the results obtained from pp-RPA are usually comparable to and can be more accurate than those from traditional particle-hole random phase approximation (ph-RPA). For excited states, the pp-RPA is able to describe double, Rydberg, and charge transfer excitations, which are challenging for conventional time-dependent density functional theory (TDDFT). Although the pp-RPA intrinsically cannot describe those excitations excited from the orbitals below the highest occupied molecular orbital (HOMO), its performances on those single excitations that can be captured are comparable to TDDFT. The pp-RPA for excitation calculation is further applied to challenging diradical problems and is used to unveil the nature of the ground and electronic excited states of higher acenes. The pp-RPA and the corresponding Tamm-Dancoff approximation (pp-TDA) are also applied to conical intersections, an important concept in nonadiabatic dynamics. Their good description of the double-cone feature of conical intersections is in sharp contrast to the failure of TDDFT. All in all, the pairing matrix fluctuation opens up new channel of thinking for quantum chemistry, and the pp-RPA is a promising method in describing ground and electronic excited states.</p> / Dissertation

Made available in DSpace on 2015-03-05T13:59:42Z (GMT). No. of bitstreams: 0 Previous issue date: 27 / Nenhuma / As escalas de tripulações em companhias aéreas é um fator importante na logística de operações dessas empresas e um problema interessante para a aplicação de Pesquisa operacional. Os custos com tripulantes no transporte aéreo são extremamente altos, superiores a 20% dos custos de operações das empresas. Diante desse contexto, este trabalho vem abordar o problema de rotações de tripulações em empresas aéreas. Uma rotação de tripulação – crew pairings – é uma seqüência de etapas ou segmentos de vôo que começam e terminam em uma base domiciliar de tripulantes. O objetivo deste planejamento é encontrar um subconjunto dessas rotações com custo mínimo e que cubra todas as etapas de vôo na programação da empresa atendendo as restrições inerentes ao problema. O trabalho desenvolveu uma solução para o problema com um modelo set covering/set partitioning, primeiramente, promovendo, uma solução inicial viável que foi aplicada, numa segunda etapa, a um processo de otimização utilizando a meta-heurística Busca Tabu e jan / The flight scheduling crews in airliners are an important factor in logistic of operations of a these companies and interesting problem for the application of Operational Research. The costs with crew members in the air transportation are extremely high, superior 20% of the costs of operations of the companies. So, this study presents an approach of the crew pairing problem in airlines. The objective of this planning is to find a subgroup of these pairings with minimum cost and that it covers all the flight legs in the programming of the airliners taking care of the inherent restrictions to the problem. The solution for the problem implemented a set covering/set partitioning model, first, promoting, a viable initial solution that was applied, in one second stage, to optimize process using the meta-heuristic Tabu Search and time windows. The results had disclosed values satisfactory, demonstrating solutions that, compared with the real solution, had promoted minimization indices superior 70%. The validation

Development of vocalizations in early learners with autism is critical to the acquisition of verbal behavior and other important life skills. The purpose of the present studies was to (1) evaluate the efficiency and efficacy of Stimulus-Stimulus Pairing (SSP) and standard Echoic Training (ET) procedures for the development and onset of verbal behavior in early learners with ASD to improve early intervention efficiency and (2) elucidate predictive characteristics or variables for the effective use of SSP. The present studies were comprised of a multiple-baseline (across behaviors) experimental design buttressed within a reversal design, also known more broadly as within-subject controlled experimental designs. It was found that SSP can have a greater treatment efficacy than ET, but any efficacy advantage is transitory. Shifting an SSP treatment to direct reinforcement contingencies once vocalizations are produced are likely the most effective strategy. SSP produces discrepant effects across learners, thus highlighting the need to assess a learner’s characteristics and assumed reinforcer effectiveness. It was also found that higher-functioning learners will benefit more greatly from ET as opposed to SSP.