Identifying Half-Twists Using Randomized Algorithm Methods

Since the braid group was discovered by E. Artin, the question of its conjugacy problem has been solved by Garside and Birman, Ko and Lee. However, the solutions given thus far are difficult to compute with a computer, since the number of operations needed is extremely large. Meanwhile, random algorithms used to solve difficult problems such as primality of a number were developed, and the random practical methods have become an important tool. We give a random algorithm, along with a conjecture of how to improve its convergence speed, in order to identify elements in the braid group, which are conjugated to its generators for a given power. These elements of the braid group, the half-twists, are important in themselves, as they are the key players in some geometrical and algebraical methods, the building blocks of quasipositive braids and they construct endless sets of generators for the group.Comment: 18 pages, 4 Postscript figures; Last proof read corrections before printing - Paper accepted for publicatio

Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen.

ForceGen is a template-free, non-stochastic approach for 2D to 3D structure generation and conformational elaboration for small molecules, including both non-macrocycles and macrocycles. For conformational search of non-macrocycles, ForceGen is both faster and more accurate than the best of all tested methods on a very large, independently curated benchmark of 2859 PDB ligands. In this study, the primary results are on macrocycles, including results for 431 unique examples from four separate benchmarks. These include complex peptide and peptide-like cases that can form networks of internal hydrogen bonds. By making use of new physical movements ("flips" of near-linear sub-cycles and explicit formation of hydrogen bonds), ForceGen exhibited statistically significantly better performance for overall RMS deviation from experimental coordinates than all other approaches. The algorithmic approach offers natural parallelization across multiple computing-cores. On a modest multi-core workstation, for all but the most complex macrocycles, median wall-clock times were generally under a minute in fast search mode and under 2 min using thorough search. On the most complex cases (roughly cyclic decapeptides and larger) explicit exploration of likely hydrogen bonding networks yielded marked improvements, but with calculation times increasing to several minutes and in some cases to roughly an hour for fast search. In complex cases, utilization of NMR data to constrain conformational search produces accurate conformational ensembles representative of solution state macrocycle behavior. On macrocycles of typical complexity (up to 21 rotatable macrocyclic and exocyclic bonds), design-focused macrocycle optimization can be practically supported by computational chemistry at interactive time-scales, with conformational ensemble accuracy equaling what is seen with non-macrocyclic ligands. For more complex macrocycles, inclusion of sparse biophysical data is a helpful adjunct to computation

Passive Compliance Control of Redundant Serial Manipulators

Current industrial robotic manipulators, and even state of the art robotic manipulators, are slower and less reliable than humans at executing constrained manipulation tasks, tasks where motion is constrained in some direction (e.g., opening a door, turning a crank, polishing a surface, or assembling parts). Many constrained manipulation tasks are still performed by people because robots do not have the manipulation ability to reliably interact with a stiff environment, for which even small commanded position error yields very high contact forces in the constrained directions. Contact forces can be regulated using compliance control, in which the multi-directional elastic behavior (force-displacement relationship) of the end-effector is controlled along with its position. Some state of the art manipulators can directly control the end-effector\u27s elastic behavior using kinematic redundancy (when the robot has more than the necessary number of joints to realize a desired end-effector position) and using variable stiffness actuators (actuators that adjust the physical joint stiffness in real time). Although redundant manipulators with variable stiffness actuators are capable of tracking a time-varying elastic behavior and position of the end-effector, no prior work addresses how to control the robot actuators to do so. This work frames this passive compliance control problem as a redundant inverse kinematics path planning problem extended to include compliance. The problem is to find a joint manipulation path (a continuous sequence of joint positions and joint compliances) to realize a task manipulation path (a continuous sequence of end-effector positions and compliances). This work resolves the joint manipulation path at two levels of quality: 1) instantaneously optimal and 2) globally optimal. An instantaneously optimal path is generated by integrating the optimal joint velocity (according to an instantaneous cost function) that yields the desired task velocity. A globally optimal path is obtained by deforming an instantaneously generated path into one that minimizes a global cost function (integral of the instantaneous cost function). This work shows the existence of multiple local minima of the global cost function and provides an algorithm for finding the global minimum

Numerical computation and avoidance of manipulator singularities

This thesis develops general solutions to two open problems of robot kinematics: the exhaustive computation of the singularity set of a manipulator, and the synthesis of singularity-free paths between given configurations. Obtaining proper solutions to these problems is crucial, because singularities generally pose problems to the normal operation of a robot and, thus, they should be taken into account before the actual construction of a prototype. The ability to compute the whole singularity set also provides rich information on the global motion capabilities of a manipulator. The projections onto the task and joint spaces delimit the working regions in such spaces, may inform on the various assembly modes of the manipulator, and highlight areas where control or dexterity losses can arise, among other anomalous behaviour. These projections also supply a fair view of the feasible movements of the system, but do not reveal all possible singularity-free motions. Automatic motion planners allowing to circumvent problematic singularities should thus be devised to assist the design and programming stages of a manipulator. The key role played by singular configurations has been thoroughly known for several years, but existing methods for singularity computation or avoidance still concentrate on specific classes of manipulators. The absence of methods able to tackle these problems on a sufficiently large class of manipulators is problematic because it hinders the analysis of more complex manipulators or the development of new robot topologies. A main reason for this absence has been the lack of computational tools suitable to the underlying mathematics that such problems conceal. However, recent advances in the field of numerical methods for polynomial system solving now permit to confront these issues with a very general intention in mind. The purpose of this thesis is to take advantage of this progress and to propose general robust methods for the computation and avoidance of singularities on non-redundant manipulators of arbitrary architecture. Overall, the work seeks to contribute to the general understanding on how the motions of complex multibody systems can be predicted, planned, or controlled in an efficient and reliable way.Aquesta tesi desenvolupa solucions generals per dos problemes oberts de la cinemàtica de robots: el càlcul exhaustiu del conjunt singular d'un manipulador, i la síntesi de camins lliures de singularitats entre configuracions donades. Obtenir solucions adequades per aquests problemes és crucial, ja que les singularitats plantegen problemes al funcionament normal del robot i, per tant, haurien de ser completament identificades abans de la construcció d'un prototipus. La habilitat de computar tot el conjunt singular també proporciona informació rica sobre les capacitats globals de moviment d'un manipulador. Les projeccions cap a l'espai de tasques o d'articulacions delimiten les regions de treball en aquests espais, poden informar sobre les diferents maneres de muntar el manipulador, i remarquen les àrees on poden sorgir pèrdues de control o destresa, entre d'altres comportaments anòmals. Aquestes projeccions també proporcionen una imatge fidel dels moviments factibles del sistema, però no revelen tots els possibles moviments lliures de singularitats. Planificadors de moviment automàtics que permetin evitar les singularitats problemàtiques haurien de ser ideats per tal d'assistir les etapes de disseny i programació d'un manipulador. El paper clau que juguen les configuracions singulars ha estat àmpliament conegut durant anys, però els mètodes existents pel càlcul o evitació de singularitats encara es concentren en classes específiques de manipuladors. L'absència de mètodes capaços de tractar aquests problemes en una classe suficientment gran de manipuladors és problemàtica, ja que dificulta l'anàlisi de manipuladors més complexes o el desenvolupament de noves topologies de robots. Una raó principal d'aquesta absència ha estat la manca d'eines computacionals adequades a les matemàtiques subjacents que aquests problemes amaguen. No obstant, avenços recents en el camp de mètodes numèrics per la solució de sistemes polinòmics permeten ara enfrontar-se a aquests temes amb una intenció molt general en ment. El propòsit d'aquesta tesi és aprofitar aquest progrés i proposar mètodes robustos i generals pel càlcul i evitació de singularitats per manipuladors no redundants d'arquitectura arbitrària. En global, el treball busca contribuir a la comprensió general sobre com els moviments de sistemes multicos complexos es poden predir, planificar o controlar d'una manera eficient i segur

Imitating the Shazam App with Wavelets

With the Shazam smartphone app, a listener captures a short excerpt of a recorded song with the smartphone\u27s microphone, and in a matter of moments the app reports the name of the song and the artist. Fourier analysis is a key mathematical tool that powers the app. In this paper, we describe a wavelet-based method that captures the basic process used by the Shazam app to search a database of number sequences (signals) to find those that are similar to a test signal. We will describe our implementation with a different source of signals: continuous glucose monitor data from the management of type-1 diabetes

Incumbency Effects in German and British Elections: A Quasi- Experimental Approach

Following the recent turn towards quasi-experimental approaches in the US literature on the incumbency advantage (Lee, 2001; Lee, forthcoming), we employ a Regression Discontinuity Design (RDD) to identify the causal effects of party incumbency in British and German post-World War II elections. The RDD framework exploits the randomized variation in incumbency status that occurs when a district race is close. Based on the assumption that parties do not exert perfect control over their observed vote shares, incumbents that barely won a race should be similar in their distribution of observed and unobserved confounders to non-incumbents that barely lost. This provides us with a naturally occurring counterfactual exploitable for causal inference under a weaker set of assumptions than conventional regression designs commonly used in the incumbency literature. In both British and German federal elections, we find that party incumbency has a signifcant positive impact on vote shares and the probability of winning in marginal districts, the sub- population of interest for which incumbency advantage is likely to make a difference. This stands in contrast to previous more ambiguous findings.incumbency advantage, quasi-experiment, Germany, Great Britain, elections, causal inference