Simultaneous Coherent Structure Coloring facilitates interpretable clustering of scientific data by amplifying dissimilarity

The clustering of data into physically meaningful subsets often requires assumptions regarding the number, size, or shape of the subgroups. Here, we present a new method, simultaneous coherent structure coloring (sCSC), which accomplishes the task of unsupervised clustering without a priori guidance regarding the underlying structure of the data. sCSC performs a sequence of binary splittings on the dataset such that the most dissimilar data points are required to be in separate clusters. To achieve this, we obtain a set of orthogonal coordinates along which dissimilarity in the dataset is maximized from a generalized eigenvalue problem based on the pairwise dissimilarity between the data points to be clustered. This sequence of bifurcations produces a binary tree representation of the system, from which the number of clusters in the data and their interrelationships naturally emerge. To illustrate the effectiveness of the method in the absence of a priori assumptions, we apply it to three exemplary problems in fluid dynamics. Then, we illustrate its capacity for interpretability using a high-dimensional protein folding simulation dataset. While we restrict our examples to dynamical physical systems in this work, we anticipate straightforward translation to other fields where existing analysis tools require ad hoc assumptions on the data structure, lack the interpretability of the present method, or in which the underlying processes are less accessible, such as genomics and neuroscience

Submanifolds with parallel second fundamental form studied via the Gauß map

For an arbitrary n-dimensional riemannian manifold N and an integer m between 1 and n-1 a covariant derivative on the Graßmann bundle G_m(TN) is introduced which has the property that an m-dimensional submanifold M of N has parallel second fundamental form if and only if its Gauß map (defined on M with values in G_m(TN)) is affine. (For the case that N is the euclidian space this result was already obtained by J.Vilms in 1972.) By means of this relation a generalization of E. Cartan's theorem on the total geodesy of a geodesic umbrella can be derived: Suppose, initial data (p,W,b) prescribing an m-dimensional tangent space W and a second fundamental form b at p in N are given; for these data we construct an m-dimensional ``umbrella'' M=M(p,W,b) in N, the rays of which are helical arcs of N; moreover we present tensorial conditions (not involving the covariant derivative on G_m(TN)) which guarantee that the umbrella M has parallel second fundamental form. These conditions are as well necessary, and locally every submanifold with parallel second fundamental form can be obtained in this way

Kitaev interactions between j=1/2 moments in honeycomb Na2IrO3 are large and ferromagnetic: insights from ab initio quantum chemistry calculations

Na$_2$IrO$_3$, a honeycomb 5$d^5$ oxide, has been recently identified as a potential realization of the Kitaev spin lattice. The basic feature of this spin model is that for each of the three metal-metal links emerging out of a metal site, the Kitaev interaction connects only spin components perpendicular to the plaquette defined by the magnetic ions and two bridging ligands. The fact that reciprocally orthogonal spin components are coupled along the three different links leads to strong frustration effects and nontrivial physics. While the experiments indicate zigzag antiferromagnetic order in Na$_2$IrO$_3$, the signs and relative strengths of the Kitaev and Heisenberg interactions are still under debate. Herein we report results of ab initio many-body electronic structure calculations and establish that the nearest-neighbor exchange is strongly anisotropic with a dominant ferromagnetic Kitaev part, whereas the Heisenberg contribution is significantly weaker and antiferromagnetic. The calculations further reveal a strong sensitivity to tiny structural details such as the bond angles. In addition to the large spin-orbit interactions, this strong dependence on distortions of the Ir$_2$O$_2$ plaquettes singles out the honeycomb 5$d^5$ oxides as a new playground for the realization of unconventional magnetic ground states and excitations in extended systems.Comment: 13 pages, 2 tables, 3 figures, accepted in NJ

Emission coordinates for the navigation in space

A general approach to the problem of positioning by means of pulsars or other pulsating sources located at infinity is described. The counting of the pulses for a set of different sources whose positions in the sky and periods are assumed to be known, is used to provide null emission, or light, coordinates for the receiver. The measurement of the proper time intervals between successive arrivals of the signals from the various sources is used to give the final localization of the receiver, within an accuracy controlled by the precision of the onboard clock. The deviation from the flat case is discussed, separately considering the different possible causes: local gravitational potential, finiteness of the distance of the source, proper motion of the source, period decay, proper acceleration due to non-gravitational forces. Calculations turn out to be simple and the result is highly positive. The method can also be applied to a constellation of satellites orbiting the Earth.Comment: 13 pages, 1 figure, appearing on the Proceedings of the 60th International Astronautical Conference IAC 2009, October 12-16, Daejeong, Kore

Quantum clocks observe classical and quantum time dilation

At the intersection of quantum theory and relativity lies the possibility of a clock experiencing a superposition of proper times. We consider quantum clocks constructed from the internal degrees of relativistic particles that move through curved spacetime. The probability that one clock reads a given proper time conditioned on another clock reading a different proper time is derived. From this conditional probability distribution, it is shown that when the center-of-mass of these clocks move in localized momentum wave packets they observe classical time dilation. We then illustrate a quantum correction to the time dilation observed by a clock moving in a superposition of localized momentum wave packets that has the potential to be observed in experiment. The Helstrom-Holevo lower bound is used to derive a proper time-energy/mass uncertainty relation.Comment: Updated to match published versio