Complexity Analysis of Balloon Drawing for Rooted Trees

In a balloon drawing of a tree, all the children under the same parent are placed on the circumference of the circle centered at their parent, and the radius of the circle centered at each node along any path from the root reflects the number of descendants associated with the node. Among various styles of tree drawings reported in the literature, the balloon drawing enjoys a desirable feature of displaying tree structures in a rather balanced fashion. For each internal node in a balloon drawing, the ray from the node to each of its children divides the wedge accommodating the subtree rooted at the child into two sub-wedges. Depending on whether the two sub-wedge angles are required to be identical or not, a balloon drawing can further be divided into two types: even sub-wedge and uneven sub-wedge types. In the most general case, for any internal node in the tree there are two dimensions of freedom that affect the quality of a balloon drawing: (1) altering the order in which the children of the node appear in the drawing, and (2) for the subtree rooted at each child of the node, flipping the two sub-wedges of the subtree. In this paper, we give a comprehensive complexity analysis for optimizing balloon drawings of rooted trees with respect to angular resolution, aspect ratio and standard deviation of angles under various drawing cases depending on whether the tree is of even or uneven sub-wedge type and whether (1) and (2) above are allowed. It turns out that some are NP-complete while others can be solved in polynomial time. We also derive approximation algorithms for those that are intractable in general

Simultaneous Embeddings with Few Bends and Crossings

A simultaneous embedding with fixed edges (SEFE) of two planar graphs $R$ and $B$ is a pair of plane drawings of $R$ and $B$ that coincide when restricted to the common vertices and edges of $R$ and $B$. We show that whenever $R$ and $B$ admit a SEFE, they also admit a SEFE in which every edge is a polygonal curve with few bends and every pair of edges has few crossings. Specifically: (1) if $R$ and $B$ are trees then one bend per edge and four crossings per edge pair suffice (and one bend per edge is sometimes necessary), (2) if $R$ is a planar graph and $B$ is a tree then six bends per edge and eight crossings per edge pair suffice, and (3) if $R$ and $B$ are planar graphs then six bends per edge and sixteen crossings per edge pair suffice. Our results improve on a paper by Grilli et al. (GD'14), which proves that nine bends per edge suffice, and on a paper by Chan et al. (GD'14), which proves that twenty-four crossings per edge pair suffice.Comment: Full version of the paper "Simultaneous Embeddings with Few Bends and Crossings" accepted at GD '1

Polyhedra of small order and their Hamiltonian properties

We describe the results of an enumeration of several classes of polyhedra. The enumerated classes include polyhedra with up to 12 vertices and up to 26 edges, simplical polyhedra with up to 16 vertices, 4-connected polyhedra with up to 15 vertices, and bipartite polyhedra with up to 22 vertices.The results of the enumeration were used to systematically search for certain minimal non-Hamiltonian polyhedra. In particular, the smallest polyhedra satisfying certain toughness-like properties are presented here, as are the smallest non-Hamiltonian, 3-connected, Delaunay tessellations and triangulations. Improved upper and lower bounds on the size of the smallest non-Hamiltonian, inscribable polyhedra are also given

Semiclassical Quantisation of Finite-Gap Strings

We perform a first principle semiclassical quantisation of the general finite-gap solution to the equations of a string moving on R x S^3. The derivation is only formal as we do not regularise divergent sums over stability angles. Moreover, with regards to the AdS/CFT correspondence the result is incomplete as the fluctuations orthogonal to this subspace in AdS_5 x S^5 are not taken into account. Nevertheless, the calculation serves the purpose of understanding how the moduli of the algebraic curve gets quantised semiclassically, purely from the point of view of finite-gap integration and with no input from the gauge theory side. Our result is expressed in a very compact and simple formula which encodes the infinite sum over stability angles in a succinct way and reproduces exactly what one expects from knowledge of the dual gauge theory. Namely, at tree level the filling fractions of the algebraic curve get quantised in large integer multiples of hbar = 1/lambda^{1/2}. At 1-loop order the filling fractions receive Maslov index corrections of hbar/2 and all the singular points of the spectral curve become filled with small half-integer multiples of hbar. For the subsector in question this is in agreement with the previously obtained results for the semiclassical energy spectrum of the string using the method proposed in hep-th/0703191. Along the way we derive the complete hierarchy of commuting flows for the string in the R x S^3 subsector. Moreover, we also derive a very general and simple formula for the stability angles around a generic finite-gap solution. We also stress the issue of quantum operator orderings since this problem already crops up at 1-loop in the form of the subprincipal symbol.Comment: 53 pages, 22 figures; some significant typos corrected, references adde

Understanding molecular representations in machine learning: The role of uniqueness and target similarity

The predictive accuracy of Machine Learning (ML) models of molecular properties depends on the choice of the molecular representation. Based on the postulates of quantum mechanics, we introduce a hierarchy of representations which meet uniqueness and target similarity criteria. To systematically control target similarity, we rely on interatomic many body expansions, as implemented in universal force-fields, including Bonding, Angular, and higher order terms (BA). Addition of higher order contributions systematically increases similarity to the true potential energy and predictive accuracy of the resulting ML models. We report numerical evidence for the performance of BAML models trained on molecular properties pre-calculated at electron-correlated and density functional theory level of theory for thousands of small organic molecules. Properties studied include enthalpies and free energies of atomization, heatcapacity, zero-point vibrational energies, dipole-moment, polarizability, HOMO/LUMO energies and gap, ionization potential, electron affinity, and electronic excitations. After training, BAML predicts energies or electronic properties of out-of-sample molecules with unprecedented accuracy and speed

3nj Morphogenesis and Semiclassical Disentangling

Recoupling coefficients (3nj symbols) are unitary transformations between binary coupled eigenstates of N=(n+1) mutually commuting SU(2) angular momentum operators. They have been used in a variety of applications in spectroscopy, quantum chemistry and nuclear physics and quite recently also in quantum gravity and quantum computing. These coefficients, naturally associated to cubic Yutsis graphs, share a number of intriguing combinatorial, algebraic, and analytical features that make them fashinating objects to be studied on their own. In this paper we develop a bottom--up, systematic procedure for the generation of 3nj from 3(n-1)j diagrams by resorting to diagrammatical and algebraic methods. We provide also a novel approach to the problem of classifying various regimes of semiclassical expansions of 3nj coefficients (asymptotic disentangling of 3nj diagrams) for n > 2 by means of combinatorial, analytical and numerical tools

Dynamics of Black Hole Pairs I: Periodic Tables

Although the orbits of comparable mass, spinning black holes seem to defy simple decoding, we find a means to decipher all such orbits. The dynamics is complicated by extreme perihelion precession compounded by spin-induced precession. We are able to quantitatively define and describe the fully three dimensional motion of comparable mass binaries with one black hole spinning and expose an underlying simplicity. To do so, we untangle the dynamics by capturing the motion in the orbital plane. Our results are twofold: (1) We derive highly simplified equations of motion in a non-orthogonal orbital basis, and (2) we define a complete taxonomy for fully three-dimensional orbits. More than just a naming system, the taxonomy provides unambiguous and quantitative descriptions of the orbits, including a determination of the zoom-whirliness of any given orbit. Through a correspondence with the rationals, we are able to show that zoom-whirl behavior is prevalent in comparable mass binaries in the strong-field regime. A first significant conclusion that can be drawn from this analysis is that all generic orbits in the final stages of inspiral under gravitational radiation losses are characterized by precessing clovers with few leaves and that no orbit will behave like the tightly precessing ellipse of Mercury. The gravitational waveform produced by these low-leaf clovers will reflect the natural harmonics of the orbital basis -- harmonics that, importantly, depend only on radius. The significance for gravitational wave astronomy will depend on the number of windings the pair executes in the strong-field regime and could be more conspicuous for intermediate mass pairs than for stellar mass pairs.Comment: 19 pages, lots of figure