Angle Tree: Nearest Neighbor Search in High Dimensions with Low Intrinsic Dimensionality

We propose an extension of tree-based space-partitioning indexing structures for data with low intrinsic dimensionality embedded in a high dimensional space. We call this extension an Angle Tree. Our extension can be applied to both classical kd-trees as well as the more recent rp-trees. The key idea of our approach is to store the angle (the "dihedral angle") between the data region (which is a low dimensional manifold) and the random hyperplane that splits the region (the "splitter"). We show that the dihedral angle can be used to obtain a tight lower bound on the distance between the query point and any point on the opposite side of the splitter. This in turn can be used to efficiently prune the search space. We introduce a novel randomized strategy to efficiently calculate the dihedral angle with a high degree of accuracy. Experiments and analysis on real and synthetic data sets shows that the Angle Tree is the most efficient known indexing structure for nearest neighbor queries in terms of preprocessing and space usage while achieving high accuracy and fast search time.Comment: To be submitted to IEEE Transactions on Pattern Analysis and Machine Intelligenc

Magnetism of CuX2 frustrated chains (X = F, Cl, Br): the role of covalency

Periodic and cluster density-functional theory (DFT) calculations, including DFT+U and hybrid functionals, are applied to study magnetostructural correlations in spin-1/2 frustrated chain compounds CuX2: CuCl2, CuBr2, and a fictitious chain structure of CuF2. The nearest-neighbor and second-neighbor exchange integrals, J1 and J2, are evaluated as a function of the Cu-X-Cu bridging angle, theta, in the physically relevant range 80-110deg. In the ionic CuF2, J1 is ferromagnetic for theta smaller 100deg. For larger angles, the antiferromagnetic superexchange contribution becomes dominant, in accord with the Goodenough-Kanamori-Anderson rules. However, both CuCl2 and CuBr2 feature ferromagnetic J1 in the whole angular range studied. This surprising behavior is ascribed to the increased covalency in the Cl and Br compounds, which amplifies the contribution from Hund's exchange on the ligand atoms and renders J1 ferromagnetic. At the same time, the larger spatial extent of X orbitals enhances the antiferromagnetic J2, which is realized via the long-range Cu-X-X-Cu paths. Both, periodic and cluster approaches supply a consistent description of the magnetic behavior which is in good agreement with the experimental data for CuCl2 and CuBr2. Thus, owing to their simplicity, cluster calculations have excellent potential to study magnetic correlations in more involved spin lattices and facilitate application of quantum-chemical methods

A 3D radiative transfer framework: I. non-local operator splitting and continuum scattering problems

We describe a highly flexible framework to solve 3D radiation transfer problems in scattering dominated environments based on a long characteristics piece-wise parabolic formal solution and an operator splitting method. We find that the linear systems are efficiently solved with iterative solvers such as Gauss-Seidel and Jordan techniques. We use a sphere-in-a-box test model to compare the 3D results to 1D solutions in order to assess the accuracy of the method. We have implemented the method for static media, however, it can be used to solve problems in the Eulerian-frame for media with low velocity fields.Comment: A&A, in press. 14 pages, 19 figures. Full resolution figures available at ftp://phoenix.hs.uni-hamburg.de/preprints/3DRT_paper1.pdf HTML version (low res figures) at http://hobbes.hs.uni-hamburg.de/~yeti/PAPERS/3drt_paper1/index.htm

Exact one- and two-particle excitation spectra of acute-angle helimagnets above their saturation magnetic field

The two-magnon problem for the frustrated XXZ spin-1/2 Heisenberg Hamiltonian and external magnetic fields exceeding the saturation field Bs is considered. We show that the problem can be exactly mapped onto an effective tight-binding impurity problem. It allows to obtain explicit exact expressions for the two-magnon Green's functions for arbitrary dimension and number of interactions. We apply this theory to a quasi-one dimensional helimagnet with ferromagnetic nearest neighbor J1 < 0 and antiferromagnetic next-nearest neighbor J2 > 0 interactions. An outstanding feature of the excitation spectrum is the existence of two-magnon bound states. This leads to deviations of the saturation field Bs from its classical value Bs(classical) which coincides with the one-magnon instability. For the refined frustration ratio |J2/J1|> 0.374661 the minimum of the two-magnon spectrum occurs at the boundary of the Brillouin zone. Based on the two-magnon approach, we propose general analytic expressions for the saturation field Bs, confirming known previous results for one-dimensional isotropic systems, but explore also the role of interchain and long-ranged intrachain interactions as well as of the exchange anisotropy.Comment: 21 pages, 6 Figures. submitted to Phys. Rev.

Magnetic and superconducting instabilities of the Hubbard model at the van Hove filling

We use a novel temperature-flow renormalization group technique to analyze magnetic and superconducting instabilities in the two-dimensional t-t' Hubbard model for particle densities close to the van Hove filling as a function of the next-nearest neighbor hopping t'. In the one-loop flow at the van Hove filling, the characteristic temperature for the flow to strong coupling is suppressed drastically around t'_c approx. -0.33t, suggesting a quantum critical point between d-wave pairing at moderate t'>t'_c and ferromagnetism for t'<t'_c. Upon increasing the particle density in the latter regime the leading instability occurs in the triplet pairing channel.Comment: 4 pages, to appear in Physical Review Letter

Correlation induced electron-hole asymmetry in quasi-2D iridates

We determine the motion of a charge (hole or electron) added to the Mott insulating, antiferromagnetic (AF) ground-state of quasi-2D iridates such as Ba 2 IrO 4 or Sr 2 IrO 4 . We show that correlation effects, calculated within the self-consistent Born approximation, render the hole and electron case very different. An added electron forms a spin-polaron, which closely resembles the well-known cuprates, but the situation of a removed electron is far more complex. Many-body 5d 4 configurations form which can be singlet and triplets of total angular momentum J and strongly affect the hole motion between AF sublattices. This not only has important ramifications for the interpretation of (inverse-)photoemission experiments of quasi-2D iridates but also demonstrates that the correlation physics in electron- and hole-doped iridates is fundamentally different.Comment: 11 pages main text, 11 pages supplementary, 10 figure

Maximum Inner-Product Search using Tree Data-structures

The problem of {\em efficiently} finding the best match for a query in a given set with respect to the Euclidean distance or the cosine similarity has been extensively studied in literature. However, a closely related problem of efficiently finding the best match with respect to the inner product has never been explored in the general setting to the best of our knowledge. In this paper we consider this general problem and contrast it with the existing best-match algorithms. First, we propose a general branch-and-bound algorithm using a tree data structure. Subsequently, we present a dual-tree algorithm for the case where there are multiple queries. Finally we present a new data structure for increasing the efficiency of the dual-tree algorithm. These branch-and-bound algorithms involve novel bounds suited for the purpose of best-matching with inner products. We evaluate our proposed algorithms on a variety of data sets from various applications, and exhibit up to five orders of magnitude improvement in query time over the naive search technique.Comment: Under submission in KDD 201

Space Exploration via Proximity Search

We investigate what computational tasks can be performed on a point set in $\Re^d$, if we are only given black-box access to it via nearest-neighbor search. This is a reasonable assumption if the underlying point set is either provided implicitly, or it is stored in a data structure that can answer such queries. In particular, we show the following: (A) One can compute an approximate bi-criteria $k$-center clustering of the point set, and more generally compute a greedy permutation of the point set. (B) One can decide if a query point is (approximately) inside the convex-hull of the point set. We also investigate the problem of clustering the given point set, such that meaningful proximity queries can be carried out on the centers of the clusters, instead of the whole point set