AReS and MaRS - Adversarial and MMD-Minimizing Regression for SDEs

Stochastic differential equations are an important modeling class in many disciplines. Consequently, there exist many methods relying on various discretization and numerical integration schemes. In this paper, we propose a novel, probabilistic model for estimating the drift and diffusion given noisy observations of the underlying stochastic system. Using state-of-the-art adversarial and moment matching inference techniques, we avoid the discretization schemes of classical approaches. This leads to significant improvements in parameter accuracy and robustness given random initial guesses. On four established benchmark systems, we compare the performance of our algorithms to state-of-the-art solutions based on extended Kalman filtering and Gaussian processes.Comment: Published at the Thirty-sixth International Conference on Machine Learning (ICML 2019

Many-spin effects in inelastic neutron scattering and electron paramagnetic resonance of molecular nanomagnets

Many molecular magnetic clusters, such as single-molecule magnets, are characterized by spin ground states with defined total spin S exhibiting zero-field-splittings. In this work, the spectroscopic intensities of the transitions within the ground-state multiplet are analyzed. In particular, the effects of a mixing with higher-lying spin multiplets, which is produced by anisotropic interactions and is neglected in the standard single-spin description, are investigated systematically for the two experimental techniques of inelastic neutron scattering (INS) and electron paramagnetic resonance (EPR), with emphasis on the former technique. The spectroscopic transition intensities are calculated analytically by constructing corresponding effective spin operators perturbationally up to second order and consequently using irreducible tensor operator techniques. Three main effects of spin mixing are observed. Firstly, a pronounced dependence of the INS intensities on the momentum transfer Q, with a typical oscillatory behavior, emerges in first order, signaling the many-spin nature of the wave functions in exchange-coupled clusters. Secondly, as compared to the results of a first-order calculation, the intensities of the transitions within the spin multiplet are affected differently by spin mixing. This allows one, thirdly, to differentiate the higher-order contributions to the cluster magnetic anisotropy which come from the single-ion ligand-field terms and spin mixing, respectively. The analytical results are illustrated by means of the three examples of an antiferromagnetic heteronuclear dimer, the Mn-[3 x 3] grid molecule, and the single-molecule magnet Mn12.Comment: 18 pages, 3 figures, REVTEX4, to appear in PR

The Pure State Space of Quantum Mechanics as Hermitian Symmetric Space

The pure state space of Quantum Mechanics is investigated as Hermitian Symmetric Kaehler manifold. The classical principles of Quantum Mechanics (Quantum Superposition Principle, Heisenberg Uncertainty Principle, Quantum Probability Principle) and Spectral Theory of observables are discussed in this non linear geometrical context.Comment: 18 pages, no figure

On Differential Structure for Projective Limits of Manifolds

We investigate the differential calculus defined by Ashtekar and Lewandowski on projective limits of manifolds by means of cylindrical smooth functions and compare it with the C^infty calculus proposed by Froehlicher and Kriegl in more general context. For products of connected manifolds, a Boman theorem is proved, showing the equivalence of the two calculi in this particular case. Several examples of projective limits of manifolds are discussed, arising in String Theory and in loop quantization of Gauge Theories.Comment: 38 pages, Latex 2e, to be published on J. Geom. Phys minor misprints corrected, reference adde

Spin dynamics in molecular ring nanomagnets: Significant effect of acoustic phonons and magnetic anisotropies

The nuclear spin-lattice relaxation rate 1/T_1_ is calculated for magnetic ring clusters by fully diagonalizing their microscopic spin Hamiltonians. Whether the nearest-neighbor exchange interaction J is ferromagnetic or antiferromagnetic, 1/T_1_ versus temperature T in ring nanomagnets may be peaked at around k_B_T=|J| provided the lifetime broadening of discrete energy levels is in proportion to T^3^. Experimental findings for ferromagnetic and antiferromagnetic Cu^II^ rings are reproduced with crucial contributions of magnetic anisotropies as well as acoustic phonons.Comment: 5 pages with 5 figures embedded, to be published in J. Phys. Soc. Jpn. 75, No. 10 (2006

Rotational modes in molecular magnets with antiferromagnetic Heisenberg exchange

In an effort to understand the low temperature behavior of recently synthesized molecular magnets we present numerical evidence for the existence of a rotational band in systems of quantum spins interacting with nearest-neighbor antiferromagnetic Heisenberg exchange. While this result has previously been noted for ring arrays with an even number of spin sites, we find that it also applies for rings with an odd number of sites as well as for all of the polytope configurations we have investigated (tetrahedron, cube, octahedron, icosahedron, triangular prism, and axially truncated icosahedron). It is demonstrated how the rotational band levels can in many cases be accurately predicted using the underlying sublattice structure of the spin array. We illustrate how the characteristics of the rotational band can provide valuable estimates for the low temperature magnetic susceptibility.Comment: 14 pages, 7 figures, to be published in Phys. Rev.

The Geometric Phase and Ray Space Isometries

We study the behaviour of the geometric phase under isometries of the ray space. This leads to a better understanding of a theorem first proved by Wigner: isometries of the ray space can always be realised as projections of unitary or anti-unitary transformations on the Hilbert space. We suggest that the construction involved in Wigner's proof is best viewed as an use of the Pancharatnam connection to ``lift'' a ray space isometry to the Hilbert space.Comment: 17 pages, Latex file, no figures, To appear in Pramana J. Phy

Model Exact Low-Lying States and Spin Dynamics in Ferric Wheels; Fe6_6 to Fe12_{12}

Using an efficient numerical scheme that exploits spatial symmetries and spin-parity, we have obtained the exact low-lying eigenstates of exchange Hamiltonians for ferric wheels up to Fe$_{12}$. The largest calculation involves the Fe$_{12}$ ring which spans a Hilbert space dimension of about 145 million for M$_s$=0 subspace. Our calculated gaps from the singlet ground state to the excited triplet state agrees well with the experimentally measured values. Study of the static structure factor shows that the ground state is spontaneously dimerized for ferric wheels. Spin states of ferric wheels can be viewed as quantized states of a rigid rotor with the gap between the ground and the first excited state defining the inverse of moment of inertia. We have studied the quantum dynamics of Fe$_{10}$ as a representative of ferric wheels. We use the low-lying states of Fe$_{10}$ to solve exactly the time-dependent Schr\"odinger equation and find the magnetization of the molecule in the presence of an alternating magnetic field at zero temperature. We observe a nontrivial oscillation of magnetization which is dependent on the amplitude of the {\it ac} field. We have also studied the torque response of Fe$_{12}$ as a function of magnetic field, which clearly shows spin-state crossover.Comment: Revtex, 24 pages, 8 eps figure

Geometrization of Quantum Mechanics

We show that it is possible to represent various descriptions of Quantum Mechanics in geometrical terms. In particular we start with the space of observables and use the momentum map associated with the unitary group to provide an unified geometrical description for the different pictures of Quantum Mechanics. This construction provides an alternative to the usual GNS construction for pure states.Comment: 16 pages. To appear in Theor. Math. Phys. Some typos corrected. Definition 2 in page 5 rewritte

Metatags, Keywords, and Links: Recent Developments Addressing Trademark Threats in Cyberspace

This Article addresses the trademark issues that stem from current developments in technology and capabilities specific to the Internet, and discusses how trademark law has evolved in order to provide remedies to trademark holders for unauthorized uses of their trademarks in ways that are likely to cause consumer confusion or allow for unfair competition. The authors begin by examining the current state of technology with respect to metatags, keywords, and links, the current trademark issues that stem from their use, and the recent judicial developments with respect to each type of technology. Based on this examination, the authors argue that the courts are willing to alter trademark law and unfair competition principles to protect against unauthorized uses that do not fit the traditional concepts of trademark infringement. The authors conclude that trademarks, as a form of intellectual property, should be protected when used on the Internet