There are at least two kinds of similarity. Relational similarity is correspondence between relations, in contrast with attributional similarity, which is correspondence between attributes. When two words have a high degree of attributional similarity, we call them synonyms. When two pairs of words have a high degree of relational similarity, we say that their relations are analogous. For example, the word pair mason:stone is analogous to the pair carpenter:wood. This paper introduces Latent Relational Analysis (LRA), a method for measuring relational similarity. LRA has potential applications in many areas, including information extraction, word sense disambiguation, and information retrieval. Recently the Vector Space Model (VSM) of information retrieval has been adapted to measuring relational similarity, achieving a score of 47 on a collection of 374 college-level multiple-choice word analogy questions. In the VSM approach, the relation between a pair of words is characterized by a vector of frequencies of predefined patterns in a large corpus. LRA extends the VSM approach in three ways: (1) the patterns are derived automatically from the corpus, (2) the Singular Value Decomposition (SVD) is used to smooth the frequency data, and (3) automatically generated synonyms are used to explore variations of the word pairs. LRA achieves 56 on the 374 analogy questions, statistically equivalent to the average human score of 57 . On the related problem of classifying semantic relations, LRA achieves similar gains over the VSM.
For example, there is an analogy between the solar system and Rutherford's model of the atom @cite_54 . The solar system is the source domain and Rutherford's model of the atom is the target domain. The basic objects in the source model are the planets and the sun. The basic objects in the target model are the electrons and the nucleus. The planets and the sun have various attributes, such as mass(sun) and mass(planet), and various relations, such as revolve(planet, sun) and attracts(sun, planet). Likewise, the nucleus and the electrons have attributes, such as charge(electron) and charge(nucleus), and relations, such as revolve(electron, nucleus) and attracts(nucleus, electron). SME maps revolve(planet, sun) to revolve(electron, nucleus) and attracts(sun, planet) to attracts(nucleus, electron).
@cite_54
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We have discovered 16 Type Ia supernovae (SNe Ia) with the Hubble Space Telescope (HST) and have used them to provide the first conclusive evidence for cosmic deceleration that preceded the current epoch of cosmic acceleration. These objects, discovered during the course of the GOODS ACS Treasury program, include 6 of the 7 highest redshift SNe Ia known, all at z > 1.25, and populate the Hubble diagram in unexplored territory. The luminosity distances to these objects and to 170 previously reported SNe Ia have been determined using empirical relations between light-curve shape and luminosity. A purely kinematic interpretation of the SN Ia sample provides evidence at the greater than 99 confidence level for a transition from deceleration to acceleration or, similarly, strong evidence for a cosmic jerk. Using a simple model of the expansion history, the transition between the two epochs is constrained to be at z = 0.46 ± 0.13. The data are consistent with the cosmic concordance model of ΩM ≈ 0.3, ΩΛ ≈ 0.7 (χ = 1.06) and are inconsistent with a simple model of evolution or dust as an alternative to dark energy. For a flat universe with a cosmological constant, we measure ΩM = 0.29 ± (equivalently, ΩΛ = 0.71). When combined with external flat-universe constraints, including the cosmic microwave background and large-scale structure, we find w = -1.02 ± (and w < -0.76 at the 95 confidence level) for an assumed static equation of state of dark energy, P = wρc2. Joint constraints on both the recent equation of state of dark energy, w0, and its time evolution, dw dz, are a factor of 8 more precise than the first estimates and twice as precise as those without the SNe Ia discovered with HST. Our constraints are consistent with the static nature of and value of w expected for a cosmological constant (i.e., w0 = -1.0, dw dz = 0) and are inconsistent with very rapid evolution of dark energy. We address consequences of evolving dark energy for the fate of the universe. A methodology is described to systematically derive coarse-grained (CG) force fields for molecular liquids from the underlying atomistic-scale forces. The coarse graining of an interparticle force field is accomplished by the application of a force-matching method to the trajectories and forces obtained from the atomistic trajectory and force data for the CG sites of the targeted system. The CG sites can be associated with the centers of mass of atomic groups because of the simplicity in the evaluation of forces acting on these sites from the atomistic data. The resulting system is called a multiscale coarse-grained (MS-CG) representation. The MS-CG method for liquids is applied here to water and methanol. For both liquids one-site and two-site CG representations without an explicit treatment of the long-ranged electrostatics have been derived. In addition, for water a two-site model having the explicit long-ranged electrostatics has been developed. To improve the thermodynamic properties (e.g., pressure and density) for the MS-CG models, the constraint for the instantaneous virial was included into the force-match procedure. The performance of the resulting models was evaluated against the underlying atomistic simulations and experiment. In contrast with existing approaches for coarse graining of liquid systems, the MS-CG approach is general, relies only on the interatomic interactions in the reference atomistic system. We describe a complete set of algorithms for ab initio molecular simulations based on numerically tabulated atom-centered orbitals (NAOs) to capture a wide range of molecular and materials properties from quantum-mechanical first principles. The full algorithmic framework described here is embodied in the Fritz Haber Institute “ab initio molecular simulations” (FHI-aims) computer program package. Its comprehensive description should be relevant to any other first-principles implementation based on NAOs. The focus here is on density-functional theory (DFT) in the local and semilocal (generalized gradient) approximations, but an extension to hybrid functionals, Hartree–Fock theory, and MP2 GW electron self-energies for total energies and excited states is possible within the same underlying algorithms. An all-electron full-potential treatment that is both computationally efficient and accurate is achieved for periodic and cluster geometries on equal footing, including relaxation and ab initio molecular dynamics. We demonstrate the construction of transferable, hierarchical basis sets, allowing the calculation to range from qualitative tight-binding like accuracy to meV-level total energy convergence with the basis set. Since all basis functions are strictly localized, the otherwise computationally dominant grid-based operations scale as O(N) with system size N. Together with a scalar-relativistic treatment, the basis sets provide access to all elements from light to heavy. Both low-communication parallelization of all real-space grid based algorithms and a ScaLapack-based, customized handling of the linear algebra for all matrix operations are possible, guaranteeing efficient scaling (CPU time and memory) up to massively parallel computer systems with thousands of CPUs. We review some recently published methods to represent atomic neighbourhood environments, and analyse their relative merits in terms of their faithfulness and suitability for fitting potential energy surfaces. The crucial properties that such representations (sometimes called descriptors) must have are differentiability with respect to moving the atoms, and invariance to the basic symmetries of physics: rotation, reflection, translation, and permutation of atoms of the same species. We demonstrate that certain widely used descriptors that initially look quite different are specific cases of a general approach, in which a finite set of basis functions with increasing angular wave numbers are used to expand the atomic neighbourhood density function. Using the example system of small clusters, we quantitatively show that this expansion needs to be carried to higher and higher wave numbers as the number of neighbours increases in order to obtain a faithful representation, and that variants of the descriptors converge at very different rates. We also propose an altogether new approach, called Smooth Overlap of Atomic Positions (SOAP), that sidesteps these difficulties by directly defining the similarity between any two neighbourhood environments, and show that it is still closely connected to the invariant descriptors. We test the performance of the various representations by fitting models to the potential energy surface of small silicon clusters and the bulk crystal.