Failure of Universality in Noncompact Lattice Field Theories

The nonuniversal behavior of two noncompact nonlinear sigma models is described. When these theories are defined on a lattice, the behavior of the order parameter (magnetization) near the critical point is sensitive to the details of the lattice definition. This is counter to experience and to expectations based on the ideas of universality.Comment: 24 pages, REVTeX version 3.0 with 4 embedded figures, provided separately in compressed-uuencoded postscript packed in a self-extracting csh script produced with uufiles. To appear in J. Math. Phys

The Quantized O(1,2)/O(2)×Z2O(1,2)/O(2)\times Z_2 Sigma Model Has No Continuum Limit in Four Dimensions. I. Theoretical Framework

The nonlinear sigma model for which the field takes its values in the coset space $O(1,2)/O(2)\times Z_2$ is similar to quantum gravity in being perturbatively nonrenormalizable and having a noncompact curved configuration space. It is therefore a good model for testing nonperturbative methods that may be useful in quantum gravity, especially methods based on lattice field theory. In this paper we develop the theoretical framework necessary for recognizing and studying a consistent nonperturbative quantum field theory of the $O(1,2)/O(2)\times Z_2$ model. We describe the action, the geometry of the configuration space, the conserved Noether currents, and the current algebra, and we construct a version of the Ward-Slavnov identity that makes it easy to switch from a given field to a nonlinearly related one. Renormalization of the model is defined via the effective action and via current algebra. The two definitions are shown to be equivalent. In a companion paper we develop a lattice formulation of the theory that is particularly well suited to the sigma model, and we report the results of Monte Carlo simulations of this lattice model. These simulations indicate that as the lattice cutoff is removed the theory becomes that of a pair of massless free fields. Because the geometry and symmetries of these fields differ from those of the original model we conclude that a continuum limit of the $O(1,2)/O(2)\times Z_2$ model which preserves these properties does not exist.Comment: 25 pages, no figure

The symmetric-Toeplitz linear system problem in parallel

[EN] Many algorithms exist that exploit the special structure of Toeplitz matrices for solving linear systems. Nevertheless, these algorithms are difficult to parallelize due to its lower computational cost and the great dependency of the operations involved that produces a great communication cost. The foundation of the parallel algorithm presented in this paper consists of transforming the Toeplitz matrix into a another structured matrix called Cauchy¿like. The particular properties of Cauchy¿like matrices are exploited in order to obtain two levels of parallelism that makes possible to highly reduce the execution time. The experimental results were obtained in a cluster of PC¿s.Supported by Spanish MCYT and FEDER under Grant TIC 2003-08238-C02-02Alonso-Jordá, P.; Vidal Maciá, AM. (2005). The symmetric-Toeplitz linear system problem in parallel. Computational Science -- ICCS 2005,Pt 1, Proceedings. 3514:220-228. https://doi.org/10.1007/11428831_28S2202283514Sweet, D.R.: The use of linear-time systolic algorithms for the solution of toeplitz problems. k Technical Report JCU-CS-91/1, Department of Computer Science, James Cook University, Tue, 23 April 1996 15, 17, 55 GMT (1991)Evans, D.J., Oka, G.: Parallel solution of symmetric positive definite Toeplitz systems. Parallel Algorithms and Applications 12, 297–303 (1998)Gohberg, I., Koltracht, I., Averbuch, A., Shoham, B.: Timing analysis of a parallel algorithm for Toeplitz matrices on a MIMD parallel machine. Parallel Computing 17, 563–577 (1991)Gallivan, K., Thirumalai, S., Dooren, P.V.: On solving block toeplitz systems using a block schur algorithm. In: Proceedings of the 23rd International Conference on Parallel Processing, Boca Raton, FL, USA, vol. 3, pp. 274–281. CRC Press, Boca Raton (1994)Thirumalai, S.: High performance algorithms to solve Toeplitz and block Toeplitz systems. Ph.d. th., Grad. College of the U. of Illinois at Urbana–Champaign (1996)Alonso, P., Badía, J.M., Vidal, A.M.: Parallel algorithms for the solution of toeplitz systems of linear equations. In: Wyrzykowski, R., Dongarra, J., Paprzycki, M., Waśniewski, J. (eds.) PPAM 2004. LNCS, vol. 3019, pp. 969–976. Springer, Heidelberg (2004)Anderson, E., et al.: LAPACK Users’ Guide. SIAM, Philadelphia (1995)Blackford, L., et al.: ScaLAPACK Users’ Guide. SIAM, Philadelphia (1997)Alonso, P., Badía, J.M., González, A., Vidal, A.M.: Parallel design of multichannel inverse filters for audio reproduction. In: Parallel and Distributed Computing and Systems, IASTED, Marina del Rey, CA, USA, vol. II, pp. 719–724 (2003)Loan, C.V.: Computational Frameworks for the Fast Fourier Transform. SIAM Press, Philadelphia (1992)Heinig, G.: Inversion of generalized Cauchy matrices and other classes of structured matrices. Linear Algebra and Signal Proc., IMA, Math. Appl. 69, 95–114 (1994)Gohberg, I., Kailath, T., Olshevsky, V.: Fast Gaussian elimination with partial pivoting for matrices with displacement structure. Mathematics of Computation 64, 1557–1576 (1995)Alonso, P., Vidal, A.M.: An efficient and stable parallel solution for symmetric toeplitz linear systems. TR DSIC-II/2005, DSIC–Univ. Polit. Valencia (2005)Kailath, T., Sayed, A.H.: Displacement structure: Theory and applications. SIAM Review 37, 297–386 (1995

The Quantized O(1,2)/O(2)×Z2O(1,2)/O(2)\times Z_2 Sigma Model Has No Continuum Limit in Four Dimensions. II. Lattice Simulation

A lattice formulation of the $O(1,2)/O(2)\times Z_2$ sigma model is developed, based on the continuum theory presented in the preceding paper. Special attention is given to choosing a lattice action (the ``geodesic'' action) that is appropriate for fields having noncompact curved configuration spaces. A consistent continuum limit of the model exists only if the renormalized scale constant $\beta_R$ vanishes for some value of the bare scale constant~$\beta$. The geodesic action has a special form that allows direct access to the small-$\beta$ limit. In this limit half of the degrees of freedom can be integrated out exactly. The remaining degrees of freedom are those of a compact model having a $\beta$-independent action which is noteworthy in being unbounded from below yet yielding integrable averages. Both the exact action and the $\beta$-independent action are used to obtain $\beta_R$ from Monte Carlo computations of field-field averages (2-point functions) and current-current averages. Many consistency cross-checks are performed. It is found that there is no value of $\beta$ for which $\beta_R$ vanishes. This means that as the lattice cutoff is removed the theory becomes that of a pair of massless free fields. Because these fields have neither the geometry nor the symmetries of the original model we conclude that the $O(1,2)/O(2)\times Z_2$ model has no continuum limit.Comment: 32 pages, 7 postscript figures, UTREL 92-0

Variational Analysis Down Under Open Problem Session

© 2018, Springer Science+Business Media, LLC, part of Springer Nature. We state the problems discussed in the open problem session at Variational Analysis Down Under conference held in honour of Prof. Asen Dontchev on 19–21 February 2018 at Federation University Australia

Characterizing Protein-Protein Interactions with the Fragment Molecular Orbital Method

Proteins are vital components of living systems, serving as building blocks, molecular machines, enzymes, receptors, ion channels, sensors, and transporters. Protein-protein interactions (PPIs) are a key part of their function. There are more than 645,000 reported disease-relevant PPIs in the human interactome, but drugs have been developed for only 2% of these targets. The advances in PPI-focused drug discovery are highly dependent on the availability of structural data and accurate computational tools for analysis of this data. Quantum mechanical approaches are often too expensive computationally, but the fragment molecular orbital (FMO) method offers an excellent solution that combines accuracy, speed and the ability to reveal key interactions that would otherwise be hard to detect. FMO provides essential information for PPI drug discovery, namely, identification of key interactions formed between residues of two proteins, including their strength (in kcal/mol) and their chemical nature (electrostatic or hydrophobic). In this chapter, we have demonstrated how three different FMO-based approaches (pair interaction energy analysis (PIE analysis), subsystem analysis (SA) and analysis of protein residue networks (PRNs)) have been applied to study PPI in three protein-protein complexes

Technology Adoption by Elderly People – An Empirical Analysis of Adopters and Non-Adopters of Social Networking Sites

This research paper analyzes the impact of attitudinal, control and normative beliefs on the intention to use social network sites (SNS) by people older than 50. Using the Model of Adoption of Technology in Households (MATH) and the data of 115 social network site adopters and 53 non-adopters it can be shown that the intention of adopters and non-adopters has been influenced by different reasons. Perceived Ease of Use and Normative Beliefs have only a significant impact for adopters. Moreover, this research paper unfolds Fear of Technology as a strong influence factor for non-adopters in regard not to use SNS in their daily routine. The paper concludes with a discussion of an age-sensitive design of SNS in order to address the digital divide

Molecular Dynamics of Mesophilic-Like Mutants of a Cold-Adapted Enzyme: Insights into Distal Effects Induced by the Mutations

Networks and clusters of intramolecular interactions, as well as their “communication” across the three-dimensional architecture have a prominent role in determining protein stability and function. Special attention has been dedicated to their role in thermal adaptation. In the present contribution, seven previously experimentally characterized mutants of a cold-adapted α-amylase, featuring mesophilic-like behavior, have been investigated by multiple molecular dynamics simulations, essential dynamics and analyses of correlated motions and electrostatic interactions. Our data elucidate the molecular mechanisms underlying the ability of single and multiple mutations to globally modulate dynamic properties of the cold-adapted α-amylase, including both local and complex unpredictable distal effects. Our investigation also shows, in agreement with the experimental data, that the conversion of the cold-adapted enzyme in a warm-adapted variant cannot be completely achieved by the introduction of few mutations, also providing the rationale behind these effects. Moreover, pivotal residues, which are likely to mediate the effects induced by the mutations, have been identified from our analyses, as well as a group of suitable candidates for protein engineering. In fact, a subset of residues here identified (as an isoleucine, or networks of mesophilic-like salt bridges in the proximity of the catalytic site) should be considered, in experimental studies, to get a more efficient modification of the features of the cold-adapted enzyme