1,721,132 research outputs found
On A Relationship Between Graph Realizability And Distance Matrix Completion
No full textWe consider a certain subclass of Henneberg-type edge-weighted graphs which is related to protein structure, and discuss an algorithmic relationship between the Distance Geometry Problem and the Euclidean Distance Matrix Completion Problem.313948Blumenthal, L., (1953) Theory and Applications of Distance Geometry, , Oxford University Press, OxfordCremona, L., (1872) Le Figure Reciproche Nella Statica Grafica, , G. Bernardoni, MilanoDong, Q., Wu, Z., A linear-time algorithm for solving the molecular distance geometry problem with exact inter-atomic distances (2002) J. Global Optim, 22, pp. 365-375Gunther, H., (1995) NMR Spectroscopy: Basic Principles, Concepts, and Applications In Chemistry, , Wiley, New YorkHendrickson, B., Conditions for unique graph realizations (1992) SIAM J. Comput, 21 (1), pp. 65-84Henneberg, L., (1911) Die Graphische Statik Der Starren Systeme, , Teubner, LeipzigJohn, A.L.S., (2008) Geometric Constraint Systems With Applications In Cad and Biology, , Ph.D. thesis, University of Massachusetts at AmherstLaurent, M., Matrix completion problems (2009) Encyclopedia of Optimization, pp. 1967-1975. , In: Floudas, C., Pardalos, P. (eds.), 2nd edn., Springer, New YorkLavor, C., Lee, J., John, A.L.S., Liberti, L., Mucherino, A., Sviridenko, M., Discretization orders for distance geometry problems (2012) Optim. Lett, 6, pp. 783-796. , doi:10.1007/s11590-011-0302-6Lavor, C., Liberti, L., Maculan, N., The discretizable molecular distance geometry problem (2006) Tech. Rep, , q-bio/0608012, arXivLavor, C., Liberti, L., Maculan, N., Mucherino, A., The discretizable molecular distance geometry problem (2012) Comput. Optim. Appl, 52, pp. 115-146. , doi:10.1007/s10589-011-9402-6Lavor, C., Liberti, L., Mucherino, A., The iBranch-and-Prune algorithm for the discretizable molecular distance geometry problem with interval data J. Global Optim, , (accepted) doi: 10.1007/s10898-011-9799-6Lavor, C., Mucherino, A., Liberti, L., Maculan, N., An artificial backbone of hydrogens for finding the conformation of protein molecules (2009) Proceedings of the Computational Structural Bioinformatics Workshop, pp. 152-155. , IEEE, Washington, DCLavor, C., Mucherino, A., Liberti, L., Maculan, N., Computing artificial backbones of hydrogen atoms in order to discover protein backbones (2009) Proceedings of the International Multiconference On Computer Science and Information Technology, pp. 751-756. , IEEE, MragowoLavor, C., Mucherino, A., Liberti, L., Maculan, N., Discrete approaches for solving molecular distance geometry problems using NMR data (2010) Int. J. Comput. Biosci, 1, pp. 88-94Lavor, C., Mucherino, A., Liberti, L., Maculan, N., On the computation of protein backbones by using artificial backbones of hydrogens (2011) J. Global Optim, 50, pp. 329-344Liberti, L., Lavor, C., Maculan, N., A branch-and-prune algorithm for the molecular distance geometry problem (2008) Int. Trans. Oper. Res, 15, pp. 1-17Liberti, L., Masson, B., Lee, J., Lavor, C., Mucherino, A., On the number of solutions of the discretizable molecular distance geometry problem (2011) Combinatorial Optimization, Constraints and Applications (COCOA11). LNCS, 6831, pp. 322-342. , Springer, New YorkMenger, K., Untersuchungen über allgemeine metrik (1930) Mathematische Annalen, 103, pp. 466-501. , doi:10.1007/BF01455705Mucherino, A., Lavor, C., The branch and prune algorithm for the molecular distance geometry problem with inexact distances (2009) Proceedings of the International Conference On Computational Biology, 58, pp. 349-353. , World Academy of Science, Engineering and TechnologyMucherino, A., Lavor, C., Liberti, L., The discretizable distance geometry problem Optim. Lett, , (accepted) doi: 10.1007/s11590-011-0358-3Mucherino, A., Lavor, C., Liberti, L., Maculan, N., On the definition of artificial backbones for the discretizable molecular distance geometry problem (2009) Mathematica Balkanica, 23, pp. 289-302Mucherino, A., Lavor, C., Liberti, L., Talbi, E.G., On suitable parallel implementations of the branch & prune algorithm for distance geometry (2010) Proceedings of the Grid5000 Spring School, , Lille, FranceMucherino, A., Lavor, C., Liberti, L., Talbi, E.G., A parallel version of the branch & prune algorithm for the molecular distance geometry problem (2010) Proceedings of the ACS/IEEE International Conference On Computer Systems and Applications (AICCSA10), , IEEE, Hammamet, TunisiaMucherino, A., Liberti, L., Lavor, C., MD-jeep: An implementation of a branch-and-prune algorithm for distance geometry problems (2010) Mathematical Software. LNCS, 6327, pp. 186-197. , In: Fukuda, K., van der Hoeven, J., Joswig, M., Takayama, N. (eds.), Springer, New YorkPorta, J., Ros, L., Thomas, F., Inverse kinematics by distance matrix completion (2005) Proceedings of the 12th International Workshop On Computational Kinematics, pp. 1-9Saviotti, C., Nouvelles méthodes pour le calcul des travures réticulaires (1885) Appendix to L. Cremona, "Les Figures Réciproques En Statique Graphique", pp. 37-100. , Gauthier-Villars, ParisSaviotti, C., (1888) La Statica Grafica: Lezioni, , U. Hoepli, MilanoSchlick, T., (2002) Molecular Modelling and Simulation: An Interdisciplinary Guide, , Springer, New YorkTay, T.S., Whiteley, W., Generating isostatic frameworks (1985) Struct. Topology, 11, pp. 21-6
Selective removal of ammonia and phosphates from biologically oxidized municipal wastewaters. The RIM NUT process
No full text
On The Number Of Solutions Of The Discretizable Molecular Distance Geometry Problem
No full textThe Discretizable Molecular Distance Geometry Problem is a subset of instances of the distance geometry problem that can be solved by a combinatorial algorithm called "Branch-and-Prune". It was observed empirically that the number of solutions of YES instances is always a power of two. We perform an extensive theoretical analysis of the number of solutions for these instances and we prove that this number is a power of two with probability one. © 2011 Springer-Verlag.6831 LNCS322342Lavor, C., Liberti, L., Maculan, N., Computational experience with the molecular distance geometry problem (2006) Global Optimization: Scientific and Engineering Case Studies, pp. 213-225. , Pintér, J. (ed.) Springer, BerlinLiberti, L., Lavor, C., Maculan, N., Marinelli, F., Double variable neighbourhood search with smoothing for the molecular distance geometry problem (2009) Journal of Global Optimization, 43, pp. 207-218Saxe, J., Embeddability of weighted graphs in k-space is strongly NP-hard (1979) Proceedings of 17th Allerton Conference in Communications, Control and Computing, pp. 480-489Huang, H.X., Liang, Z.A., Pardalos, P., Some properties for the Euclidean distance matrix and positive semidefinite matrix completion problems (2003) Journal of Global Optimization, 25, pp. 3-21Hendrickson, B., The molecule problem: Exploiting structure in global optimization (1995) SIAM Journal on Optimization, 5, pp. 835-857Eren, T., Goldenberg, D., Whiteley, W., Yang, Y., Morse, A., Anderson, B., Belhumeur, P., Rigidity, computation, and randomization in network localization (2004) IEEE Infocom Proceedings, pp. 2673-2684Krislock, N., Wolkowicz, H., Explicit sensor network localization using semidefinite representations and facial reductions (2010) SIAM Journal on Optimization, 20, pp. 2679-2708Gunther, H., (1995) NMR Spectroscopy: Basic Principles, Concepts, and Applications in Chemistry, , Wiley, New YorkSchlick, T., (2002) Molecular Modelling and Simulation: An Interdisciplinary Guide, , Springer, New YorkSantana, R., Larrañaga, P., Lozano, J., Combining variable neighbourhood search and estimation of distribution algorithms in the protein side chain placement problem (2008) Journal of Heuristics, 14, pp. 519-547Lavor, C., Mucherino, A., Liberti, L., Maculan, N., Discrete approaches for solving molecular distance geometry problems using NMR data (2010) International Journal of Computational Biosciences, 1 (1), pp. 88-94Lavor, C., Liberti, L., Maculan, N., Mucherino, A., The discretizable molecular distance geometry problem Computational Optimization and Applications, , doi: 10.1007/s10589-011-9402-6Liberti, L., Lavor, C., Maculan, N., A branch-and-prune algorithm for the molecular distance geometry problem (2008) International Transactions in Operational Research, 15, pp. 1-17Mucherino, A., Lavor, C., Liberti, L., The discretizable distance geometry problem Optimization Letters, , To appear inLavor, C., Lee, J., John, A.L.S., Liberti, L., Mucherino, A., Sviridenko, M., Discretization orders for distance geometry problems Optimization Letters, , doi: 10.1007/s11590-011-0302-6Lavor, C., Mucherino, A., Liberti, L., Maculan, N., On the computation of protein backbones by using artificial backbones of hydrogens (2011) Journal of Global Optimization, 50, pp. 329-344Liberti, L., Lavor, C., Mucherino, A., Maculan, N., Molecular distance geometry methods: From continuous to discrete (2010) International Transactions in Operational Research, 18, pp. 33-51Lavor, C., Liberti, L., Maculan, N., Mucherino, A., Recent advances on the discretizable molecular distance geometry problem European Journal of Operational Research, , accepted / invited surveyBlumenthal, L., (1953) Theory and Applications of Distance Geometry, , Oxford University Press, OxfordConnelly, R., Generic global rigidity (2005) Discrete Computational Geometry, 33, pp. 549-563Brady, T., Watt, C., On products of Euclidean reflections (2006) American Mathematical Monthly, 113, pp. 826-829Lavor, C., Liberti, L., Maculan, N., (2006) The Discretizable Molecular Distance Geometry Problem, , Technical Report q-bio/0608012, arXivDong, Q., Wu, Z., A geometric build-up algorithm for solving the molecular distance geometry problem with sparse distance data (2003) Journal of Global Optimization, 26, pp. 321-333Coope, I., Reliable computation of the points of intersection of n spheres in Rn (2000) Australian and New Zealand Industrial and Applied Mathematics Journal, 42, pp. C461-C47
Polynomial programming prevents aircraft (and other) conflicts
No full textUsing a known algebraic result, we obtain a finite polynomial programming reformulation of a semi-infinite program modeling the aircraft deconfliction problem via subliminal speed regulation. Solving the reformulation yields better results than the state of the art for most of the tested instances
Advanced treatment and disinfection for municipal wastewater reuse in agriculture
No full textIn a 3-year joint research project, approved in 1995 by the European Commission, methods for advanced treatment and disinfection of municipal wastewater to permit reuse in agriculture were investigated. Pathogen inactivation, disinfection by-products (DBP) formation and the cost effectiveness of disinfection methods involving UV rays, ozone (O-3) and peracetic acid (PAA were evaluated. The investigation was carried out on municipal effluents which had received different degrees of treatment (secondary, clarified, clarified-filtered) in a 100 m(3)/h pilot plant that was designed, built and operated at West Bari (S. Italy) municipal wastewater treatment plant. Under the experimental conditions investigated, the WHO microbial guideline for unrestricted reuse of wastewater in agriculture (1,000 CFU/100ml for Faecal Coliforms) was easily achieved with all three disinfectants, while the corresponding Italian standard (2 CFU/100ml) was effectively met only with UV at an O&M cost in the range 17.5-35 EURO/1000m(3). Log-inactivation values greater than or equal to 5 for both UV and PAA and greater than or equal to 3 for O-3 were obtained; selected pathogens were affected by UV and, in part, by O-3. No DBPs were detected with UV and PAA, while limited formation of aldehydes was found with O-3
Nutrient removal from biologically oxidized municipal wastewaters by ion exchange. The Rim-Nut process
No full text
- …
