Introducing new constructs for data modelling and column generation in LP modelling languages

Through popular implementation of structured query language (SQL) and query-by-example(QBE) relational databases have become the de-facto industry standard for data modelling.We consider the indices, sets, and the declarative form of Linear Programming (LP) modelling languages and introduce new constructs which provide direct link to the database systems. The models constructed in this way are data driven and display a dynamicstructure. We then show how this approach can be naturally extended to include column generation features stated in procedural forms within an otherwise declarative modelling paradigm

Sets and indices in linear programming modelling and their integration with relational data models

LP models are usually constructed using index sets and data tables which are closely related to the attributes and relations of relational database (RDB) systems. We extend the syntax of MPL, an existing LP modelling language, in order to connect it to a given RDB system. This approach reuses existing modelling and database software, provides a rich modelling environment and achieves model and data independence. This integrated software enables Mathematical Programming to be widely used as a decision support tool by unlocking the data residing in corporate databases

A spectral deferred correction strategy for low Mach number reacting flows subject to electric fields

We propose an algorithm for low Mach number reacting flows subjected to electric field that includes the chemical production and transport of charged species. This work is an extension of a multi-implicit spectral deferred correction (MISDC) algorithm designed to advance the conservation equations in time at scales associated with advective transport. The fast and nontrivial interactions of electrons with the electric field are treated implicitly using a Jacobian-Free Newton Krylov approach for which a preconditioning strategy is developed. Within the MISDC framework, this enables a close and stable coupling of diffusion, reactions and dielectric relaxation terms with advective transport and is shown to exhibit second-order convergence in space and time. The algorithm is then applied to a series of steady and unsteady problems to demonstrate its capability and stability. Although developed in a one-dimensional case, the algorithmic ingredients are carefully designed to be amenable to multidimensional applications

Relativistic general-order coupled-cluster method for high-precision calculations: Application to Al+ atomic clock

We report the implementation of a general-order relativistic coupled-cluster method for performing high-precision calculations of atomic and molecular properties. As a first application, the static dipole polarizabilities of the ground and first excited states of Al+ have been determined to precisely estimate the uncertainty associated with the BBR shift of its clock frequency measurement. The obtained relative BBR shift is -3.66+-0.44 for the 3s^2 ^1S_0^0 --> 3s3p ^3P_0^0 transition in Al+ in contrast to the value obtained in the latest clock frequency measurement, -9+-3 [Phys. Rev. Lett. 104, 070802 (2010)]. The method developed in the present work can be employed to study a variety of subtle effects such as fundamental symmetry violations in atoms.Comment: 4 pages, 3 tables, submitte

Adiabatic Electron-Phonon Interaction and High-Temperature Thermodynamics of A15 Compounds

Inelastic neutron scattering was used to measure the phonon densities of states of the A15 compounds V_3Si, V_3Ge, and V_3Co at temperatures from 10 to 1273 K. It was found that phonons in V_3Si and V_3Ge, which are superconducting at low temperatures, exhibit an anomalous stiffening with increasing temperature, whereas phonons in V_3Co have a normal softening behavior. First-principles calculations show that this anomalous increase in phonon frequencies at high temperatures originates with an adiabatic electron-phonon coupling mechanism. The anomaly is caused by the thermally induced broadening of sharp peaks in the electronic density of states of V_3Si and V_3Ge, which tends to decrease the electronic density at the Fermi level. These results show that the adiabatic electron-phonon coupling can influence the phonon thermodynamics at temperatures exceeding 1000 K

Use of Logical Models for Proving Operational Termination in General Logics

The final publication is available at Springer via http://dx.doi.org/10.1007/978-3-319-44802-2_2[EN] A declarative programming language is based on some logic L and its operational semantics is given by a proof calculus which is often presented in a natural deduction style by means of inference rules. Declarative programs are theories S of L and executing a program is proving goals ϕ in the inference system I(S) associated to S as a particulariza-tion of the inference system of the logic. The usual soundness assumption for L implies that every model A of S also satisfies ϕ. In this setting, the operational termination of a declarative program is quite naturally defined as the absence of infinite proof trees in the inference system I(S). Proving operational termination of declarative programs often involves two main ingredients: (i) the generation of logical models A to abstract the program execution (i.e., the provability of specific goals in I(S)), and (ii) the use of well-founded relations to guarantee the absence of infinite branches in proof trees and hence of infinite proof trees, possibly taking into account the information about provability encoded by A. In this paper we show how to deal with (i) and (ii) in a uniform way. The main point is the synthesis of logical models where well-foundedness is a side requirement for some specific predicate symbols.Partially supported by the EU (FEDER), Spanish MINECO TIN 2013-45732-C4-1-P and TIN2015-69175-C4-1-R, and GV PROMETEOII/2015/013.Lucas Alba, S. (2016). Use of Logical Models for Proving Operational Termination in General Logics. Lecture Notes in Computer Science. 9942:26-46. https://doi.org/10.1007/978-3-319-44802-2S2646994

Fault Localization in Multi-Threaded C Programs using Bounded Model Checking (extended version)

Software debugging is a very time-consuming process, which is even worse for multi-threaded programs, due to the non-deterministic behavior of thread-scheduling algorithms. However, the debugging time may be greatly reduced, if automatic methods are used for localizing faults. In this study, a new method for fault localization, in multi-threaded C programs, is proposed. It transforms a multi-threaded program into a corresponding sequential one and then uses a fault-diagnosis method suitable for this type of program, in order to localize faults. The code transformation is implemented with rules and context switch information from counterexamples, which are typically generated by bounded model checkers. Experimental results show that the proposed method is effective, in such a way that sequential fault-localization methods can be extended to multi-threaded programs.Comment: extended version of paper published at SBESC'1

Electron-phonon interactions and high-temperature thermodynamics of vanadium and its alloys

Inelastic neutron scattering was used to measure the phonon densities of states (DOSs) for pure V and solid solutions of V with 6 to 7at% of Co, Nb, and Pt, at temperatures from 10 K to 1323 K. Ancillary measurements of heat capacity and thermal expansion are reported on V and V-7at%Co and used to help identify the different sources of entropy. Pure V exhibits an anomalous anharmonic stiffening of phonons with increasing temperature. This anharmonicity is suppressed by Co and Pt, but not by isoelectronic Nb solutes. The changes in phonon frequency with alloying and with temperature both correlate to the decrease in electron density of states (DOS) at the Fermi level as calculated using density functional theory. The effects of both temperature and alloying can be understood in terms of an adiabatic electron-phonon interaction (EPI), which broadens sharp features in the electron DOS. These results show that the adiabatic EPI can influence the phonon thermodynamics at temperatures exceeding 1000 K, and that thermal trends of phonons may help assess the strength of the EPI