Study of liquid crystalline order by NMR

The liquid crystalline phase represents a unique state of matter where partial order exists on molecular and supra-molecular levels and is responsible for several interesting properties observed in this phase. Hence a detailed study of ordering in liquid crystals is of significant scientific and technological interest. NMR provides several parameters that can be used to obtain information about the liquid crystalline phase. Of these, the measurement of dipolar couplings between nuclei has proved to be a convenient way of obtaining liquid crystalline ordering since the coupling is dependent on the average orientation of the dipolar vector in the magnetic field which also aligns the liquid crystal.However, measurement of the dipolar coupling between a pair of selected nuclei is beset with problems that require special solutions. In this article the use of cross polarization for measuring dipolar couplings in liquid crystals is illustrated. Transient oscillations observed during cross polarization provide the dipolar couplings between essentially isolated nearest neighbor spins which can be extracted for several sites simultaneously by employing two-dimensional NMR techniques. The use of the method for obtaining heteronuclear dipolar couplings and hence the order parameters of liquid crystals is presented. Several modifications to the basic experiment are considered and their utility illustrated. A method for obtaining proton–proton dipolar couplings, by utilizing cross polarization from the dipolar reservoir, is presented. Some applications are also highlighted.

Discovering injective episodes with general partial orders

Frequent episode discovery is a popular framework for temporal pattern discovery in event streams. An episode is a partially ordered set of nodes with each node associated with an event type. Currently algorithms exist for episode discovery only when the associated partial order is total order (serial episode) or trivial (parallel episode). In this paper, we propose efficient algorithms for discovering frequent episodes with unrestricted partial orders when the associated event-types are unique. These algorithms can be easily specialized to discover only serial or parallel episodes. Also, the algorithms are flexible enough to be specialized for mining in the space of certain interesting subclasses of partial orders. We point out that frequency alone is not a sufficient measure of interestingness in the context of partial order mining. We propose a new interestingness measure for episodes with unrestricted partial orders which, when used along with frequency, results in an efficient scheme of data mining. Simulations are presented to demonstrate the effectiveness of our algorithms.

Statistical significance of episodes with general partial orders

Frequent episode discovery is one of the methods used for temporal pattern discovery in sequential data. An episode is a partially ordered set of nodes with each node associated with an event type. For more than a decade, algorithms existed for episode discovery only when the associated partial order is total (serial episode) or trivial (parallel episode). Recently, the literature has seen algorithms for discovering episodes with general partial orders. In frequent pattern mining, the threshold beyond which a pattern is inferred to be interesting is typically user-defined and arbitrary. One way of addressing this issue in the pattern mining literature has been based on the framework of statistical hypothesis testing. This paper presents a method of assessing statistical significance of episode patterns with general partial orders. A method is proposed to calculate thresholds, on the non-overlapped frequency, beyond which an episode pattern would be inferred to be statistically significant. The method is first explained for the case of injective episodes with general partial orders. An injective episode is one where event-types are not allowed to repeat. Later it is pointed out how the method can be extended to the class of all episodes. The significance threshold calculations for general partial order episodes proposed here also generalize the existing significance results for serial episodes. Through simulations studies, the usefulness of these statistical thresholds in pruning uninteresting patterns is illustrated. (C) 2014 Elsevier Inc. All rights reserved.

Voting Paths

We consider a variant of the popular matching problem here. The input instance is a bipartite graph $G=(\mathcal{A}\cup\mathcal{P},E)$, where vertices in $\mathcal{A}$ are called applicants and vertices in $\mathcal{P}$ are called posts. Each applicant ranks a subset of posts in an order of preference, possibly involving ties. A matching $M$ is popular if there is no other matching $M'$ such that the number of applicants who prefer their partners in $M'$ to $M$ exceeds the number of applicants who prefer their partners in $M$ to $M'$. However, the “more popular than” relation is not transitive; hence this relation is not a partial order, and thus there need not be a maximal element here. Indeed, there are simple instances that do not admit popular matchings. The questions of whether an input instance $G$ admits a popular matching and how to compute one if it exists were studied earlier by Abraham et al. Here we study reachability questions among matchings in $G$, assuming that $G=(\mathcal{A}\cup\mathcal{P},E)$ admits a popular matching. A matching $M_k$ is reachable from $M_0$ if there is a sequence of matchings $\langle M_0,M_1,\dots,M_k\rangle$ such that each matching is more popular than its predecessor. Such a sequence is called a length-$k$ voting path from $M_0$ to $M_k$. We show an interesting property of reachability among matchings in $G$: there is always a voting path of length at most 2 from any matching to some popular matching. Given a bipartite graph $G=(\mathcal{A}\cup\mathcal{P},E)$ with $n$ vertices and $m$ edges and any matching $M_0$ in $G$, we give an $O(m\sqrt{n})$ algorithm to compute a shortest-length voting path from $M_0$ to a popular matching; when preference lists are strictly ordered, we have an $O(m+n)$ algorithm. This problem has applications in dynamic matching markets, where applicants and posts can enter and leave the market, and applicants can also change their preferences arbitrarily. After any change, the current matching may no longer be popular, in which case we are required to update it. However, our model demands that we switch from one matching to another only if there is consensus among the applicants to agree to the switch. Hence we need to update via a voting path that ends in a popular matching. Thus our algorithm has applications here.

Boxicity and Poset Dimension

Let G be a simple, undirected, finite graph with vertex set V(G) and edge set E(C). A k-dimensional box is a Cartesian product of closed intervals a(1), b(1)] x a(2), b(2)] x ... x a(k), b(k)]. The boxicity of G, box(G) is the minimum integer k such that G can be represented as the intersection graph of k-dimensional boxes, i.e. each vertex is mapped to a k-dimensional box and two vertices are adjacent in G if and only if their corresponding boxes intersect. Let P = (S, P) be a poset where S is the ground set and P is a reflexive, anti-symmetric and transitive binary relation on S. The dimension of P, dim(P) is the minimum integer l such that P can be expressed as the intersection of t total orders. Let G(P) be the underlying comparability graph of P. It is a well-known fact that posets with the same underlying comparability graph have the same dimension. The first result of this paper links the dimension of a poset to the boxicity of its underlying comparability graph. In particular, we show that for any poset P, box(G(P))/(chi(G(P)) - 1) <= dim(P) <= 2box(G(P)), where chi(G(P)) is the chromatic number of G(P) and chi(G(P)) not equal 1. The second result of the paper relates the boxicity of a graph G with a natural partial order associated with its extended double cover, denoted as G(c). Let P-c be the natural height-2 poset associated with G(c) by making A the set of minimal elements and B the set of maximal elements. We show that box(G)/2 <= dim(P-c) <= 2box(G) + 4. These results have some immediate and significant consequences. The upper bound dim(P) <= 2box(G(P)) allows us to derive hitherto unknown upper bounds for poset dimension. In the other direction, using the already known bounds for partial order dimension we get the following: (I) The boxicity of any graph with maximum degree Delta is O(Delta log(2) Delta) which is an improvement over the best known upper bound of Delta(2) + 2. (2) There exist graphs with boxicity Omega(Delta log Delta). This disproves a conjecture that the boxicity of a graph is O(Delta). (3) There exists no polynomial-time algorithm to approximate the boxicity of a bipartite graph on n vertices with a factor of O(n(0.5-epsilon)) for any epsilon > 0, unless NP=ZPP.

Generalized frequent episodes in Event Sequences

Discovering patterns in temporal data is an important task in Data Mining. A successful method for this was proposed by Mannila et al. [1] in 1997. In their framework, mining for temporal patterns in a database of sequences of events is done by discovering the so called frequent episodes. These episodes characterize interesting collections of events occurring relatively close to each other in some partial order. However, in this framework(and in many others for finding patterns in event sequences), the ordering of events in an event sequence is the only allowed temporal information. But there are many applications where the events are not instantaneous; they have time durations. Interesting episodesthat we want to discover may need to contain information regarding event durations etc. In this paper we extend Mannila et al.’s framework to tackle such issues. In our generalized formulation, episodes are defined so that much more temporal information about events can be incorporated into the structure of an episode. This significantly enhances the expressive capability of the rules that can be discovered in the frequent episode framework. We also present algorithms for discovering such generalized frequent episodes.

Boxicity and Poset Dimension

Let G be a simple, undirected, finite graph with vertex set V (G) and edge set E(G). A k-dimensional box is a Cartesian product of closed intervals [a(1), b(1)] x [a(2), b(2)] x ... x [a(k), b(k)]. The boxicity of G, box(G), is the minimum integer k such that G can be represented as the intersection graph of k-dimensional boxes; i.e., each vertex is mapped to a k-dimensional box and two vertices are adjacent in G if and only if their corresponding boxes intersect. Let P = (S, P) be a poset, where S is the ground set and P is a reflexive, antisymmetric and transitive binary relation on S. The dimension of P, dim(P), is the minimum integer t such that P can be expressed as the intersection of t total orders. Let G(P) be the underlying comparability graph of P; i.e., S is the vertex set and two vertices are adjacent if and only if they are comparable in P. It is a well-known fact that posets with the same underlying comparability graph have the same dimension. The first result of this paper links the dimension of a poset to the boxicity of its underlying comparability graph. In particular, we show that for any poset P, box(G(P))/(chi(G(P)) - 1) <= dim(P) <= 2box(G(P)), where chi(G(P)) is the chromatic number of G(P) and chi(G(P)) not equal 1. It immediately follows that if P is a height-2 poset, then box(G(P)) <= dim(P) <= 2box(G(P)) since the underlying comparability graph of a height-2 poset is a bipartite graph. The second result of the paper relates the boxicity of a graph G with a natural partial order associated with the extended double cover of G, denoted as G(c): Note that G(c) is a bipartite graph with partite sets A and B which are copies of V (G) such that, corresponding to every u is an element of V (G), there are two vertices u(A) is an element of A and u(B) is an element of B and {u(A), v(B)} is an edge in G(c) if and only if either u = v or u is adjacent to v in G. Let P(c) be the natural height-2 poset associated with G(c) by making A the set of minimal elements and B the set of maximal elements. We show that box(G)/2 <= dim(P(c)) <= 2box(G) + 4. These results have some immediate and significant consequences. The upper bound dim(P) <= 2box(G(P)) allows us to derive hitherto unknown upper bounds for poset dimension such as dim(P) = 2 tree width (G(P)) + 4, since boxicity of any graph is known to be at most its tree width + 2. In the other direction, using the already known bounds for partial order dimension we get the following: (1) The boxicity of any graph with maximum degree Delta is O(Delta log(2) Delta), which is an improvement over the best-known upper bound of Delta(2) + 2. (2) There exist graphs with boxicity Omega(Delta log Delta). This disproves a conjecture that the boxicity of a graph is O(Delta). (3) There exists no polynomial-time algorithm to approximate the boxicity of a bipartite graph on n vertices with a factor of O(n(0.5-is an element of)) for any is an element of > 0 unless NP = ZPP.

Partial instantiation methods for inference in first-order logic

Satisfiability algorithms for propositional logic have improved enormously in recently years. This improvement increases the attractiveness of satisfiability methods for first-order logic that reduce the problem to a series of ground-level satisfiability problems. R. Jeroslow introduced a partial instantiation method of this kind that differs radically from the standard resolution-based methods. This paper lays the theoretical groundwork for an extension of his method that is general enough and efficient enough for general logic programming with indefinite clauses. In particular we improve Jeroslow's approach by (1) extending it to logic with functions, (2) accelerating it through the use of satisfiers, as introduced by Gallo and Rago, and (3) simplifying it to obtain further speedup. We provide a similar development for a "dual" partial instantiation approach defined by Hooker and suggest a primal-dual strategy. We prove correctness of the primal and dual algorithms for full first-order logic with functions, as well as termination on unsatisfiable formulas. We also report some preliminary computational results.

Unsteady laminar compressible stagnation-point boundary-layer flow over a three-dimensional body: Higher order effects

The unsteady laminar compressible three-dimensional stagnation-point boundary-layer flow with variable properties has been studied when the velocity of the incident stream, mass transfer and wall temperature vary arbitrarily with time. The second-order unsteady boundary-layer equations for all the effects have been derived by using the method of matched asymptotic expansions. Both nodal and saddle point flows as well as cold and hot wall cases have been considered. The partial differential equations governing the flow have been solved numerically using an implicit finite-difference scheme. Computations have been carried out for an accelerating stream, a decelerating stream and a fluctuating stream. The results indicate that the unsteady free stream velocity distributions, the nature of the stagnation point, the mass transfer, the wall temperature and the variation of the density-viscosity product across the boundary significantly affect the skin friction and heat transfer. The variation of the wall temperature with time strongly affects the heat transfer whereas its effect is comparatively less on skin friction. Suction increases the skin friction and heat transfer but injection does the opposite. The skin friction in the x direction due to the combined effects of first- and second-order boundary layers is less than the skin-friction in the x direction due to the first-order boundary layers for all the parameters. The overall skin friction in the z direction and heat transfer are more or less than the first-order boundary layers depending upon the values of the various parameters.

Interval Data Classification under Partial Information: A Chance-Constraint Approach

This paper presents a Chance-constraint Programming approach for constructing maximum-margin classifiers which are robust to interval-valued uncertainty in training examples. The methodology ensures that uncertain examples are classified correctly with high probability by employing chance-constraints. The main contribution of the paper is to pose the resultant optimization problem as a Second Order Cone Program by using large deviation inequalities, due to Bernstein. Apart from support and mean of the uncertain examples these Bernstein based relaxations make no further assumptions on the underlying uncertainty. Classifiers built using the proposed approach are less conservative, yield higher margins and hence are expected to generalize better than existing methods. Experimental results on synthetic and real-world datasets show that the proposed classifiers are better equipped to handle interval-valued uncertainty than state-of-the-art.

A note on non-separable solutions of linear partial differential equation

A method has been presented for constructing non-separable solutions of homogeneous linear partial differential equations of the type F(D, D′)W = 0, where D = ∂/∂x, D′ = ∂/∂y, Image where crs are constants and n stands for the order of the equation. The method has also been extended for equations of the form Φ(D, D′, D″)W = 0, where D = ∂/∂x, D′ = ∂/∂y, D″ = ∂/∂z and Image As illustration, the method has been applied to obtain nonseparable solutions of the two and three dimensional Helmholtz equations.

Application of Laplace transform technique to the solution of certain third-order non-linear systems

A number of papers have appeared on the application of operational methods and in particular the Laplace transform to problems concerning non-linear systems of one kind or other. This, however, has met with only partial success in solving a class of non-linear problems as each approach has some limitations and drawbacks. In this study the approach of Baycura has been extended to certain third-order non-linear systems subjected to non-periodic excitations, as this approximate method combines the advantages of engineering accuracy with ease of application to such problems. Under non-periodic excitations the method provides a procedure for estimating quickly the maximum response amplitude, which is important from the point of view of a designer. Limitations of such a procedure are brought out and the method is illustrated by an example taken from a physical situation.

Semi-similar solutions of the unsteady compressible second-order boundary layer flow at the stagnation point

Semi-similar solutions of the unsteady compressible laminar boundary layer flow over two-dimensional and axisymmetric bodies at the stagnation point with mass transfer are studied for all the second-order boundary layer effects when the free stream velocity varies arbitrarily with time. The set of partial differential equations governing the unsteady compressible second-order boundary layers representing all the effects are derived for the first time. These partial differential equations are solved numerically using an implicit finite-difference scheme. The results are obtained for two particular unsteady free stream velocity distributions: (a) an accelerating stream and (b) a fluctuating stream. It is observed that the total skin friction and heat transfer are strongly affected by the surface mass transfer and wall temperature. However, their variation with time is significant only for large times. The second-order boundary layer effects are found to be more pronounced in the case of no mass transfer or injection as compared to that for suction. Résumé Des solutions semi-similaires d'écoulement variable compressible de couche limite sur des corps bi-dimensionnels thermique, sont étudiées pour tous les effets de couche limite du second ordre, lorsque la vitesse de l'écoulement libre varie arbitrairement avec le temps. Le systéme d'équations aux dérivées partielles représentant tous les effets est écrit pour la premiére fois. On le résout numériquement á l'aide d'un schéma implicite aux différences finies. Les résultats sont obtenus pour deux cas de vitesse variable d'écoulement libre: (a) un écoulement accéléré et (b) un écoulement fluctuant. On observe que le frottement pariétal total et le transfert de chaleur sont fortement affectés par le transfert de masse et la température pariétaux. Néanmoins, leur variation avec le temps est sensible seulement pour des grandes durées. Les effets sont trouvés plus prononcés dans le cas de l'absence du transfert de masse ou de l'injection par rapport au cas de l'aspiration.

Second-order boundary-layer effects for the unsteady laminar incompressible three-dimensional stagnation-point flow

All the second-order boundary-layer effects on the unsteady laminar incompressible flow at the stagnation-point of a three-dimensional body for both nodal and saddle point regions have been studied. It has been assumed that the free-stream velocity, wall temperature and mass transfer vary arbitrarily with time. The effect of the Prandtl number has been taken into account. The partial differential equations governing the flow have been derived for the first time and then solved numerically unsteady free-stream velocity distributions, the nature of the using an implicit finite-difference scheme. It is found that the stagnation point and the mass transfer strongly affect the skin friction and heat transfer whereas the effects of the Prandtl number and the variation of the wall temperature with time are only on the heat transfer. The skin friction due to the combined effects of first- and second-order boundary layers is less than the skin friction due to, the first-order boundary layers whereas the heat transfer has the opposite behaviour. Suction increases the skin friction and heat transfer but injection does the opposite

Derivation and consistency of the partial functions of the ternary system involving interaction coefficients

The logarithm of activity coefficients of the components of the ternary system is derived based on the Maclaurin infinite series, which is expressed in terms of the integral property of the system and subjected to appropriate boundary conditions. The derivation of the functions involves extensive summation of various infinite series pertaining to the first-order interaction coefficients that have been shown completely to remove any truncational error. Since the conventional equations involving interaction coefficients are internally inconsistent, a consistent form of the partial functions is developed in the article using the technique just described. The thermodynamic consistency of the functions based on the Maxwell and the Gibbs-Duhem relations has been established. The derived values of the logarithmic activity coefficients of the components have been found to be in agreement with the thermodynamic data of the Fe-Cr-Ni system at 1873 K and have been found to be independent of the compositional paths.