Application of Inductive Logic Programming to Structure-Based Drug Design

Enot, D. and King, R. D. (2003) Application of Inductive Logic Programming to Structure-Based Drug Design. 7th European Conference on Principles and Practice of Knowledge Discovery in Databases (PKDD '03). Springer LNAI 2838 p156-167

An Empirical Study of the Use of Relevance Information in Inductive Logic Programming

Srinivasan, A., King, R. D. and Bain, M.E. (2003) An Empirical Study of the Use of Relevance Information in Inductive Logic Programming. Journal of Machine Learning Research. 4(Jul):369-383

Structure based drug design with inductive logic programming

David P. Enot and Ross D. King (2003). Structure based drug design with inductive logic programming. The ACS National Meeting Spring 2003, New Orleans

The use of Inductive Logic Programming in drug design

David P. Enot and Ross D. King (2002) The use of Inductive Logic Programming in drug design. Proceedings of the 14th EuroQSAR Symposium (EuroQSAR 2002). Blackwell Publishing, p247-250

Adaptive denoising in spectral analysis by genetic programming

Rowland, J.J. and Taylor, J. (2002). Adaptive denoising in spectral analysis by genetic programming. Proc. IEEE Congress on Evolutionary Computation (part of WCCI), May 2002. pp 133-138. ISBN 0-7803-7281-6

A cognitive approach to identifying measurable milestones for programming skill acquisition

Mead, J., Gray, S., Hamer, J., James, R., Sorva, J., Clair, C. S., and Thomas, L. 2006. A cognitive approach to identifying measurable milestones for programming skill acquisition. SIGCSE Bull. 38, 4 (Dec. 2006), 182-194.

Code warriors and code-a-phobes: a study in attitude and pair programming

Thomas, L., Ratcliffe, M., and Robertson, A. 2003. Code warriors and code-a-phobes: a study in attitude and pair programming. SIGCSE Bull. 35, 1 (Jan. 2003), 363-367.

Learning styles and performance in the introductory programming sequence

Thomas, L., Ratcliffe, M., Woodbury, J., and Jarman, E. 2002. Learning styles and performance in the introductory programming sequence. SIGCSE Bull. 34, 1 (Mar. 2002), 33-37.

Estrategias en el diseño de producto utilizando análisis conjunto

El diseño de producto está presente en las empresas de una manera global y perpetua en el tiempo, sin embargo en la actualidad se emplean técnicas matemáticas donde antes se utilizaba la imaginación. Gracias al análisis conjunto las empresas son capaces de predecir las tendencias de los mercados analizando los atributos que consideran más importantes de su producto y así desarrollar un nuevo bien acorde con las necesidades de los consumidores. En este trabajo de fin de grado voy a estudiar la empresa Nespresso y mediante una muestra de clientes potenciales voy a utilizar la programación conjunta para diseñar un nuevo tipo de café en cápsulas que no está presente en la variedad actual de productos de la marca. Así mismo estudiaré el mercado del café en España y el marketing llevado a cabo por la compañía.

A model for the simulation of macroalgal population dynamics and productivity

A mathematical model to simulate the population dynamics and productivity of macroalgae is described. The model calculates the biomass variation of a population divided into size-classes. Biomass variation in each class is estimated from the mass balance of carbon fixation, carbon release and demographic processes such as mortality and frond breakage. The transitions between the different classes are calculated in biomass and density units as a function of algal growth. Growth is computed from biomass variations using an allometric relationship between weight and length. Gross and net primary productivity is calculated from biomass production and losses over the period of simulation. The model allows the simulation of different harvesting strategies of commercially important species. The cutting size and harvesting period may be changed in order to optimise the calculated yields. The model was used with the agarophyte Gelidium sesquipedale (Clem.) Born. et Thur. This species was chosen because of its economic importance as a the main raw material for the agar industry. Net primary productivity calculated with it and from biomass variations over a yearly period, gave similar results. The results obtained suggest that biomass dynamics and productivity are more sensitive to the light extinction coefficient than to the initial biomass conditions for the model. Model results also suggest that biomass losses due to respiration and exudation are comparable to those resulting from mortality and frond breakage. During winter, a significant part of the simulated population has a negative net productivity. The importance of considering different parameters in the productivity light relationships in order to account for their seasonal variability is demonstrated with the model results. The model was implemented following an object oriented programming approach. The programming methodology allows a fast adaptation of the model to other species without major software development.

Programming Examples Needing Polymorphic Recursion

Inferring types for polymorphic recursive function definitions (abbreviated to polymorphic recursion) is a recurring topic on the mailing lists of popular typed programming languages. This is despite the fact that type inference for polymorphic recursion using for all-types has been proved undecidable. This report presents several programming examples involving polymorphic recursion and determines their typability under various type systems, including the Hindley-Milner system, an intersection-type system, and extensions of these two. The goal of this report is to show that many of these examples are typable using a system of intersection types as an alternative form of polymorphism. By accomplishing this, we hope to lay the foundation for future research into a decidable intersection-type inference algorithm. We do not provide a comprehensive survey of type systems appropriate for polymorphic recursion, with or without type annotations inserted in the source language. Rather, we focus on examples for which types may be inferred without type annotations.

Lightweight Formal Verification in Classroom Instruction of Reasoning about Functional Code

In college courses dealing with material that requires mathematical rigor, the adoption of a machine-readable representation for formal arguments can be advantageous. Students can focus on a specific collection of constructs that are represented consistently. Examples and counterexamples can be evaluated. Assignments can be assembled and checked with the help of an automated formal reasoning system. However, usability and accessibility do not have a high priority and are not addressed sufficiently well in the design of many existing machine-readable representations and corresponding formal reasoning systems. In earlier work [Lap09], we attempt to address this broad problem by proposing several specific design criteria organized around the notion of a natural context: the sphere of awareness a working human user maintains of the relevant constructs, arguments, experiences, and background materials necessary to accomplish the task at hand. We report on our attempt to evaluate our proposed design criteria by deploying within the classroom a lightweight formal verification system designed according to these criteria. The lightweight formal verification system was used within the instruction of a common application of formal reasoning: proving by induction formal propositions about functional code. We present all of the formal reasoning examples and assignments considered during this deployment, most of which are drawn directly from an introductory text on functional programming. We demonstrate how the design of the system improves the effectiveness and understandability of the examples, and how it aids in the instruction of basic formal reasoning techniques. We make brief remarks about the practical and administrative implications of the system’s design from the perspectives of the student, the instructor, and the grader.

Extending snBench to Support a Graphical Programming Interface for a Sensor Network Tasking Language (STEP)

The purpose of this project is the creation of a graphical "programming" interface for a sensor network tasking language called STEP. The graphical interface allows the user to specify a program execution graphically from an extensible pallet of functionalities and save the results as a properly formatted STEP file. Moreover, the software is able to load a file in STEP format and convert it into the corresponding graphical representation. During both phases a type-checker is running on the background to ensure that both the graphical representation and the STEP file are syntactically correct. This project has been motivated by the Sensorium project at Boston University. In this technical report we present the basic features of the software, the process that has been followed during the design and implementation. Finally, we describe the approach used to test and validate our software.

Dynamic Programming for Optimal Control of Set-Up Scheduling with Neural Network Modifications

This paper demonstrates an optimal control solution to change of machine set-up scheduling based on dynamic programming average cost per stage value iteration as set forth by Cararnanis et. al. [2] for the 2D case. The difficulty with the optimal approach lies in the explosive computational growth of the resulting solution. A method of reducing the computational complexity is developed using ideas from biology and neural networks. A real time controller is described that uses a linear-log representation of state space with neural networks employed to fit cost surfaces.

Mathematical modelling and optimisation of the formulation and manufacture of aggregate food products

In this PhD study, mathematical modelling and optimisation of granola production has been carried out. Granola is an aggregated food product used in breakfast cereals and cereal bars. It is a baked crispy food product typically incorporating oats, other cereals and nuts bound together with a binder, such as honey, water and oil, to form a structured unit aggregate. In this work, the design and operation of two parallel processes to produce aggregate granola products were incorporated: i) a high shear mixing granulation stage (in a designated granulator) followed by drying/toasting in an oven. ii) a continuous fluidised bed followed by drying/toasting in an oven. In addition, the particle breakage of granola during pneumatic conveying produced by both a high shear granulator (HSG) and fluidised bed granulator (FBG) process were examined. Products were pneumatically conveyed in a purpose built conveying rig designed to mimic product conveying and packaging. Three different conveying rig configurations were employed; a straight pipe, a rig consisting two 45° bends and one with 90° bend. It was observed that the least amount of breakage occurred in the straight pipe while the most breakage occurred at 90° bend pipe. Moreover, lower levels of breakage were observed in two 45° bend pipe than the 90° bend vi pipe configuration. In general, increasing the impact angle increases the degree of breakage. Additionally for the granules produced in the HSG, those produced at 300 rpm have the lowest breakage rates while the granules produced at 150 rpm have the highest breakage rates. This effect clearly the importance of shear history (during granule production) on breakage rates during subsequent processing. In terms of the FBG there was no single operating parameter that was deemed to have a significant effect on breakage during subsequent conveying. A population balance model was developed to analyse the particle breakage occurring during pneumatic conveying. The population balance equations that govern this breakage process are solved using discretization. The Markov chain method was used for the solution of PBEs for this process. This study found that increasing the air velocity (by increasing the air pressure to the rig), results in increased breakage among granola aggregates. Furthermore, the analysis carried out in this work provides that a greater degree of breakage of granola aggregates occur in line with an increase in bend angle.