A Theory of Program Refinement

We give a canonical program refinement calculus based on the lambda calculus and classical first-order predicate logic, and study its proof theory and semantics. The intention is to construct a metalanguage for refinement in which basic principles of program development can be studied. The idea is that it should be possible to induce a refinement calculus in a generic manner from a programming language and a program logic. For concreteness, we adopt the simply-typed lambda calculus augmented with primitive recursion as a paradigmatic typed functional programming language, and use classical first-order logic as a simple program logic. A key feature is the construction of the refinement calculus in a modular fashion, as the combination of two orthogonal extensions to the underlying programming language (in this case, the simply-typed lambda calculus). The crucial observation is that a refinement calculus is given by extending a programming language to allow indeterminate expressions (or 'stubs') involving the construction 'some program x such that P'. Factoring this into 'some x ...' and '... such that P', we first study extensions to the lambda calculus providing separate analyses of what we might call 'true' stubs, and structured specifications. The questions we are concerned with in these calculi are how do stubs interact with the programming language, and what is a suitable notion of structured specification for program development. The full refinement calculus is then constructed in a natural way as the combination of these two subcalculi. The claim that the subcalculi are orthogonal extensions to the lambda calculus is justified by a result that a refinement can actually be factored into simpler judgements in the subcalculi, that is, into logical reasoning and simple decomposition. The semantics for the calculi are given using Henkin models with additional structure. Both simply-typed lambda calculus and first-order logic are interpreted using Henkin models themselves. The two subcalculi require some extra structure and the full refinement calculus is modelled by Henkin models with a combination of these extra requirements. There are soundness and completeness results for each calculus, and by virtue of there being certain embeddings of models we can infer that the refinement calculus is a conservative extension of both of the subcalculi which, in turn, are conservative extensions of the lambda calculus

Certification of programs with computational effects

In purely functional programming languages imperative features, more generally computational effects are prohibited. However, non-functional lan- guages do involve effects. The theory of decorated logic provides a rigorous for- malism (with a refinement in operation signatures) for proving program properties with respect to computational effects. The aim of this thesis is to first develop Coq libraries and tools for verifying program properties in decorated settings as- sociated with several effects: states, local state, exceptions, non-termination, etc. Then, these tools will be combined to deal with several effects

CSM-361 - A Logic for Schema-based Program Development

We show how a theory of specification refinement and program development can be constructed as a conservative extension of our existing logic for Z. The resulting system can be set up as a development method for Z, or as a generalisation of a refinement calculus (with a novel semantics). In addition to the technical development we illustrate how the theory can be used in practice

Structure determination from powder data : Mogul and CASTEP

When solving the crystal structure of complex molecules from powder data, accurately locating the global minimum can be challenging, particularly where the number of internal degrees of freedom is large. The program Mogul provides a convenient means to access typical torsion angle ranges for fragments related to the molecule of interest. The impact that the application of modal torsion angle constraints has on the structure determination process of two structure solution attempts using DASH is presented. Once solved, accurate refinement of a molecular structure against powder data can also present challenges. Geometry optimisation using density functional theory in CASTEP is shown to be an effective means to locate hydrogen atom positions reliably and return a more accurate description of molecular conformation and intermolecular interactions than global optimisation and Rietveld refinement alone

Gradual Liquid Type Inference

Liquid typing provides a decidable refinement inference mechanism that is convenient but subject to two major issues: (1) inference is global and requires top-level annotations, making it unsuitable for inference of modular code components and prohibiting its applicability to library code, and (2) inference failure results in obscure error messages. These difficulties seriously hamper the migration of existing code to use refinements. This paper shows that gradual liquid type inference---a novel combination of liquid inference and gradual refinement types---addresses both issues. Gradual refinement types, which support imprecise predicates that are optimistically interpreted, can be used in argument positions to constrain liquid inference so that the global inference process e effectively infers modular specifications usable for library components. Dually, when gradual refinements appear as the result of inference, they signal an inconsistency in the use of static refinements. Because liquid refinements are drawn from a nite set of predicates, in gradual liquid type inference we can enumerate the safe concretizations of each imprecise refinement, i.e. the static refinements that justify why a program is gradually well-typed. This enumeration is useful for static liquid type error explanation, since the safe concretizations exhibit all the potential inconsistencies that lead to static type errors. We develop the theory of gradual liquid type inference and explore its pragmatics in the setting of Liquid Haskell.Comment: To appear at OOPSLA 201

Pointfree factorization of operation refinement

The standard operation refinement ordering is a kind of “meet of op- posites”: non-determinism reduction suggests “smaller” behaviour while increase of definition suggests “larger” behaviour. Groves’ factorization of this ordering into two simpler relations, one per refinement concern, makes it more mathe- matically tractable but is far from fully exploited in the literature. We present a pointfree theory for this factorization which is more agile and calculational than the standard set-theoretic approach. In particular, we show that factorization leads to a simple proof of structural refinement for arbitrary parametric types and ex- ploit factor instantiation across different subclasses of (relational) operation. The prospect of generalizing the factorization to coalgebraic refinement is discussedFundação para a Ciência e a Tecnologia (FCT) - PURE Project (Program Understanding and Re-engineering: Calculi and Applications), contract POSI/ICHS/44304/2002