The relation between formal potential and structure of indophenols and molecular mechnism of electrooxidation

The molecular structural parameters of indophenol and its derivatives were calculated by semi-empirical molecular orbital quantum chemical method,The relation between molecular structural parameters and formal potentials was analyzed by principal factor analysis and multiple Linear regression method. It was found that the formal potential of indophenols has a good relation with two-center electron exchange energy, E-ex (2), resonance energy of O-C bond, E-ex (C-1-O), and molecular ionization potential, I-p, among 19 moleclular structural parameters. The regression equation is E-0' = 1. 47 x 10 (-3) E-ex (two) - 5. 74 x 10 (-2) E-ex (C-1 - O) - 1. 41 x 10 (-2) I-p with RC = 0. 9999 and SD = 0. 00424. It was confirmed by the relation between structure parameters and formal potentials, and the thermodynamic stability of its intermediate products that the H (+) ionization is prior to the electron transfer step in the oxidation mechanism.

Motivated Action Theory: A Formal Theory of Causal Reasoning

When we reason about change over time, causation provides an implicit preference: we prefer sequences of situations in which one situation leads causally to the next, rather than sequences in which one situation follows another at random and without causal connections. In this paper, we explore the problem of temporal reasoning --- reasoning about change over time --- and the crucial role that causation plays in our intuitions. We examine previous approaches to temporal reasoning, and their shortcomings, in light of this analysis. We propose a new system for causal reasoning, motivated action theory, which builds upon causation as a crucial preference creterion. Motivated action theory solves the traditional problems of both forward and backward reasoning, and additionally provides a basis for a new theory of explanation.

Formalizing Triggers: A Learning Model for Finite Spaces

In a recent seminal paper, Gibson and Wexler (1993) take important steps to formalizing the notion of language learning in a (finite) space whose grammars are characterized by a finite number of parameters. They introduce the Triggering Learning Algorithm (TLA) and show that even in finite space convergence may be a problem due to local maxima. In this paper we explicitly formalize learning in finite parameter space as a Markov structure whose states are parameter settings. We show that this captures the dynamics of TLA completely and allows us to explicitly compute the rates of convergence for TLA and other variants of TLA e.g. random walk. Also included in the paper are a corrected version of GW's central convergence proof, a list of "problem states" in addition to local maxima, and batch and PAC-style learning bounds for the model.

Relation algebra operations on formal contexts.

This paper discusses the use of relation algebra operations on formal contexts. These operations are a generalisation of some of the context operations that are described in the standard FCA textbook (Ganter & Wille, 1999). This paper extends previous research in this area with respect to applications and implementations. It also describes a software tool (FcaFlint) which in combination with FcaStone facilitates the application of relation algebra operations to contexts stored in many formats.

From Limen to Lumen: computing students in liminal spaces.From Limen to Lumen: computing students in liminal spaces

Eckerdal, A., McCartney, R., Mostr?m, J. E., Sanders, K., Thomas, L., and Zander, C. 2007. From Limen to Lumen: computing students in liminal spaces. In Proceedings of the Third international Workshop on Computing Education Research (Atlanta, Georgia, USA, September 15 - 16, 2007). ICER '07. ACM, New York, NY, 123-132.

Criminalidade, Insegurança e Controlo Social Formal

Dissertação apresentada à Universidade Fernando Pessoa, como parte dos requisitos necessários para a obtenção do grau Mestre em Criminologia

Systematic Verification of Safety Properties of Arbitrary Network Protocol Compositions Using CHAIN

Formal correctness of complex multi-party network protocols can be difficult to verify. While models of specific fixed compositions of agents can be checked against design constraints, protocols which lend themselves to arbitrarily many compositions of agents-such as the chaining of proxies or the peering of routers-are more difficult to verify because they represent potentially infinite state spaces and may exhibit emergent behaviors which may not materialize under particular fixed compositions. We address this challenge by developing an algebraic approach that enables us to reduce arbitrary compositions of network agents into a behaviorally-equivalent (with respect to some correctness property) compact, canonical representation, which is amenable to mechanical verification. Our approach consists of an algebra and a set of property-preserving rewrite rules for the Canonical Homomorphic Abstraction of Infinite Network protocol compositions (CHAIN). Using CHAIN, an expression over our algebra (i.e., a set of configurations of network protocol agents) can be reduced to another behaviorally-equivalent expression (i.e., a smaller set of configurations). Repeated applications of such rewrite rules produces a canonical expression which can be checked mechanically. We demonstrate our approach by characterizing deadlock-prone configurations of HTTP agents, as well as establishing useful properties of an overlay protocol for scheduling MPEG frames, and of a protocol for Web intra-cache consistency.

Lightweight Formal Methods for the Development of High-Assurance Networking Systems

We survey several of the research efforts pursued by the iBench and snBench projects in the CS Department at Boston University over the last half dozen years. These activities use ideas and methodologies inspired by recent developments in other parts of computer science -- particularly in formal methods and in the foundations of programming languages -- but now specifically applied to the certification of safety-critical networking systems. This is research jointly led by Azer Bestavros and Assaf Kfoury with the participation of Adam Bradley, Andrei Lapets, and Michael Ocean.

Improving the Accessibility of Lightweight Formal Verification Systems

In research areas involving mathematical rigor, there are numerous benefits to adopting a formal representation of models and arguments: reusability, automatic evaluation of examples, and verification of consistency and correctness. However, broad accessibility has not been a priority in the design of formal verification tools that can provide these benefits. We propose a few design criteria to address these issues: a simple, familiar, and conventional concrete syntax that is independent of any environment, application, or verification strategy, and the possibility of reducing workload and entry costs by employing features selectively. We demonstrate the feasibility of satisfying such criteria by presenting our own formal representation and verification system. Our system’s concrete syntax overlaps with English, LATEX and MediaWiki markup wherever possible, and its verifier relies on heuristic search techniques that make the formal authoring process more manageable and consistent with prevailing practices. We employ techniques and algorithms that ensure a simple, uniform, and flexible definition and design for the system, so that it easy to augment, extend, and improve.

Safe Compositional Network Sketches: The Formal Framework

NetSketch is a tool for the specification of constrained-flow applications and the certification of desirable safety properties imposed thereon. NetSketch is conceived to assist system integrators in two types of activities: modeling and design. As a modeling tool, it enables the abstraction of an existing system while retaining sufficient information about it to carry out future analysis of safety properties. As a design tool, NetSketch enables the exploration of alternative safe designs as well as the identification of minimal requirements for outsourced subsystems. NetSketch embodies a lightweight formal verification philosophy, whereby the power (but not the heavy machinery) of a rigorous formalism is made accessible to users via a friendly interface. NetSketch does so by exposing tradeoffs between exactness of analysis and scalability, and by combining traditional whole-system analysis with a more flexible compositional analysis. The compositional analysis is based on a strongly-typed Domain-Specific Language (DSL) for describing and reasoning about constrained-flow networks at various levels of sketchiness along with invariants that need to be enforced thereupon. In this paper, we define the formal system underlying the operation of NetSketch, in particular the DSL behind NetSketch's user-interface when used in "sketch mode", and prove its soundness relative to appropriately-defined notions of validity. In a companion paper [6], we overview NetSketch, highlight its salient features, and illustrate how it could be used in two applications: the management/shaping of traffic flows in a vehicular network (as a proxy for CPS applications) and in a streaming media network (as a proxy for Internet applications).

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.

Efficient Support for Common Relations in Lightweight Formal Reasoning Systems

In work that involves mathematical rigor, there are numerous benefits to adopting a representation of models and arguments that can be supplied to a formal reasoning or verification system: reusability, automatic evaluation of examples, and verification of consistency and correctness. However, accessibility has not been a priority in the design of formal verification tools that can provide these benefits. In earlier work [Lap09a], 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. This work expands one aspect of the earlier work by considering more extensively an essential capability for any formal reasoning system whose design is oriented around simulating the natural context: native support for a collection of mathematical relations that deal with common constructs in arithmetic and set theory. We provide a formal definition for a context of relations that can be used to both validate and assist formal reasoning activities. We provide a proof that any algorithm that implements this formal structure faithfully will necessary converge. Finally, we consider the efficiency of an implementation of this formal structure that leverages modular implementations of well-known data structures: balanced search trees and transitive closures of hypergraphs.

A Formal Semantics for Weak References

A weak reference is a reference to an object that is not followed by the pointer tracer when garbage collection is called. That is, a weak reference cannot prevent the object it references from being garbage collected. Weak references remain a troublesome programming feature largely because there is not an accepted, precise semantics that describes their behavior (in fact, we are not aware of any formalization of their semantics). The trouble is that weak references allow reachable objects to be garbage collected, therefore allowing garbage collection to influence the result of a program. Despite this difficulty, weak references continue to be used in practice for reasons related to efficient storage management, and are included in many popular programming languages (Standard ML, Haskell, OCaml, and Java). We give a formal semantics for a calculus called λweak that includes weak references and is derived from Morrisett, Felleisen, and Harper’s λgc. λgc formalizes the notion of garbage collection by means of a rewrite rule. Such a formalization is required to precisely characterize the semantics of weak references. However, the inclusion of a garbage-collection rewrite-rule in a language with weak references introduces non-deterministic evaluation, even if the parameter-passing mechanism is deterministic (call-by-value in our case). This raises the question of confluence for our rewrite system. We discuss natural restrictions under which our rewrite system is confluent, thus guaranteeing uniqueness of program result. We define conditions that allow other garbage collection algorithms to co-exist with our semantics of weak references. We also introduce a polymorphic type system to prove the absence of erroneous program behavior (i.e., the absence of “stuck evaluation”) and a corresponding type inference algorithm. We prove the type system sound and the inference algorithm sound and complete.

Bayesian variable selection in structured high-dimensional covariate spaces with applications in genomics

We consider the problem of variable selection in regression modeling in high-dimensional spaces where there is known structure among the covariates. This is an unconventional variable selection problem for two reasons: (1) The dimension of the covariate space is comparable, and often much larger, than the number of subjects in the study, and (2) the covariate space is highly structured, and in some cases it is desirable to incorporate this structural information in to the model building process. We approach this problem through the Bayesian variable selection framework, where we assume that the covariates lie on an undirected graph and formulate an Ising prior on the model space for incorporating structural information. Certain computational and statistical problems arise that are unique to such high-dimensional, structured settings, the most interesting being the phenomenon of phase transitions. We propose theoretical and computational schemes to mitigate these problems. We illustrate our methods on two different graph structures: the linear chain and the regular graph of degree k. Finally, we use our methods to study a specific application in genomics: the modeling of transcription factor binding sites in DNA sequences. © 2010 American Statistical Association.