9,070 research outputs found
Linear-Logic Based Analysis of Constraint Handling Rules with Disjunction
Constraint Handling Rules (CHR) is a declarative committed-choice programming
language with a strong relationship to linear logic. Its generalization CHR
with Disjunction (CHRv) is a multi-paradigm declarative programming language
that allows the embedding of horn programs. We analyse the assets and the
limitations of the classical declarative semantics of CHR before we motivate
and develop a linear-logic declarative semantics for CHR and CHRv. We show how
to apply the linear-logic semantics to decide program properties and to prove
operational equivalence of CHRv programs across the boundaries of language
paradigms
Minimising biases in Full Configuration Interaction Quantum Monte Carlo
We show that Full Configuration Interaction Quantum Monte Carlo (FCIQMC) is a
Markov Chain in its present form. We construct the Markov matrix of FCIQMC for
a two determinant system and hence compute the stationary distribution. These
solutions are used to quantify the dependence of the population dynamics on the
parameters defining the Markov chain. Despite the simplicity of a system with
only two determinants, it still reveals a population control bias inherent to
the FCIQMC algorithm. We investigate the effect of simulation parameters on the
population control bias for the neon atom and suggest simulation setups to in
general minimise the bias. We show a reweighting scheme to remove the bias
caused by population control commonly used in Diffusion Monte Carlo [J. Chem.
Phys. 99, 2865 (1993)] is effective and recommend its use as a post processing
step.Comment: Supplementary material available as 'Ancillary Files
Hybrid XML Retrieval: Combining Information Retrieval and a Native XML Database
This paper investigates the impact of three approaches to XML retrieval:
using Zettair, a full-text information retrieval system; using eXist, a native
XML database; and using a hybrid system that takes full article answers from
Zettair and uses eXist to extract elements from those articles. For the
content-only topics, we undertake a preliminary analysis of the INEX 2003
relevance assessments in order to identify the types of highly relevant
document components. Further analysis identifies two complementary sub-cases of
relevance assessments ("General" and "Specific") and two categories of topics
("Broad" and "Narrow"). We develop a novel retrieval module that for a
content-only topic utilises the information from the resulting answer list of a
native XML database and dynamically determines the preferable units of
retrieval, which we call "Coherent Retrieval Elements". The results of our
experiments show that -- when each of the three systems is evaluated against
different retrieval scenarios (such as different cases of relevance
assessments, different topic categories and different choices of evaluation
metrics) -- the XML retrieval systems exhibit varying behaviour and the best
performance can be reached for different values of the retrieval parameters. In
the case of INEX 2003 relevance assessments for the content-only topics, our
newly developed hybrid XML retrieval system is substantially more effective
than either Zettair or eXist, and yields a robust and a very effective XML
retrieval.Comment: Postprint version. The editor version can be accessed through the DO
Breeding for improved responsiveness to arbuscular mycorrhizal fungi in onion
Arbuscular mycorrhizal fungi (AMF) play an important role in the uptake of nutrients and water from soil. Onions, Allium cepa L., are plants with a shallow root system. As a result, onion plants need a lot of fertiziler for their growth. Furthermore, onion plants are sensitive to drought. The aim of the current research project is to study the beneficial effect of mycorrhizal fungi on the growth and development of Allium species and to determine whether it is possible to improve onions for mycorrhizal responsiveness by means of breeding. Variation among Allium species and segregation observed in a interspecific tri-hybrid population indicate that selection and thus breeding for high responsiveness to AMF is possible
Diagrammatic Coupled Cluster Monte Carlo
We propose a modified coupled cluster Monte Carlo algorithm that
stochastically samples connected terms within the truncated
Baker--Campbell--Hausdorff expansion of the similarity transformed Hamiltonian
by construction of coupled cluster diagrams on the fly. Our new approach --
diagCCMC -- allows propagation to be performed using only the connected
components of the similarity-transformed Hamiltonian, greatly reducing the
memory cost associated with the stochastic solution of the coupled cluster
equations. We show that for perfectly local, noninteracting systems, diagCCMC
is able to represent the coupled cluster wavefunction with a memory cost that
scales linearly with system size. The favorable memory cost is observed with
the only assumption of fixed stochastic granularity and is valid for arbitrary
levels of coupled cluster theory. Significant reduction in memory cost is also
shown to smoothly appear with dissociation of a finite chain of helium atoms.
This approach is also shown not to break down in the presence of strong
correlation through the example of a stretched nitrogen molecule. Our novel
methodology moves the theoretical basis of coupled cluster Monte Carlo closer
to deterministic approaches.Comment: 31 pages, 6 figure
Open-source development experiences in scientific software: the HANDE quantum Monte Carlo project
The HANDE quantum Monte Carlo project offers accessible stochastic algorithms
for general use for scientists in the field of quantum chemistry. HANDE is an
ambitious and general high-performance code developed by a
geographically-dispersed team with a variety of backgrounds in computational
science. In the course of preparing a public, open-source release, we have
taken this opportunity to step back and look at what we have done and what we
hope to do in the future. We pay particular attention to development processes,
the approach taken to train students joining the project, and how a flat
hierarchical structure aids communicationComment: 6 pages. Submission to WSSSPE
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