4,335 research outputs found
A Deep Learning Framework for Unsupervised Affine and Deformable Image Registration
Image registration, the process of aligning two or more images, is the core
technique of many (semi-)automatic medical image analysis tasks. Recent studies
have shown that deep learning methods, notably convolutional neural networks
(ConvNets), can be used for image registration. Thus far training of ConvNets
for registration was supervised using predefined example registrations.
However, obtaining example registrations is not trivial. To circumvent the need
for predefined examples, and thereby to increase convenience of training
ConvNets for image registration, we propose the Deep Learning Image
Registration (DLIR) framework for \textit{unsupervised} affine and deformable
image registration. In the DLIR framework ConvNets are trained for image
registration by exploiting image similarity analogous to conventional
intensity-based image registration. After a ConvNet has been trained with the
DLIR framework, it can be used to register pairs of unseen images in one shot.
We propose flexible ConvNets designs for affine image registration and for
deformable image registration. By stacking multiple of these ConvNets into a
larger architecture, we are able to perform coarse-to-fine image registration.
We show for registration of cardiac cine MRI and registration of chest CT that
performance of the DLIR framework is comparable to conventional image
registration while being several orders of magnitude faster.Comment: Accepted: Medical Image Analysis - Elsevie
Intermittent permeation of cylindrical nanopores by water
Molecular Dynamics simulations of water molecules in nanometre sized
cylindrical channels connecting two reservoirs show that the permeation of
water is very sensitive to the channel radius and to electric polarization of
the embedding material. At threshold, the permeation is {\emph{intermittent}}
on a nanosecond timescale, and strongly enhanced by the presence of an ion
inside the channel, providing a possible mechanism for gating. Confined water
remains surprisingly fluid and bulk-like. Its behaviour differs strikingly from
that of a reference Lennard-Jones fluid, which tends to contract into a highly
layered structure inside the channel.Comment: 4 pages, 4 figure
Wetting and contact-line effects for spherical and cylindrical droplets on graphene layers: A comparative molecular-dynamics investigation
In Molecular Dynamics (MD) simulations, interactions between water molecules
and graphitic surfaces are often modeled as a simple Lennard-Jones potential
between oxygen and carbon atoms. A possible method for tuning this parameter
consists of simulating a water nanodroplet on a flat graphitic surface,
measuring the equilibrium contact angle, extrapolating it to the limit of a
macroscopic droplet and finally matching this quantity to experimental results.
Considering recent evidence demonstrating that the contact angle of water on a
graphitic plane is much higher than what was previously reported, we estimate
the oxygen-carbon interaction for the recent SPC/Fwwater model. Results
indicate a value of about 0.2 kJ/mol, much lower than previous estimations. We
then perform simulations of cylindrical water filaments on graphitic surfaces,
in order to compare and correlate contact angles resulting from these two
different systems. Results suggest that modified Young's equation does not
describe the relation between contact angle and drop size in the case of
extremely small systems and that contributions different from the one deriving
from contact line tension should be taken into account.Comment: To be published on Physical Review E (http://pre.aps.org/
Assessment of the validity of intermolecular potential models used in molecular dynamics simulations by extended x-ray absorption fine structure spectroscopy:A case study of Sr2+ in methanol solution
Molecular dynamics simulations have been carried out for Sr2+ in methanol using different Sr2+ Lennard-Jones parameters and methanol models. X-ray absorption fine structure. (EXAFS) spectroscopy has been employed to assess the reliability of the ion-ion and ion-methanol potential functions used in the simulations. Radial distribution functions of Sr2+ in methanol have been. calculated for each simulation and compared with the EXAFS experimental data. This procedure has allowed the determinations of reliable Sr2+-methanol models which have been used in longer simulations providing an accurate description of the dynamic and structural properties of this system
Formation energy and interaction of point defects in two-dimensional colloidal crystals
The manipulation of individual colloidal particles using optical tweezers has
allowed vacancies to be created in two-dimensional (2d) colloidal crystals,
with unprecedented possibility of real-time monitoring the dynamics of such
defects (Nature {\bf 413}, 147 (2001)). In this Letter, we employ molecular
dynamics (MD) simulations to calculate the formation energy of single defects
and the binding energy between pairs of defects in a 2d colloidal crystal. In
the light of our results, experimental observations of vacancies could be
explained and then compared to simulation results for the interstitial defects.
We see a remarkable similarity between our results for a 2d colloidal crystal
and the 2d Wigner crystal (Phys. Rev. Lett. {\bf 86}, 492 (2001)). The results
show that the formation energy to create a single interstitial is
lower than that of the vacancy. Because the pair binding energies of the
defects are strongly attractive for short distances, the ground state should
correspond to bound pairs with the interstitial bound pairs being the most
probable.Comment: 5 pages, 2 figure
Magnetic friction due to vortex fluctuation
We use Monte Carlo and molecular dynamics simulation to study a magnetic
tip-sample interaction. Our interest is to understand the mechanism of heat
dissipation when the forces involved in the system are magnetic in essence. We
consider a magnetic crystalline substrate composed of several layers
interacting magnetically with a tip. The set is put thermally in equilibrium at
temperature T by using a numerical Monte Carlo technique. By using that
configuration we study its dynamical evolution by integrating numerically the
equations of motion. Our results suggests that the heat dissipation in this
system is closed related to the appearing of vortices in the sample.Comment: 6 pages, 41 figure
Polarization forces in water deduced from single molecule data
Intermolecular polarization interactions in water are determined using a
minimal atomic multipole model constructed with distributed polarizabilities.
Hydrogen bonding and other properties of water-water interactions are
reproduced to fine detail by only three multipoles , , and
and two polarizabilities and , which
characterize a single water molecule and are deduced from single molecule data.Comment: 4 revtex pages, 3 embedded color PS figure
A Potential Energy Landscape Study of the Amorphous-Amorphous Transformation in HO
We study the potential energy landscape explored during a
compression-decompression cycle for the SPC/E (extended simple point charge)
model of water. During the cycle, the system changes from low density amorphous
ice (LDA) to high density amorphous ice (HDA). After the cycle, the system does
not return to the same region of the landscape, supporting the interesting
possibility that more than one significantly different configuration
corresponds to LDA. We find that the regions of the landscape explored during
this transition have properties remarkably different from those explored in
thermal equilibrium in the liquid phase
Webifying the computerized execution of Clinical Practice Guidelines
The means through which Clinical Practice Guidelines are dissemi-nated and become accessible are a crucial factor in their later adoption by health care professionals. Making these guidelines available in Clinical Decision Sup-port Systems renders their application more personal and thus acceptable at the moment of care. Web technologies may play an important role in increasing the reach and dissemination of guidelines, but this promise remains largely unful-filled. There is a need for a guideline computer model that can accommodate a wide variety of medical knowledge along with a platform for its execution that can be easily used in mobile devices. This work presents the CompGuide frame-work, a web-based and service-oriented platform for the execution of Computer-Interpretable Guidelines. Its architecture comprises different modules whose in-teraction enables the interpretation of clinical tasks and the verification of clinical constraints and temporal restrictions of guidelines represented in OWL. It allows remote guideline execution with data centralization, more suitable for a work en-vironment where physicians are mobile and not bound to a machine. The solution presented in this paper encompasses a computer-interpretable guideline model, a web-based framework for guideline execution and an Application Programming Interface for the development of other guideline execution systems.This work is part-funded by ERDF - European Regional Development Fund through the COMPETE Programme (operational programme for competitiveness) and by National Funds through the FCT – Fundação para a Ciência e a Tecnologia (Portuguese Foundation for Science and Technology) within project FCOMP-01-0124-FEDER-028980 (PTDC/EEI-SII/1386/2012). The work of Tiago Oliveira is supported by doctoral grant by FCT (SFRH/BD/85291/2012)
Risk scoring for the primary prevention of cardiovascular disease.
BACKGROUND: The current paradigm for cardiovascular disease (CVD) emphasises absolute risk assessment to guide treatment decisions in primary prevention. Although the derivation and validation of multivariable risk assessment tools, or CVD risk scores, have attracted considerable attention, their effect on clinical outcomes is uncertain. OBJECTIVES: To assess the effects of evaluating and providing CVD risk scores in adults without prevalent CVD on cardiovascular outcomes, risk factor levels, preventive medication prescribing, and health behaviours. SEARCH METHODS: We searched the Cochrane Central Register of Controlled Trials (CENTRAL) in the Cochrane Library (2016, Issue 2), MEDLINE Ovid (1946 to March week 1 2016), Embase (embase.com) (1974 to 15 March 2016), and Conference Proceedings Citation Index-Science (CPCI-S) (1990 to 15 March 2016). We imposed no language restrictions. We searched clinical trial registers in March 2016 and handsearched reference lists of primary studies to identify additional reports. SELECTION CRITERIA: We included randomised and quasi-randomised trials comparing the systematic provision of CVD risk scores by a clinician, healthcare professional, or healthcare system compared with usual care (i.e. no systematic provision of CVD risk scores) in adults without CVD. DATA COLLECTION AND ANALYSIS: Three review authors independently selected studies, extracted data, and evaluated study quality. We used the Cochrane 'Risk of bias' tool to assess study limitations. The primary outcomes were: CVD events, change in CVD risk factor levels (total cholesterol, systolic blood pressure, and multivariable CVD risk), and adverse events. Secondary outcomes included: lipid-lowering and antihypertensive medication prescribing in higher-risk people. We calculated risk ratios (RR) for dichotomous data and mean differences (MD) or standardised mean differences (SMD) for continuous data using 95% confidence intervals. We used a fixed-effects model when heterogeneity (I²) was at least 50% and a random-effects model for substantial heterogeneity (I² > 50%). We evaluated the quality of evidence using the GRADE framework. MAIN RESULTS: We identified 41 randomised controlled trials (RCTs) involving 194,035 participants from 6422 reports. We assessed studies as having high or unclear risk of bias across multiple domains. Low-quality evidence evidence suggests that providing CVD risk scores may have little or no effect on CVD events compared with usual care (5.4% versus 5.3%; RR 1.01, 95% confidence interval (CI) 0.95 to 1.08; I² = 25%; 3 trials, N = 99,070). Providing CVD risk scores may reduce CVD risk factor levels by a small amount compared with usual care. Providing CVD risk scores reduced total cholesterol (MD -0.10 mmol/L, 95% CI -0.20 to 0.00; I² = 94%; 12 trials, N = 20,437, low-quality evidence), systolic blood pressure (MD -2.77 mmHg, 95% CI -4.16 to -1.38; I² = 93%; 16 trials, N = 32,954, low-quality evidence), and multivariable CVD risk (SMD -0.21, 95% CI -0.39 to -0.02; I² = 94%; 9 trials, N = 9549, low-quality evidence). Providing CVD risk scores may reduce adverse events compared with usual care, but results were imprecise (1.9% versus 2.7%; RR 0.72, 95% CI 0.49 to 1.04; I² = 0%; 4 trials, N = 4630, low-quality evidence). Compared with usual care, providing CVD risk scores may increase new or intensified lipid-lowering medications (15.7% versus 10.7%; RR 1.47, 95% CI 1.15 to 1.87; I² = 40%; 11 trials, N = 14,175, low-quality evidence) and increase new or increased antihypertensive medications (17.2% versus 11.4%; RR 1.51, 95% CI 1.08 to 2.11; I² = 53%; 8 trials, N = 13,255, low-quality evidence). AUTHORS' CONCLUSIONS: There is uncertainty whether current strategies for providing CVD risk scores affect CVD events. Providing CVD risk scores may slightly reduce CVD risk factor levels and may increase preventive medication prescribing in higher-risk people without evidence of harm. There were multiple study limitations in the identified studies and substantial heterogeneity in the interventions, outcomes, and analyses, so readers should interpret results with caution. New models for implementing and evaluating CVD risk scores in adequately powered studies are needed to define the role of applying CVD risk scores in primary CVD prevention
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