Multi-reference Framework Research Articles

Thermal Infrared Video Stabilization for Aerial Monitoring of Active Wildfires

Measuring wildland fire behavior is essential for fire science and fire management. Aerial thermal infrared (TIR) imaging provides outstanding opportunities to acquire such information remotely. Variables such as fire rate of spread (ROS), fire radiative power (FRP), and fireline intensity may be measured explicitly both in time and space, providing the necessary data to study the response of fire behavior to weather, vegetation, topography, and firefighting efforts. However, raw TIR imagery acquired by unmanned aerial vehicles (UAVs) requires stabilization and georeferencing before any other processing can be performed. Aerial video usually suffers from instabilities produced by sensor movement. This problem is especially acute near an active wildfire due to fire-generated turbulence. Furthermore, the nature of fire TIR video presents some specific challenges that hinder robust interframe registration. Therefore, this article presents a software-based video stabilization algorithm specifically designed for TIR imagery of forest fires. After a comparative analysis of existing image registration algorithms, the KAZE feature-matching method was selected and accompanied by pre- and postprocessing modules. These included foreground histogram equalization and a multireference framework designed to increase the algorithm's robustness in the presence of missing or faulty frames. The performance of the proposed algorithm was validated in a total of nine video sequences acquired during field fire experiments. The proposed algorithm yielded a registration accuracy between 10 and 1000× higher than other tested methods, returned 10× more meaningful feature matches, and proved robust in the presence of faulty video frames. The ability to automatically cancel camera movement for every frame in a video sequence solves a key limitation in data processing pipelines and opens the door to a number of systematic fire behavior experimental analyses. Moreover, a completely automated process supports the development of decision support tools that can operate in real time during an emergency.

Parametric Study and Simulation of Horizontal Split Casing Pump by using Computational Fluid Dynamics

The pump requirement is required to meet the specified performance parameters means the required pressure (head) and flow, using less power. For water pump applications, periodic maintenance is required to check worn parts such as wear ring, shaft sleeves. In such a case the direct separation case pumps are reliable. If a given work point can meet the range of pumps of the available separate cases, it is necessary to develop a new pump and the upgraded pump should be more efficient with the considered power problems. With the help of computational fluid dynamics, the complex internal flow of the pump in the case of equilibrium separation can be accurately predicted, thus facilitating the construction of the pump. Simulation provides the most complete performance testing and important diagnostic details that help the engineer quickly and increase composition. As a result, the company is able to quickly create new designs such as a fully patented water pump with a patent. Pressure suction can be problematic during operation and operation of centrifugal pumps. Such pressure stimulants are traditionally investigated but quantitative analysis techniques allow these effects to be tested. Numerical analysis is done with a multi-reference framework to predict the flow field within the entire pipeline and impeller.

Numerical study on the hydrodynamic performance of the semi-spade rudder and propeller

The semi-spade rudder and KP458 propeller of the KVLCC2 (KRISO very large crude carrier) model tanker are adopted by ITTC maneuvering technical committee in the comparative study of ship maneuverability. The incompressible viscous flow around semi-spade rudder and KP458 propeller is investigated using Reynolds-averaged Navier–Stokes equations, the computational grids are generated using ICEM software, and finite volume method is employed to discretize the governing equations. Combined with turbulence model, the hydrodynamic performance of semi-spade rudder is analyzed at different rudder angles, and the result provides a reference for the estimation of the hydrodynamic characteristics of semi-spade rudder. The multi-reference framework method is employed to carry out the numerical simulation of the flow field around the propeller. The thrust and torque of propeller under different turbulence models are calculated in the simulation. The thrust coefficient curve, torque coefficient curve, and efficiency curve are present. The pressure distributions of the pressure side and suction side of propeller blades are studied at different advance coefficient. Based on the study of the hydrodynamic performance of the semi-spade rudder and propeller, the propeller–rudder interaction is simulated and analyzed at different advance coefficient.

Beta-Binomial Model for the Detection of Rare Mutations in Pooled Next-Generation Sequencing Experiments.

Against diminishing costs, next-generation sequencing (NGS) still remains expensive for studies with a large number of individuals. As cost saving, sequencing genome of pools containing multiple samples might be used. Currently, there are many software available for the detection of single-nucleotide polymorphisms (SNPs). Sensitivity and specificity depend on the model used and data analyzed, indicating that all software have space for improvement. We use beta-binomial model to detect rare mutations in untagged pooled NGS experiments. We propose a multireference framework for pooled data with ability being specific up to two patients affected by neuromuscular disorders (NMD). We assessed the results comparing with The Genome Analysis Toolkit (GATK), CRISP, SNVer, and FreeBayes. Our results show that the multireference approach applying beta-binomial model is accurate in predicting rare mutations at 0.01 fraction. Finally, we explored the concordance of mutations between the model and software, checking their involvement in any NMD-related gene. We detected seven novel SNPs, for which the functional analysis produced enriched terms related to locomotion and musculature.

Shared-memory parallelization of a local correlation multi-reference CI program

We present a shared-memory parallelization of our open-source, local correlation multi-reference framework, TigerCI. Benchmarks of the total parallel speedup show a reasonable scaling for typical modern computing system setups. The efficient use of available computing resources will extend simulations on this high level of theory into a new size regime. We demonstrate our framework using local-correlation multireference computations of alkyl-substituted dioxirane and solvated methyl nitrene as examples.

A second-order multi-reference perturbation method for molecular vibrations

We present a general multi-reference framework for treating strong correlation in vibrational structure theory, which we denote the vibrational active space self-consistent field (VASSCF) approach. Active configurations can be selected according to excitation level or the degrees of freedom involved, or both. We introduce a novel state-specific second-order multi-configurational perturbation correction that accounts for the remaining weak correlation between the vibrational modes. The resulting VASPT2 method is capable of accurately and efficiently treating strong correlation in the form of large anharmonic couplings, at the same time as correctly resolving resonances between states. These methods have been implemented in our new dynamics package DYNAMOL, which can currently treat up to four-body Hamiltonian coupling terms. We present a pilot application of the VASPT2 method to the trans isomer of formic acid. We have constructed a new analytic potential that reproduces frozen core CCSD(T)(F12*)/cc-pVDZ-F12 energies to within 0.25% RMSD over the energy range 0-15 000 cm(-1). The computed VASPT2 fundamental transition energies are accurate to within 9 cm(-1) RMSD from experimental values, which is close to the accuracy one can expect from a CCSD(T) potential energy surface.

Electronic transition dipole moments and dipole oscillator strengths within Fock-space multi-reference coupled cluster framework: An efficient and novel approach

Within the Fock-space multi-reference coupled cluster framework, we have evaluated the electronic transition dipole moments, which determine absorption intensities. These depend on matrix elements between two different wave functions (e.g., ground state to the excited state). We present two different ways, to calculate these transition moments. In the first method, we construct the ground and excited state wave functions with the normal exponential ansatz of Fock-space coupled cluster method and then calculate the relevant off-diagonal matrix elements. In the second approach, we linearize the exponential form of the wave operator which will generate the left vector, by use of Lagrangian formulation. The right vector is obtained from the exponential ansatz. In order to relate the transition moments to oscillator strengths, excitation energies need to be evaluated. The excitation energies are obtained from the Fock-space multi-reference framework. The transition dipole moments of the ground to a few excited states, together with the oscillator strengths of a few molecules, are presented.

Unitary perturbation theory applied to multiconfigurational reference functions

AbstractUnitary parametrization of the wave operator in the form suggested by Mayer is studied in the multireference framework. The investigated unitary perturbation theory (UPT) constructs a first correction in terms of the functions having nonzero interaction with the reference state via the Hamiltonian. Parameters in the exponential of the wave operator are determined by two dimensional eigenvalue equations. Because of the unitary mapping, UPT is unaffected by the quasi‐degeneracy problem, making it an ideal tool for correcting multireference starting functions. Lack of size‐consistency is however a shortcoming of the method. Applications of UPT as well as the related degeneracy‐corrected PT (DCPT) are presented on intruder prone examples like the symmetric dissociation of the water molecule, the BeH2 system and the two lowest lying states of the scandium dimer. Size consistency violation is analysed and evaluated on the example of the water dimer. Tractability of excited states by UPT is examined by computing the singlet–triplet splitting of the CH2 molecule. © 2012 Wiley Periodicals, Inc.

Assignment of the UV—photoelectron and low energy electronic spectrum of cycloocta-1,3,5,7-tetraene

A series of ab initio configuration interaction studies in a multi-reference framework has been applied to the cyclooctatetraene system in its equilibrium structure. The UV-photoelectron spectrum is reassigned using a CI basis which includes shake-up states in the reference set. The selection of shake-up states is determined by calculation of the lower states of the singlet and triplet manifolds, which are also discussed.