6,959 research outputs found
High Dimensional Classification with combined Adaptive Sparse PLS and Logistic Regression
Motivation: The high dimensionality of genomic data calls for the development
of specific classification methodologies, especially to prevent over-optimistic
predictions. This challenge can be tackled by compression and variable
selection, which combined constitute a powerful framework for classification,
as well as data visualization and interpretation. However, current proposed
combinations lead to instable and non convergent methods due to inappropriate
computational frameworks. We hereby propose a stable and convergent approach
for classification in high dimensional based on sparse Partial Least Squares
(sparse PLS). Results: We start by proposing a new solution for the sparse PLS
problem that is based on proximal operators for the case of univariate
responses. Then we develop an adaptive version of the sparse PLS for
classification, which combines iterative optimization of logistic regression
and sparse PLS to ensure convergence and stability. Our results are confirmed
on synthetic and experimental data. In particular we show how crucial
convergence and stability can be when cross-validation is involved for
calibration purposes. Using gene expression data we explore the prediction of
breast cancer relapse. We also propose a multicategorial version of our method
on the prediction of cell-types based on single-cell expression data.
Availability: Our approach is implemented in the plsgenomics R-package.Comment: 9 pages, 3 figures, 4 tables + Supplementary Materials 8 pages, 3
figures, 10 table
Pairing dynamics in particle transport
We analyze the effect of pairing on particle transport in time-dependent
theories based on the Hartree-Fock-Bogoliubov (HFB) or BCS approximations. The
equations of motion for the HFB density matrices are unique and the theory
respects the usual conservation laws defined by commutators of the conserved
quantity with the Hamiltonian. In contrast, the theories based on the BCS
approximation are more problematic. In the usual formulation of TDHF+BCS, the
equation of continuity is violated and one sees unphysical oscillations in
particle densities. This can be ameliorated by freezing the occupation numbers
during the evolution in TDHF+BCS, but there are other problems with the BCS
that make it doubtful for reaction dynamics. We also compare different
numerical implementations of the time-dependent HFB equations. The equations of
motion for the and Bogoliubov transformations are not unique, but it
appears that the usual formulation is also the most efficient. Finally, we
compare the time-dependent HFB solutions with numerically exact solutions of
the two-particle Schrodinger equation. Depending on the treatment of the
initial state, the HFB dynamics produces a particle emission rate at short
times similar to that of the Schrodinger equation. At long times, the total
particle emission can be quite different, due to inherent mean-field
approximation of the HFB theory.Comment: 11 pages, 9 figure
Magnetic hyperthermia in single-domain monodisperse FeCo nanoparticles: Evidences for Stoner-Wohlfarth behaviour and large losses
We report on hyperthermia measurements on a colloidal solution of 15 nm
monodisperse FeCo nanoparticles (NPs). Losses as a function of the magnetic
field display a sharp increase followed by a plateau, which is what is expected
for losses of ferromagnetic single-domain NPs. The frequency dependence of the
coercive field is deduced from hyperthermia measurement and is in quantitative
agreement with a simple model of non-interacting NPs. The measured losses (1.5
mJ/g) compare to the highest of the literature, though the saturation
magnetization of the NPs is well below the bulk one.Comment: 14 pages, 3 figure
Transport Model Simulations of Projectile Fragmentation Reactions at 140 MeV/nucleon
The collisions in four different reaction systems using Ca and
Ni isotope beams and a Be target have been simulated using the Heavy
Ion Phase Space Exploration and the Antisymmetrized Molecular Dynamics models.
The present study mainly focuses on the model predictions for the excitation
energies of the hot fragments and the cross sections of the final fragments
produced in these reactions. The effects of various factors influencing the
final fragment cross sections, such as the choice of the statistical decay code
and its parameters have been explored. The predicted fragment cross sections
are compared to the projectile fragmentation cross sections measured with the
A1900 mass separator. At MeV, reaction dynamics can significantly
modify the detection efficiencies for the fragments and make them different
from the efficiencies applied to the measured data reported in the previous
work. The effects of efficiency corrections on the validation of event
generator codes are discussed in the context of the two models.Comment: 28 pages, 13 figure
Description of Pairing correlation in Many-Body finite systems with density functional theory
Different steps leading to the new functional for pairing based on natural
orbitals and occupancies proposed in ref. [D. Lacroix and G. Hupin,
arXiv:1003.2860] are carefully analyzed. Properties of quasi-particle states
projected onto good particle number are first reviewed. These properties are
used (i) to prove the existence of such a functional (ii) to provide an
explicit functional through a 1/N expansion starting from the BCS approach
(iii) to give a compact form of the functional summing up all orders in the
expansion. The functional is benchmarked in the case of the picked fence
pairing Hamiltonian where even and odd systems, using blocking technique are
studied, at various particle number and coupling strength, with uniform and
random single-particle level spacing. In all cases, a very good agreement is
found with a deviation inferior to 1% compared to the exact energy.Comment: 14 pages, 9 figure
Out of equilibrium transport through an Anderson impurity: Probing scaling laws within the equation of motion approach
We study non-equilibrium electron transport through a quantum impurity
coupled to metallic leads using the equation of motion technique at finite
temperature T. Assuming that the interactions are taking place solely in the
impurity and focusing in the infinite Hubbard limit, we compute the out of
equilibrium density of states and the differential conductance G_2(T,V) to test
several scaling laws. We find that G_2(T,V)/G_2(T,0) is a universal function of
both eV/T_K and T/T_K, being T_K the Kondo temperature. The effect of an in
plane magnetic field on the splitting of the zero bias anomaly in the
differential conductance is also analyzed. For a Zeeman splitting \Delta, the
computed differential conductance peak splitting depends only on \Delta/T_K,
and for large fields approaches the value of 2\Delta . Besides the traditional
two leads setup, we also consider other configurations that mimics recent
experiments, namely, an impurity embedded in a mesoscopic wire and the presence
of a third weakly coupled lead. In these cases, a double peak structure of the
Kondo resonance is clearly obtained in the differential conductance while the
amplitude of the highest peak is shown to decrease as \ln(eV/T_K). Several
features of these results are in qualitative agreement with recent experimental
observations reported on quantum dots.Comment: 9 pages, 7 figure
Ordering in the pyrochlore antiferromagnet due to Dzyaloshinsky-Moriya interactions
The Heisenberg nearest neighbour antiferromagnet on the pyrochlore (3D)
lattice is highly frustrated and does not order at low temperature where
spin-spin correlations remain short ranged. Dzyaloshinsky-Moriya interactions
(DMI) may be present in pyrochlore compounds as is shown, and the consequences
of such interactions on the magnetic properties are investigated through mean
field approximation and monte carlo simulations. It is found that DMI (if
present) tremendously change the low temperature behaviour of the system. At a
temperature of the order of the DMI a phase transition to a long range ordered
state takes place. The ordered magnetic structures are explicited for the
different possible DMI which are introduced on the basis of symmetry arguments.
The relevance of such a scenario for pyrochlore compounds in which an ordered
magnetic structure is observed experimentally is dicussed
Particle-Number Restoration within the Energy Density Functional Formalism
We give a detailed analysis of the origin of spurious divergences and finite
steps that have been recently identified in particle-number restoration
calculations within the nuclear energy density functional framework. We isolate
two distinct levels of spurious contributions to the energy. The first one is
encoded in the definition of the basic energy density functional itself whereas
the second one relates to the canonical procedure followed to extend the use of
the energy density functional to multi-reference calculations. The first level
of spuriosity relates to the long-known self-interaction problem and to the
newly discussed self-pairing interaction process which might appear when
describing paired systems with energy functional methods using auxiliary
reference states of Bogoliubov or BCS type. A minimal correction to the second
level of spuriosity to the multi-reference nuclear energy density functional
proposed in [D. Lacroix, T. Duguet, M. Bender, arXiv:0809.2041] is shown to
remove completely the anomalies encountered in particle-number restored
calculations. In particular, it restores sum-rules over (positive) particle
numbers that are to be fulfilled by the particle-number-restored formalism. The
correction is found to be on the order of several hundreds of keVs up to about
1 MeV in realistic calculations, which is small compared to the total binding
energy, but often accounts for a substantial percentage of the energy gain from
particle-number restoration and is on the same energy scale as the excitations
one addresses with multi-reference energy density functional methods.Comment: 37 pages, 14 figures, accepted for publication in PR
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