30 research outputs found
Density-Matrix functional theory of strongly-correlated lattice fermions
A density functional theory (DFT) of lattice fermion models is presented,
which uses the single-particle density matrix gamma_{ij} as basic variable. A
simple, explicit approximation to the interaction-energy functional W[gamma] of
the Hubbard model is derived from exact dimer results, scaling properties of
W[gamma] and known limits. Systematic tests on the one-dimensional chain show a
remarkable agreement with theBethe-Ansatz exact solution for all interaction
regimes and band fillings. New results are obtained for the ground-state
energyand charge-excitation gap in two dimensions. A successful description of
strong electron correlations within DFT is achieved.Comment: 15 pages, 6 figures Submitted to PR
Equilibrium and dynamical properties of the ANNNI chain at the multiphase point
We study the equilibrium and dynamical properties of the ANNNI (axial
next-nearest-neighbor Ising) chain at the multiphase point. An interesting
property of the system is the macroscopic degeneracy of the ground state
leading to finite zero-temperature entropy. In our equilibrium study we
consider the effect of softening the spins. We show that the degeneracy of the
ground state is lifted and there is a qualitative change in the low temperature
behaviour of the system with a well defined low temperature peak of the
specific heat that carries the thermodynamic ``weight'' of the ground state
entropy. In our study of the dynamical properties, the stochastic Kawasaki
dynamics is considered. The Fokker-Planck operator for the process corresponds
to a quantum spin Hamiltonian similar to the Heisenberg ferromagnet but with
constraints on allowed states. This leads to a number of differences in its
properties which are obtained through exact numerical diagonalization,
simulations and by obtaining various analytic bounds.Comment: 9 pages, RevTex, 6 figures (To appear in Phys. Rev. E
Two ways to solve ASEP
The purpose of this article is to describe the two approaches to compute
exact formulas (which are amenable to asymptotic analysis) for the probability
distribution of the current of particles past a given site in the asymmetric
simple exclusion process (ASEP) with step initial data. The first approach is
via a variant of the coordinate Bethe ansatz and was developed in work of Tracy
and Widom in 2008-2009, while the second approach is via a rigorous version of
the replica trick and was developed in work of Borodin, Sasamoto and the author
in 2012.Comment: 10 pages, Chapter in "Topics in percolative and disordered systems
Interaction energy functional for lattice density functional theory: Applications to one-, two- and three-dimensional Hubbard models
The Hubbard model is investigated in the framework of lattice density
functional theory (LDFT). The single-particle density matrix with
respect the lattice sites is considered as the basic variable of the many-body
problem. A new approximation to the interaction-energy functional
is proposed which is based on its scaling properties and which recovers exactly
the limit of strong electron correlations at half-band filling. In this way, a
more accurate description of is obtained throughout the domain of
representability of , including the crossover from weak to strong
correlations. As examples of applications results are given for the
ground-state energy, charge-excitation gap, and charge susceptibility of the
Hubbard model in one-, two-, and three-dimensional lattices. The performance of
the method is demonstrated by comparison with available exact solutions, with
numerical calculations, and with LDFT using a simpler dimer ansatz for .
Goals and limitations of the different approximations are discussed.Comment: 25 pages and 8 figures, submitted to Phys. Rev.
Baxterization, dynamical systems, and the symmetries of integrability
We resolve the `baxterization' problem with the help of the automorphism
group of the Yang-Baxter (resp. star-triangle, tetrahedron, \dots) equations.
This infinite group of symmetries is realized as a non-linear (birational)
Coxeter group acting on matrices, and exists as such, {\em beyond the narrow
context of strict integrability}. It yields among other things an unexpected
elliptic parametrization of the non-integrable sixteen-vertex model. It
provides us with a class of discrete dynamical systems, and we address some
related problems, such as characterizing the complexity of iterations.Comment: 25 pages, Latex file (epsf style). WARNING: Postscript figures are
BIG (600kB compressed, 4.3MB uncompressed). If necessary request hardcopy to
[email protected] and give your postal mail addres
Thermal Density Functional Theory in Context
This chapter introduces thermal density functional theory, starting from the
ground-state theory and assuming a background in quantum mechanics and
statistical mechanics. We review the foundations of density functional theory
(DFT) by illustrating some of its key reformulations. The basics of DFT for
thermal ensembles are explained in this context, as are tools useful for
analysis and development of approximations. We close by discussing some key
ideas relating thermal DFT and the ground state. This review emphasizes thermal
DFT's strengths as a consistent and general framework.Comment: Submitted to Spring Verlag as chapter in "Computational Challenges in
Warm Dense Matter", F. Graziani et al. ed
Differences between unipolar mania and bipolar-I disorder: Evidence from nine epidemiological studies.
Although clinical evidence suggests important differences between unipolar mania and bipolar-I disorder (BP-I), epidemiological data are limited. Combining data from nine population-based studies, we compared subjects with mania (M) or mania with mild depression (Md) to those with BP-I with both manic and depressive episodes with respect to demographic and clinical characteristics in order to highlight differences.
Participants were compared for gender, age, age at onset of mania, psychiatric comorbidity, temperament, and family history of mental disorders. Generalized linear mixed models with adjustment for sex and age as well as for each study source were applied. Analyses were performed for the pooled adult and adolescent samples, separately.
Within the included cohorts, 109 adults and 195 adolescents were diagnosed with M/Md and 323 adults and 182 adolescents with BP-I. In both adult and adolescent samples, there was a male preponderance in M/Md, whereas lifetime generalized anxiety and/panic disorders and suicide attempts were less common in M/Md than in BP-I. Furthermore, adults with mania revealed bulimia/binge eating and drug use disorders less frequently than those with BP-I.
The significant differences found in gender and comorbidity between mania and BP-I suggest that unipolar mania, despite its low prevalence, should be established as a separate diagnosis both for clinical and research purposes. In clinical settings, the rarer occurrence of suicide attempts, anxiety, and drug use disorders among individuals with unipolar mania may facilitate successful treatment of the disorder and lead to a more favorable course than that of BP-I disorder
Computing linkage disequilibrium aware genome embeddings using autoencoders
Motivation
The completion of the genome has paved the way for genome-wide association studies (GWAS), which explained certain proportions of heritability. GWAS are not optimally suited to detect non-linear effects in disease risk, possibly hidden in non-additive interactions (epistasis). Alternative methods for epistasis detection using, e.g. deep neural networks (DNNs) are currently under active development. However, DNNs are constrained by finite computational resources, which can be rapidly depleted due to increasing complexity with the sheer size of the genome. Besides, the curse of dimensionality complicates the task of capturing meaningful genetic patterns for DNNs; therefore necessitates dimensionality reduction.
Results
We propose a method to compress single nucleotide polymorphism (SNP) data, while leveraging the linkage disequilibrium (LD) structure and preserving potential epistasis. This method involves clustering correlated SNPs into haplotype blocks and training per-block autoencoders to learn a compressed representation of the block’s genetic content. We provide an adjustable autoencoder design to accommodate diverse blocks and bypass extensive hyperparameter tuning. We applied this method to genotyping data from Project MinE, and achieved 99% average test reconstruction accuracy—i.e. minimal information loss—while compressing the input to nearly 10% of the original size. We demonstrate that haplotype-block based autoencoders outperform linear Principal Component Analysis (PCA) by approximately 3% chromosome-wide accuracy of reconstructed variants. To the extent of our knowledge, our approach is the first to simultaneously leverage haplotype structure and DNNs for dimensionality reduction of genetic data
Genetic insights into resting heart rate and its role in cardiovascular disease.
Resting heart rate is associated with cardiovascular diseases and mortality in observational and Mendelian randomization studies. The aims of this study are to extend the number of resting heart rate associated genetic variants and to obtain further insights in resting heart rate biology and its clinical consequences. A genome-wide meta-analysis of 100 studies in up to 835,465 individuals reveals 493 independent genetic variants in 352 loci, including 68 genetic variants outside previously identified resting heart rate associated loci. We prioritize 670 genes and in silico annotations point to their enrichment in cardiomyocytes and provide insights in their ECG signature. Two-sample Mendelian randomization analyses indicate that higher genetically predicted resting heart rate increases risk of dilated cardiomyopathy, but decreases risk of developing atrial fibrillation, ischemic stroke, and cardio-embolic stroke. We do not find evidence for a linear or non-linear genetic association between resting heart rate and all-cause mortality in contrast to our previous Mendelian randomization study. Systematic alteration of key differences between the current and previous Mendelian randomization study indicates that the most likely cause of the discrepancy between these studies arises from false positive findings in previous one-sample MR analyses caused by weak-instrument bias at lower P-value thresholds. The results extend our understanding of resting heart rate biology and give additional insights in its role in cardiovascular disease development
Associations of autozygosity with a broad range of human phenotypes
In many species, the offspring of related parents suffer reduced reproductive success, a phenomenon known as inbreeding depression. In humans, the importance of this effect has remained unclear, partly because reproduction between close relatives is both rare and frequently associated with confounding social factors. Here, using genomic inbreeding coefficients (FROH) for >1.4 million individuals, we show that FROH is significantly associated (p < 0.0005) with apparently deleterious changes in 32 out of 100 traits analysed. These changes are associated with runs of homozygosity (ROH), but not with common variant homozygosity, suggesting that genetic variants associated with inbreeding depression are predominantly rare. The effect on fertility is striking: FROH equivalent to the offspring of first cousins is associated with a 55% decrease [95% CI 44–66%] in the odds of having children. Finally, the effects of FROH are confirmed within full-sibling pairs, where the variation in FROH is independent of all environmental confounding