Semiclassical methods can now explain many mesoscopic effects (shot-noise, conductance fluctuations, etc) in clean chaotic systems, such as chaotic quantum dots. In the deep classical limit (wavelength much less than system size) the Ehrenfest time (
the time for a wavepacket to spread to a classical size) plays a crucial role, and random matrix theory (RMT) ceases to apply to the transport properties of open chaotic systems. Here we summarize some of our recent results for shot-noise (intrinsically quantum noise in the current through the system) in this deep classical limit. For systems with perfect coupling to the leads, we use a phase-space basis on the leads to show that the transmission eigenvalues are all 0 or 1 -- so transmission is noiseless [Whitney-Jacquod, Phys. Rev. Lett. 94, 116801 (2005), Jacquod-Whitney, Phys. Rev. B 73, 195115 (2006)]. For systems with tunnel-barriers on the leads we use trajectory-based semiclassics to extract universal (but non-RMT) shot-noise results for the classical regime [Whitney, Phys. Rev. B 75, 235404 (2007)].
We provide a full characterization of the oblique projector $U(VU)^+V$ in the general case where the range of $U$ and the null space of $V$ are not complementary subspaces. We discuss the new result in the context of constrained least squares minimization.
We provide a new characterization of mean-variance hedging strategies in a general semimartingale market. The key point is the introduction of a new probability measure $P^{star}$ which turns the dynamic asset allocation problem into a myopic one. Th
e minimal martingale measure relative to $P^{star}$ coincides with the variance-optimal martingale measure relative to the original probability measure $P$.
Temperature dependent measurements of 57Fe Mossbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area and qua
drupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ~25% on cooling from room temperature to ~100 K in the tetragonal phase and is only weakly temperature dependent at low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z-coordinate. Based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe - As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.
It is well known that Sparse PCA (Sparse Principal Component Analysis) is NP-hard to solve exactly on worst-case instances. What is the complexity of solving Sparse PCA approximately? Our contributions include: 1) a simple and efficient algorithm tha
t achieves an $n^{-1/3}$-approximation; 2) NP-hardness of approximation to within $(1-varepsilon)$, for some small constant $varepsilon > 0$; 3) SSE-hardness of approximation to within any constant factor; and 4) an $expexpleft(Omegaleft(sqrt{log log n}right)right)$ (quasi-quasi-polynomial) gap for the standard semidefinite program.
Given a similarity graph between items, correlation clustering (CC) groups similar items together and dissimilar ones apart. One of the most popular CC algorithms is KwikCluster: an algorithm that serially clusters neighborhoods of vertices, and obta
ins a 3-approximation ratio. Unfortunately, KwikCluster in practice requires a large number of clustering rounds, a potential bottleneck for large graphs. We present C4 and ClusterWild!, two algorithms for parallel correlation clustering that run in a polylogarithmic number of rounds and achieve nearly linear speedups, provably. C4 uses concurrency control to enforce serializability of a parallel clustering process, and guarantees a 3-approximation ratio. ClusterWild! is a coordination free algorithm that abandons consistency for the benefit of better scaling; this leads to a provably small loss in the 3-approximation ratio. We provide extensive experimental results for both algorithms, where we outperform the state of the art, both in terms of clustering accuracy and running time. We show that our algorithms can cluster billion-edge graphs in under 5 seconds on 32 cores, while achieving a 15x speedup.
We analyze the low energy properties of a device with $N+1$ quantum dots in a star configuration. A central quantum dot is tunnel coupled to source and drain electrodes and to $N$ quantum dots. Extending previous results for the $N=2$ case we show th
at, in the appropriate parameter regime, the low energy Hamiltonian of the system is a ferromagnetic Kondo model for a $S=(N-1)/2$ impurity spin. For small enough interdot tunnel coupling, however, a two-stage Kondo effect takes place as the temperature is decreased. The spin $1/2$ in the central quantum dot is Kondo screened first and at lower temperatures the antiferromagnetic coupling to the side coupled quantum dots leads to an underscreened $S=N/2$ Kondo effect. We present numerical results for the thermodynamic and spectral properties of the system which show a singular behavior at low temperatures and allow to characterize the different strongly correlated regimes of the device.
Let $mathcal{I} subset mathbb{N}$ be an infinite subset, and let ${a_i}_{i in mathcal{I}}$ be a sequence of nonzero real numbers indexed by $mathcal{I}$ such that there exist positive constants $m, C_1$ for which $|a_i| leq C_1 cdot i^m$ for all $i i
n mathcal{I}$. Furthermore, let $c_i in [-1,1]$ be defined by $c_i = frac{a_i}{C_1 cdot i^m}$ for each $i in mathcal{I}$, and suppose the $c_i$s are equidistributed in $[-1,1]$ with respect to a continuous, symmetric probability measure $mu$. In this paper, we show that if $mathcal{I} subset mathbb{N}$ is not too sparse, then the sequence ${a_i}_{i in mathcal{I}}$ fails to obey Benfords Law with respect to arithmetic density in any sufficiently large base, and in fact in any base when $mu([0,t])$ is a strictly convex function of $t in (0,1)$. Nonetheless, we also provide conditions on the density of $mathcal{I} subset mathbb{N}$ under which the sequence ${a_i}_{i in mathcal{I}}$ satisfies Benfords Law with respect to logarithmic density in every base. As an application, we apply our general result to study Benfords Law-type behavior in the leading digits of Frobenius traces of newforms of positive, even weight. Our methods of proof build on the work of Jameson, Thorner, and Ye, who studied the particular case of newforms without complex multiplication.
The Constraint Satisfaction Problem (CSP) is a central and generic computational problem which provides a common framework for many theoretical and practical applications. A central line of research is concerned with the identification of classes of
instances for which CSP can be solved in polynomial time; such classes are often called islands of tractability. A prominent way of defining islands of tractability for CSP is to restrict the relations that may occur in the constraints to a fixed set, called a constraint language, whereas a constraint language is conservative if it contains all unary relations. This paper addresses the general limit of the mentioned tractability results for CSP and #CSP, that they only apply to instances where all constraints belong to a single tractable language (in general, the union of two tractable languages isnt tractable). We show that we can overcome this limitation as long as we keep some control of how constraints over the various considered tractable languages interact with each other. For this purpose we utilize the notion of a emph{strong backdoor} of a CSP instance, as introduced by Williams et al. (IJCAI 2003), which is a set of variables that when instantiated moves the instance to an island of tractability, i.e., to a tractable class of instances. In this paper, we consider strong backdoors into emph{scattered classes}, consisting of CSP instances where each connected component belongs entirely to some class from a list of tractable classes. Our main result is an algorithm that, given a CSP instance with $n$ variables, finds in time $f(k)n^{O(1)}$ a strong backdoor into a scattered class (associated with a list of finite conservative constraint languages) of size $k$ or correctly decides that there isnt such a backdoor.
Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular polarization to be underestimated, and hence intermolecular interactio
n energies are also underestimated, especially for intermolecular interactions involving charged species. In this work, the third-order self-consistent charge density functional tight-binding method (DFTB3) is augmented with an auxiliary response density using the chemical-potential equalization (CPE) method and an empirical dispersion correction (D3). The parameters in the CPE and D3 models are fitted to high-level CCSD(T) reference interaction energies for a broad range of chemical species, as well as dipole moments calculated at the DFT level; the impact of including polarizabilities of molecules in the parameterization is also considered. Parameters for the elements H, C, N, O and S are presented. The RMSD interaction energy is improved from 6.07 kcal/mol to 1.49 kcal/mol for interactions with one charged specie, whereas the RMSD is improved from 5.60 kcal/mol to 1.73 for a set of 9 salt bridges, compared to uncorrected DFTB3. For large water clusters and complexes that are dominated by dispersion interactions, the already satisfactory performance of the DFTB3-D3 model is retained; polarizabilities of neutral molecules are also notably improved. Overall, the CPE extension of DFTB3-D3 provides a more balanced description of different types of non-covalent interactions than NDDO type of semi-empirical methods (e.g., PM6-D3H4) and PBE-D3 with modest basis sets.
