Beyond Conjugacy for Chain Event Graph Model Selection

Chain event graphs are a family of probabilistic graphical models that generalise Bayesian networks and have been successfully applied to a wide range of domains. Unlike Bayesian networks, these models can encode context-specific conditional independencies as well as asymmetric developments within the evolution of a process. More recently, new model classes belonging to the chain event graph family have been developed for modelling time-to-event data to study the temporal dynamics of a process. However, existing Bayesian model selection algorithms for chain event graphs and its variants rely on all parameters having conjugate priors. This is unrealistic for many real-world applications. In this paper, we propose a mixture modelling approach to model selection in chain event graphs that does not rely on conjugacy. Moreover, we show that this methodology is more amenable to being robustly scaled than the existing model selection algorithms used for this family. We demonstrate our techniques on simulated datasets

Qubit coherence control in a nuclear spin bath

Coherent dynamics of localized spins in semiconductors is limited by spectral diffusion arising from dipolar fluctuation of lattice nuclear spins. Here we extend the semiclassical theory of spectral diffusion for nuclear spins I=1/2 to the high nuclear spins relevant to the III-V materials and show that applying successive qubit pi-rotations at a rate approximately proportional to the nuclear spin quantum number squared (I^2) provides an efficient method for coherence enhancement. Hence robust coherent manipulation in the large spin environments characteristic of the III-V compounds is possible without resorting to nuclear spin polarization, provided that the pi-pulses can be generated at intervals scaling as I^{-2}

Synthesis of (+)-Cortistatin A

Steroids have historically elicited attention from the chemical sciences owing to their utility in living systems, as well as their intrinsic and diverse beauty.1 The cortistatin family (Figure 1, 1-7 and others),2 a collection of unusual, marine 9-(10,19)-abeo-androstane steroids, is certainly no exception; aside from challenging stereochemistry and an odd bricolage of functional groups, the salient feature of these sponge metabolites is, inescapably, their biological activity. Cortistatin A, the most potent member of the small family, inhibits the proliferation of human umbilical vein endothelial cells (HUVECs, IC50) 1.8 nM), evidently with no general toxicity toward either healthy or cancerous cell lines (IC50(testing cells)/IC50(HUVECs) g 3300).2a From initial pharmacological studies, binding appears to occur reversibly, but to an unknown target, inhibiting the phosphorylation of an unidentified 110 kDa protein, and implying a pathway that may be unique to know

Efficient quantum algorithms for simulating sparse Hamiltonians

We present an efficient quantum algorithm for simulating the evolution of a sparse Hamiltonian H for a given time t in terms of a procedure for computing the matrix entries of H. In particular, when H acts on n qubits, has at most a constant number of nonzero entries in each row/column, and |H| is bounded by a constant, we may select any positive integer $k$ such that the simulation requires O((\log^*n)t^{1+1/2k}) accesses to matrix entries of H. We show that the temporal scaling cannot be significantly improved beyond this, because sublinear time scaling is not possible.Comment: 9 pages, 2 figures, substantial revision

Continuous-time quantum walks on star graphs

In this paper, we investigate continuous-time quantum walk on star graphs. It is shown that quantum central limit theorem for a continuous-time quantum walk on star graphs for $N$-fold star power graph, which are invariant under the quantum component of adjacency matrix, converges to continuous-time quantum walk on $K_2$ graphs (Complete graph with two vertices) and the probability of observing walk tends to the uniform distribution.Comment: 17, page; 4 figur

On the relationship between continuous- and discrete-time quantum walk

Quantum walk is one of the main tools for quantum algorithms. Defined by analogy to classical random walk, a quantum walk is a time-homogeneous quantum process on a graph. Both random and quantum walks can be defined either in continuous or discrete time. But whereas a continuous-time random walk can be obtained as the limit of a sequence of discrete-time random walks, the two types of quantum walk appear fundamentally different, owing to the need for extra degrees of freedom in the discrete-time case. In this article, I describe a precise correspondence between continuous- and discrete-time quantum walks on arbitrary graphs. Using this correspondence, I show that continuous-time quantum walk can be obtained as an appropriate limit of discrete-time quantum walks. The correspondence also leads to a new technique for simulating Hamiltonian dynamics, giving efficient simulations even in cases where the Hamiltonian is not sparse. The complexity of the simulation is linear in the total evolution time, an improvement over simulations based on high-order approximations of the Lie product formula. As applications, I describe a continuous-time quantum walk algorithm for element distinctness and show how to optimally simulate continuous-time query algorithms of a certain form in the conventional quantum query model. Finally, I discuss limitations of the method for simulating Hamiltonians with negative matrix elements, and present two problems that motivate attempting to circumvent these limitations.Comment: 22 pages. v2: improved presentation, new section on Hamiltonian oracles; v3: published version, with improved analysis of phase estimatio

Electron spin as a spectrometer of nuclear spin noise and other fluctuations

This chapter describes the relationship between low frequency noise and coherence decay of localized spins in semiconductors. Section 2 establishes a direct relationship between an arbitrary noise spectral function and spin coherence as measured by a number of pulse spin resonance sequences. Section 3 describes the electron-nuclear spin Hamiltonian, including isotropic and anisotropic hyperfine interactions, inter-nuclear dipolar interactions, and the effective Hamiltonian for nuclear-nuclear coupling mediated by the electron spin hyperfine interaction. Section 4 describes a microscopic calculation of the nuclear spin noise spectrum arising due to nuclear spin dipolar flip-flops with quasiparticle broadening included. Section 5 compares our explicit numerical results to electron spin echo decay experiments for phosphorus doped silicon in natural and nuclear spin enriched samples.Comment: Book chapter in "Electron spin resonance and related phenomena in low dimensional structures", edited by Marco Fanciulli. To be published by Springer-Verlag in the TAP series. 35 pages, 9 figure

Quantum walks can find a marked element on any graph

We solve an open problem by constructing quantum walks that not only detect but also find marked vertices in a graph. In the case when the marked set $M$ consists of a single vertex, the number of steps of the quantum walk is quadratically smaller than the classical hitting time $HT(P,M)$ of any reversible random walk $P$ on the graph. In the case of multiple marked elements, the number of steps is given in terms of a related quantity $HT^+(\mathit{P,M})$ which we call extended hitting time. Our approach is new, simpler and more general than previous ones. We introduce a notion of interpolation between the random walk $P$ and the absorbing walk $P'$, whose marked states are absorbing. Then our quantum walk is simply the quantum analogue of this interpolation. Contrary to previous approaches, our results remain valid when the random walk $P$ is not state-transitive. We also provide algorithms in the cases when only approximations or bounds on parameters $p_M$ (the probability of picking a marked vertex from the stationary distribution) and $HT^+(\mathit{P,M})$ are known.Comment: 50 page

From quantum graphs to quantum random walks

We give a short overview over recent developments on quantum graphs and outline the connection between general quantum graphs and so-called quantum random walks.Comment: 14 pages, 6 figure