Regularized MANOVA (rMANOVA) in untargeted metabolomics

Many advanced metabolomics experiments currently lead to data where a large number of response variables were measured while one or several factors were changed. Often the number of response variables vastly exceeds the sample size and well-established techniques such as multivariate analysis of variance (MANOVA) cannot be used to analyze the data.     

Infinite time aggregation for the critical Patlak‐Keller‐Segel model in ℝ2

We analyze the two‐dimensional parabolic‐elliptic Patlak‐Keller‐Segel model in the whole Euclidean space ?². Under the hypotheses of integrable initial data with finite second moment and entropy, we first show local‐in‐time existence for any mass of “free‐energy solutions,” namely weak solutions with some free‐energy estimates. We also prove that the solution exists as long as the entropy is controlled from above. The main result of the paper is to show the global existence of free‐energy solutions with initial data as before for the critical mass 8π/χ. Actually, we prove that solutions blow up as a delta Dirac at the center of mass when t → ∞ when their second moment is kept constant at any time. Furthermore, all moments larger than 2 blowup as t → ∞ if initially bounded. © 2007 Wiley Periodicals, Inc.     

Large deviations for the empirical mean of an M/M/1 queue

Let $(Q(k):k\ge 0)$ be an $M/M/1$ queue with traffic intensity $\rho \in (0,1).$ Consider the quantity $$\begin{aligned} S_{n}(p)=\frac{1}{n}\sum _{j=1}^{n}Q\left( j\right) ^{p} \end{aligned}$$ for any $p>0.$ The ergodic theorem yields that $S_{n}(p) \rightarrow \mu (p) :=E[Q(\infty )^{p}]$ , where $Q(\infty )$ is geometrically distributed with mean $\rho /(1-\rho ).$ It is known that one can explicitly characterize $I(\varepsilon )>0$ such that $$\begin{aligned} \lim \limits _{n\rightarrow \infty }\frac{1}{n}\log P\big (S_{n}(p)<\mu \left( p\right) -\varepsilon \big ) =-I\left( \varepsilon \right) ,\quad \varepsilon >0. \end{aligned}$$ In this paper, we show that the approximation of the right tail asymptotics requires a different logarithm scaling, giving $$\begin{aligned} \lim \limits _{n\rightarrow \infty }\frac{1}{n^{1/(1+p)}}\log P\big (S_{n} (p)>\mu \big (p\big )+\varepsilon \big )=-C\big (p\big ) \varepsilon ^{1/(1+p)}, \end{aligned}$$ where $C(p)>0$ is obtained as the solution of a variational problem. We discuss why this phenomenon—Weibullian right tail asymptotics rather than exponential asymptotics—can be expected to occur in more general queueing systems.     

Characterizing optimal sampling of binary contingency tables via the configuration model

A binary contingency table is an m × n array of binary entries with row sums r = (r₁, …, r_m) and column sums c = (c₁, …, c_n). The configuration model generates a contingency table by considering r_i tokens of type 1 for each row i and c_j tokens of type 2 for each column j, and then taking a uniformly random pairing between type‐1 and type‐2 tokens. We give a necessary and sufficient condition so that the probability that the configuration model outputs a binary contingency table remains bounded away from 0 as \begin{align*}N=\sum_{i=1}^m r_i=\sum_{j=1}^n c_j\end{align*} goes to ∞. Our finding shows surprising differences from recent results for binary symmetric contingency tables. © 2012 Wiley Periodicals, Inc. Random Struct. Alg., 2012     

Graphical thresholding procedure and optimal light level estimation for spatially resolved photon counting with EMCCDs

Thanks to the electron multiplying function that can effectively convert the weak incident photon signal to amplified electron output, electron multiplying charged-coupled devices (EMCCDs) are becoming useful and popular detectors in photon counting regimes necessitating also spatial resolution. A multi-imaging strategy has been already proposed and experimentally tested to improve the accuracy of photon counting with an EMCCD, by taking into account the random nature of its on-chip gain and the possibility of multiple photodetection events on 1 pixel. In this paper, referring to the thresholding procedure developed for photon counting, we present a clear graphical method for the threshold and the optimal light level estimations. Thanks to the graphical visualization of the probabilities involved in the detection errors on 1 pixel, we are able to derive in a straightforward way and for any EMCCD, the threshold level and thus the best mean level of illumination to be used in order to minimize the false detection probabilities that might ruin the image statistics, especially in cases where quantum spatial effects might be observed.     

Modular categories of types B, C and D

We construct four series of modular categories from the two-variable Kauffman polynomial, without use of the representation theory of quantum groups at roots of unity. The specializations of this polynomial corresponding to quantum groups of types B, C and D produce series of pre-modular categories. One of them turns out to be modular and three others satisfy Bruguières' modularization criterion. For these four series we compute the Verlinde formulas, and discuss spin and cohomological refinements. Received: July 1, 2000     

Skein construction of idempotents in Birman-Murakami-Wenzl algebras

We give skein theoretic formulas for minimal idempotents in the Birman-Murakami-Wenzl algebras. These formulas are then applied to derive various known results needed in the construction of quantum invariants and modular categories. In particular, an elementary proof of the Wenzl formula for quantum dimensions is given. This proof does not use the representation theory of quantum groups and the character formulas. Received: 26 September 2000 / Published online: 17 August 2001     

Fluid heuristics, Lyapunov bounds and efficient importance sampling for a heavy-tailed G/G/1 queue

We develop a strongly efficient rare-event simulation algorithm for computing the tail of the steady-state waiting time in a single server queue with regularly varying service times. Our algorithm is based on a state-dependent importance sampling strategy that is constructed so as to be straightforward to implement. The construction of the algorithm and its asymptotic optimality rely on a Lyapunov-type inequality that is used to bound the second moment of the estimator. The solution to the Lyapunov inequality is constructed using fluid heuristics. Our approach takes advantage of the regenerative ratio formula for the steady-state distribution—and does not use the first passage time representation that is particular to the delay in the G/G/1 queue. Hence, the strategy has the potential to be applied in more general queueing models.      

Reeve's synthesis of 2-imino-4-thiazolidinone from alkyl (aryl) trichloromethylcarbinol revisited, a three-component process from aldehyde, chloroform and thiourea

An efficient synthesis of 2-imino-4-thiazolidinones from readily accessible alkyl (aryl) trichloromethylcarbinols and thioureas under mild conditions is reported. A one-pot three-component synthesis of the title compounds from aldehyde, chloroform and thiourea is also developed for the first time     

Ubiquinol formation in isolated photosynthetic reaction centres monitored by time-resolved differential FTIR in combination with 2D correlation spectroscopy and multivariate curve resolution

Two-dimensional correlation analysis was carried out in combination with multivariate curve resolution–alternating least squares (MCR-ALS) to analyse time-resolved infrared (IR) difference spectra probing photo-induced ubiquinol formation in detergent-isolated reaction centres from Rhodobacter sphaeroides. The dynamic 2D IR correlation spectra have not only allowed the determination of the concomitance or non-concomitance of different chemical events through known marker bands but also have helped identify new vibrational bands related to the complex series of photochemical and redox reactions. In particular, a strong positive band located at 1565 cm⁻¹ was found to be synchronous with the process of ubiquinol formation. In addition, a tailored MCR-ALS analysis was performed using a priori chemical knowledge of the system, in particular including the pure spectrum of one species obtained from an external measurement. Enhancing the MCR-ALS performance in this way in time-dependent processes is relevant, especially when other essential pieces of information, such as kinetic models, are unavailable. The results give evidence of four independent spectral contributions. Three of them show marker bands for a monoelectronic reduction of the primary quinone Q_A (Q_A⁻/Q_A transition, first contribution), for a monoelectronic reduction of a secondary quinone Q_B (Q_B⁻/Q_B transition, second contribution) and for ubiquinol formation (third contribution). The results obtained also confirm that a key rate-limiting factor is the slow ubiquinone and ubiquinol exchange among micelles, which strongly influences the kinetic profiles of the involved species.