A new classification and regression tool, Random Forest, is introduced investigated for predicting a compound's quantitative or categorical biological activity based on description of the molecular structure. Forest an ensemble unpruned trees created by using bootstrap samples training data random feature selection in tree induction. Prediction made aggregating (majority vote averaging) predictions ensemble. We built predictive models six cheminformatics sets. Our analysis demonstrates that...

Atherosclerosis imaging with ¹⁸F-FDG PET is useful for tracking inflammation within plaque and monitoring the response to drug therapy. Short-term reproducibility of this technique in peripheral artery disease has not been assessed, optimal method quantification still debated. We imaged 20 patients vascular using twice, 14 d apart, used these data assess measures compare 2 methods uptake measurement. also reviewed literature on determine arterial future studies. <b>Methods:</b>...

A classification and regression tool, J. H. Friedman's Stochastic Gradient Boosting (SGB), is applied to predicting a compound's quantitative or categorical biological activity based on description of the molecular structure. procedure for building sequence models, instance trees (as in this paper), whose outputs are combined form predicted quantity, either an estimate activity, class label which molecule belongs. In particular, SGB builds model stage-wise manner by fitting each tree...

Scientific research of all kinds should be guided by statistical thinking: in the design and conduct study, disciplined exploration enlightened display data, to avoid pitfalls interpretation results. However, formal, probability-based inference play no role most scientific research, which is inherently exploratory, requiring flexible methods analysis that risk overfitting. The nature exploratory work data are used help guide model choice, under these circumstances, uncertainty cannot...

Motivated by a recent method of Freund [SIAM J. Sci. Comput., 14 (1993), pp. 470–482], who introduced quasi-minimal residual (QMR) version the conjugate gradients squared (CGS) algorithm, QMR variant biconjugate gradient stabilized (Bi-CGSTAB) algorithm van der Vorst that is called QMRCGSTAB, proposed for solving nonsymmetric linear systems. The motivation both variants to obtain smoother convergence behavior underlying method. authors illustrate this numerical experiments also show problems...

Salmonella enterica is a major cause of foodborne illness in the United States. A multi-drug resistant (MDR) emergent Infantis (ESI) with megaplasmid (pESI) was first identified Israel and Italy subsequently reported worldwide. The ESI clone carrying an extended spectrum β-lactamase blaCTX-M-65 on pESI-like plasmid mutation gyrA gene has recently been found States poultry meat.We analyzed phenotypic genotypic antimicrobial resistance, genomics phylogeny 200 S. infantis isolates from animal...

A theoretical framework for describing the effects of nonlinear reflection on otoacoustic emission fine structure is presented. The following models cochlear are analyzed: weak nonlinearity, distributed roughness, and a combination nonlinearity roughness. In particular, these examined in context stimulus frequency emissions (SFOAEs). agreement with previous studies, it concluded that only linear can explain underlying properties structures. However, shown unexpectedly, some cases,...

Despite its heterogeneity, there is currently limited data in pleural infection phenotyping. Using fluid characteristics, can be classified into microbiological-positive (MPPI) and microbiological-negative (MNPI). This study aimed to evaluate the prognostic significance of microbiological positivity infection, performance RAPID (renal, age, purulence, source, dietary factor) score these subgroups. Consecutive patients hospitalized for over a 10-year period two acute-care hospitals Hong Kong...

Air quality issues in megacities have significant implications for public health and economic development. This study analyzes the impacts of long-term emission reduction policies short-term emergency control measures on concentrations major air pollutants, using Chengdu Chongqing as case studies applying meteorological normalization methods.The results from monitoring data indicate reductions PM2.5, PM10, NO2, SO2, CO, with achieving particularly notable CO. However, O3 both cities shown a...

Two genetically engineered, conditional mouse models of lung tumor formation, K-rasLSL-G12D and K-rasLSL-G12D/p53LSL-R270H, are commonly used to model human cancer. Developed by Tyler Jacks colleagues, these have been invaluable study in vivo cancer initiation progression a physiologically relevant context. However, heterogeneity, multiplicity complexity formation make it challenging monitor growth limited the application oncology drug discovery. Here, we describe novel analytical method...

Algebraic multigrid methods offer the hope that convergence can be achieve (for at least some important applications) without a great deal of effort from engineers an scientists wishing to solve linear systems. In this paper we consider parallelization smoothe aggregation methods. Smoothed is one most promising algebraic Therefore, eveloping parallel variants with both good efficiency properties importance. However, nontrivial due somewhat sequential (or grid coarsening) phase. paper,...

General principles for developing physically sound low-order models in fluid dynamics are discussed. It is shown that with energy conserving properties of the original equations arise various important problems (Rayleigh–Bénard convection, rotating fluid, magnetohydrodynamic convection) may be presented form coupled three-mode systems known mechanics as Volterra gyrostats (plus terms describing forcing and friction). When these expanded by increasing order approximation or adding new...

An isentropic, one-dimensional model is used to analyse the dynamics of dilute two-phase (feed powder particles plus carrier gas) flow during cold-spray process. While physical foundation quite straightforward, solution for can be obtained only numerically. The results show that there a particle-velocity-dependent, carrier-gas-invariant optimal value relative gas/particle Mach number maximizes drag force acting on feed and, hence, acceleration particles. Furthermore, it found if nozzle...

Dynamical decoupling (DD) is a low-overhead method for quantum error suppression. We describe how empirical learning schemes can be used to tailor DD strategies the device and task at hand. use genetic algorithms learn (GADD) apply our 27-qubit Bernstein-Vazirani algorithm, 5-qubit Grover's 80-qubit mirror randomized benchmarking circuits. In each scenario, GADD significantly outperform canonical sequences. demonstrate generic scalable nature of in that it does not require priori knowledge...

The development of physically sound low-order models (LOMs) convective flow is discussed. LOMs are constructed in the form coupled three-mode systems known mechanics as Volterra gyrostats. This structure ensures energy conservation, a property fundamental importance sometimes missing atmospheric LOMs. In addition, gyrostatic makes it possible to reduce an LOM one with minimal number modes that still describes effect interest. approach illustrated two important One modification...

Constructing hydrodynamic low-order models in the form of coupled gyrostats eliminates possibility certain unphysical behaviors, such as solutions diverging to infinity, that often appear resulting from ad hoc truncations Galerkin approximations. In this paper, a simple model gyrostatic conserves energy dissipationless limit (Model I) is constructed for three-dimensional (3D) Rayleigh-Bénard convection. It can be considered an energy-conserving extension by Das et al. [Phys. Rev. E 62, R3051...

For primary frequency ratios, f2/f1, in the range 1.1–1.3, fixed-f1 (“f2-sweep”) phase derivative of 2f1–f2 distortion product otoacoustic emission (DPOAE) is larger than fixed-f2 (“f1-sweep”) one. It has been proposed by some researchers that part or all difference between these delays may be attributed to so-called cochlear filter “build-up” response time DPOAE generation region around f2 tonotopic site. The analysis an approximate theoretical expression for signal [Talmadge et al., J....

A gyrostat is a system of bodies whose relative motion does not alter the intrinsic mass distribution system. solid an arbitrary rigid body attached to one or more axisymmetric rotors with their axes fixed in carrier. liquid cavity rotating filled inviscid, homogeneous fluid. For certain conditions, gyrostats obey Volterra equations motion, generalization Euler for about point. The Lorenz model equivalent special case forced, dissipative regime, as its laboratory analog, Malkus water wheel....

A rapid test method was developed for detecting mycoplasma contamination in veterinary biological products. The reduces testing time by 2 weeks and shows comparable sensitivity to the current agar-based detection model. primary goals development of were reduce time, incorporate a that easily adaptable across biologics industry subjective interpretation results. We found enrichment is necessary maintain when compared standard culture-based periodic sampling cultures essential detect wide...

The temporal behavior of the 2f1−f2 distortion product otoacoustic emission is theoretically investigated for case in which lower frequency (f1) primary tone on continuously, and higher (f2) one pulsed off [e.g., Talmadge et al., J. Acoust. Soc. Am. 105, 275–292 (1999)]. On physical grounds, this expected to be characterized by various group delays associated with propagation (1) f2 cochlear wave between base generation region around x̂2 (the tonotopic place), (2) (DP) waves base, product,...

Abstract. Proper specification of model parameters is critical to the performance land surface models (LSMs). Due high dimensionality and parameter interaction, estimating a LSM challenging task. Sensitivity analysis (SA) tool that can screen out most influential on outputs. In this study, we conducted screening for six output fluxes Common Land Model: sensible heat, latent upward longwave radiation, net soil temperature moisture. A total 40 adjustable were considered. Five qualitative SA...