Supervised learning applied to high-dimensional millimeter wave transient absorption data for age prediction of perovskite thin-film

We have analyzed a limited sample set of 120 GHz, and 150 GHz time-resolved millimeter wave (mmW) photoconductive decay (mmPCD) signals of 300 nm thick air-stable encapsulated perovskite film (methyl-ammonium lead halide) excited using a pulsed 532-nm laser with fluence 10.6 micro-Joules per cm-2. We correlated 12 parameters derived directly from acquired mmPCD kinetic-trace data and its step-response, each with the sample-age based on the date of the experiment. Five parameters with a high negative correlation with sample age were finally selected as predictors in the Gaussian Process Regression (GPR) machine learning model for prediction of the age of the sample. The effects of aging (between 0 and 40,000 hours after film production) are quantified mainly in terms of a shift in peak voltage, the response ratio (conductance parameter), loss-compensated transmission coefficient, and the radiofrequency (RF) area of the transient itself (flux). Changes in the other step-response parameters and the decay length of the aging transients are also shown. The GPR model is found to work well for a forward prediction of the age of the sample using this method. It is noted that the Matern-5 over 2 GPR kernel for supervised learning provides the best realistic solution for age prediction with R squared around 0.97

Comprehensive Synthesis of Monohydroxy-Cucurbit[n]urils (n=5, 6, 7, 8): High Purity and High Conversions

We describe a photochemical method to introduce a single alcohol function directly on cucurbit[n]urils (n = 5, 6, 7, 8) with conversions of the order 95-100% using hydrogen peroxide and UV light. The reaction was easily scaled up to 1 g for CB[6] and CB[7]. Spin trapping of cucurbituril radicals combined with MS experiments allowed us to get insights about the reaction mechanism and characterize CB [5], CB[6], CB[7], and C13[8] monofunctional compounds. Experiments involving O-18 isotopically labeled water indicated that the mechanism was complex and showed signs of both radical and ionic intermediates. DFT calculations allowed estimating the Bond Dissociation Energies (BDEs) of each hydrogen atom type in the CB series, providing an explanation of the higher reactivity of the "equatorial" C-H position of CB[n] compounds. These results also showed that, for CB [8], direct functionalization on the cucurbituril skeleton is more difficult because one of the methylene hydrogen atoms (H-b) has its BDE lowering within the series and coming close to that of H-c, thus opening the way to other types of free radicals generated on the CB[8] skeleton leading to several side products. Yet CB[5]-(OH)(1) and CB[8]-(OH)(1), the first CB[8] derivative, were obtained in excellent yields thanks to the soft method presented here

Magnetism: the Driving Force of Order in CoPt. A First-Principles Study

CoPt or FePt equiatomic alloys order according to the tetragonal L10 structure which favors their strong magnetic anisotropy. Conversely magnetism can influence chemical ordering. We present here {\it ab initio} calculations of the stability of the L10 and L12 structures of Co-Pt alloys in their paramagnetic and ferromagnetic states. They show that magnetism strongly reinforces the ordering tendencies in this system. A simple tight-binding analysis allows us to account for this behavior in terms of some pertinent parameters

Planktic foraminiferal biostratigraphy, paleoecology and chronostratigraphy across the Eocene/Oligocene boundary in northern Tunisia

The biostratigraphic analysis of the Eocene-Oligocene transition of the Menzel Bou Zelfa and Jhaff sections in northeastern Tunisia (Cap Bon peninsula) allows us to identify a continuous planktic foraminiferal biozonation. The following biozones were recognized: Globigerinatheka semiinvoluta Zone (E14), Globigerinatheka index Zone (E15), (Hantkenina alabamensis Zone (E16) of the upper Eocene and Pseudohastigerina naguewichiensis Zone (O1) of the lower Oligocene. A rapid mass extinction event in planktic foraminifera occurred at the Eocene-Oligocene transition, including the extinction of the turborotalids (Turborotalia cerroazulensis, Turborotalia cocoaensis and Turborotalia cunialensis) followed by a significant size reduction of the genus Pseudohastigerina and the extinction of the hantkeninids (Hantkenina alabamensis, Hantkenina brevispina, Hantkenina nanggulanensis and Cribrohantkenina lazzarii), which mark the Eocene/Oligocene boundary. These species were tropical and subtropical surface and intermediate dwellers, with distinctive morphologies (carinate turborotalids and spinose hantkeninids), which were well adapted species of k-strategy. The surviving planktic foraminifera species were quite similar in morphology with globular chambers (globigerinids) and small planispiral (pseudohastigerinids), which were opportunistic species of r-strategy. The recognition of a 4 m thick interval, between the extinction of turborotalids and hantkeninids, indicates that the section is continuous and one of the most expanded throughout the Eocene-Oligocene transition. This section could serve as an auxiliary section (hypostratotype) for the complete definition of the Global Stratotype Section and Point for the Eocene/Oligocene boundary, which mark the base of the Rupelian Stage

Viscosity solutions of systems of PDEs with interconnected obstacles and Multi modes switching problems

This paper deals with existence and uniqueness, in viscosity sense, of a solution for a system of m variational partial differential inequalities with inter-connected obstacles. A particular case of this system is the deterministic version of the Verification Theorem of the Markovian optimal m-states switching problem. The switching cost functions are arbitrary. This problem is connected with the valuation of a power plant in the energy market. The main tool is the notion of systems of reflected BSDEs with oblique reflection.Comment: 36 page

Inf-convolution of G-expectations

In this paper we will discuss the optimal risk transfer problems when risk measures are generated by G-expectations, and we present the relationship between inf-convolution of G-expectations and the inf-convolution of drivers G.Comment: 23 page

Systematic determination of the mosaic structure of bacterial genomes: species backbone versus strain-specific loops

BACKGROUND: Public databases now contain multitude of complete bacterial genomes, including several genomes of the same species. The available data offers new opportunities to address questions about bacterial genome evolution, a task that requires reliable fine comparison data of closely related genomes. Recent analyses have shown, using pairwise whole genome alignments, that it is possible to segment bacterial genomes into a common conserved backbone and strain-specific sequences called loops. RESULTS: Here, we generalize this approach and propose a strategy that allows systematic and non-biased genome segmentation based on multiple genome alignments. Segmentation analyses, as applied to 13 different bacterial species, confirmed the feasibility of our approach to discern the 'mosaic' organization of bacterial genomes. Segmentation results are available through a Web interface permitting functional analysis, extraction and visualization of the backbone/loops structure of documented genomes. To illustrate the potential of this approach, we performed a precise analysis of the mosaic organization of three E. coli strains and functional characterization of the loops. CONCLUSION: The segmentation results including the backbone/loops structure of 13 bacterial species genomes are new and available for use by the scientific community at the URL: