Industrial data science - a review of machine learning applications for chemical and process industries

In the literature, machine learning (ML) and artificial intelligence (AI) applications tend to start with examples that are irrelevant to process engineers (e.g. classification of images between cats and dogs, house pricing, types of flowers, etc.). However, process engineering principles are also based on pseudo-empirical correlations and heuristics, which are a form of ML. In this work, industrial data science fundamentals will be explained and linked with commonly-known examples in process engineering, followed by a review of industrial applications using state-of-art ML techniques

Integral representation of the linear Boltzmann operator for granular gas dynamics with applications

We investigate the properties of the collision operator associated to the linear Boltzmann equation for dissipative hard-spheres arising in granular gas dynamics. We establish that, as in the case of non-dissipative interactions, the gain collision operator is an integral operator whose kernel is made explicit. One deduces from this result a complete picture of the spectrum of the collision operator in an Hilbert space setting, generalizing results from T. Carleman to granular gases. In the same way, we obtain from this integral representation of the gain operator that the semigroup in L^1(\R \times \R,\d \x \otimes \d\v) associated to the linear Boltzmann equation for dissipative hard spheres is honest generalizing known results from the first author.Comment: 19 pages, to appear in Journal of Statistical Physic

Environmental exposure to chlorpyrifos during gestation, APOE polymorphism and the risk on autistic-like behaviors

Autism spectrum disorder (ASD) encompasses several neurodevelopmental conditions characterized by communication and social impairment, as well as repetitive patterns of behavior. However, it can co-occur with other mental conditions such as anxiety. The massive use of chlorpyrifos (CPF) has been linked to the increased prevalence of developmental disorders. Likewise, ASD has also been closely linked to a wide variety of genetic factors. The aims of the present investigation are to study how gestational CPF exposure and APOE polymorphism affects communication skills, early development and mid-term anxiety-like behaviors, as well as, changes in gene expression related to the cholinergic system. C57BL/6J and humanized apoE3 and apoE4 homozygous mice were exposed to 0 or 1 mg/kg/day of CPF through the diet, from gestational day (GD) 12-18. In addition, a group of C57BL/6J females were injected subcutaneously with 300 mg/kg/day of valproic acid (VPA) on GD 12 and 13. This group was used as a positive control for studying some core and associated autism-like behaviors. Communication skills by means of ultrasonic vocalizations and physical/motor development were assessed during the preweaning period, whereas locomotor activity, anxiety-like behaviors and the gene expression of cholinergic elements were evaluated during adolescence. Our results showed that C57BL/6J mice prenatally exposed to CPF or VPA showed a decrease in body weight and a delay in eye opening. Communication and anxiety behavior were affected differently depending on treatment, while gene expression was altered by sex and treatment. In addition, none of the parameters evaluated in apoE transgenic mice exposed to CPF were affected, but there were differences between genotypes. Therefore, we suggest that prenatal CPF exposure and VPA produce divergent effects on communication and anxiety. Keywords: APOE genotype; Anxiety; Autism; Chlorpyrifos; Cholinergic system; Development; Ultrasonic vocalizations

Reduction of Dispersion in Ultrasonically-Enhanced Micropacked Beds

Channeling of gas can reduce mass transfer performance in multiphase micropacked-bed reactors. Viscous and capillary forces cause this undesired and often unpredictable phenomenon in systems with catalyst particle sizes of hundreds of micrometers. In this work, we acoustically modify flow in a micropacked-bed reactor to reduce gas channeling by applying high-power sonication at low ultrasonic frequencies (∼40 kHz). Experimental residence time distributions reveal two orders of magnitude reduction in dispersion with ultrasound, allowing for nearly plug-flow behavior at high flow rates in the bed. Sonication appears to partially fluidize the packed-bed under pressurized cocurrent two-phase flow, effectively improving dispersion characteristics.This research was partially funded by the EU project MAPSYN: Microwave, Acoustic and Plasma SYNtheses, under Grant CPIP 309376 of the European Union Seventh Framework Program

Integrative analyses identify modulators of response to neoadjuvant aromatase inhibitors in patients with early breast cancer

Introduction Aromatase inhibitors (AIs) are a vital component of estrogen receptor positive (ER+) breast cancer treatment. De novo and acquired resistance, however, is common. The aims of this study were to relate patterns of copy number aberrations to molecular and proliferative response to AIs, to study differences in the patterns of copy number aberrations between breast cancer samples pre- and post-AI neoadjuvant therapy, and to identify putative biomarkers for resistance to neoadjuvant AI therapy using an integrative analysis approach. Methods Samples from 84 patients derived from two neoadjuvant AI therapy trials were subjected to copy number profiling by microarray-based comparative genomic hybridisation (aCGH, n = 84), gene expression profiling (n = 47), matched pre- and post-AI aCGH (n = 19 pairs) and Ki67-based AI-response analysis (n = 39). Results Integrative analysis of these datasets identified a set of nine genes that, when amplified, were associated with a poor response to AIs, and were significantly overexpressed when amplified, including CHKA, LRP5 and SAPS3. Functional validation in vitro, using cell lines with and without amplification of these genes (SUM44, MDA-MB134-VI, T47D and MCF7) and a model of acquired AI-resistance (MCF7-LTED) identified CHKA as a gene that when amplified modulates estrogen receptor (ER)-driven proliferation, ER/estrogen response element (ERE) transactivation, expression of ER-regulated genes and phosphorylation of V-AKT murine thymoma viral oncogene homolog 1 (AKT1). Conclusions These data provide a rationale for investigation of the role of CHKA in further models of de novo and acquired resistance to AIs, and provide proof of concept that integrative genomic analyses can identify biologically relevant modulators of AI response

Hunting territories and land use overlap in sedentarised Baka Pygmy communities in southeastern Cameroon

A significant number of Baka Pygmies in Cameroon have been sedentarised in roadside villages, in contrast to their nomadic hunter-gatherer existence of the past. Although this change in lifestyle has had important consequences on health, most Baka villages still supplement their diets from forest products, especially wild meat. We used a combination of participatory methods and monitoring of individual hunters to map hunting territories in 10 Baka villages in southeastern Cameroon. From these, we determined whether wild meat extraction levels per village were related to the size of hunting territories, measured habitat use by hunters and finally defined the overlap between hunting territories and extractive industries in the region. Mapped village hunting areas averaged 205.2 ± 108.7 km2 (range 76.8–352.0 km2); all villages used a total of 2052 km2. From 295 tracks of 51 hunters, we showed that hunters travelled an average of 16.5 ± 13.5 km (range 0.9–89.8 km) from each village. Home ranges, derived from kernel utilization distributions, were correlated with village offtake levels, but hunter offtake and distance travelled were not significantly related, suggesting that enough prey was available even close to the villages. Hunters in all village areas exhibited a clear bias towards certain habitats, as indicated by positive Ivlev’s index of selectivity values. We also showed that all village hunting territories and hunter home ranges fall within mining and logging concessions. Our results are important for local understanding of forest land uses and to reconcile these with the other land uses in the region to better inform decisions concerning land use policy and planning

Measurement of Angular Distributions and R= sigma_L/sigma_T in Diffractive Electroproduction of rho^0 Mesons

Production and decay angular distributions were extracted from measurements of exclusive electroproduction of the rho^0(770) meson over a range in the virtual photon negative four-momentum squared 0.5< Q^2 <4 GeV^2 and the photon-nucleon invariant mass range 3.8< W <6.5 GeV. The experiment was performed with the HERMES spectrometer, using a longitudinally polarized positron beam and a ^3He gas target internal to the HERA e^{+-} storage ring. The event sample combines rho^0 mesons produced incoherently off individual nucleons and coherently off the nucleus as a whole. The distributions in one production angle and two angles describing the rho^0 -> pi+ pi- decay yielded measurements of eight elements of the spin-density matrix, including one that had not been measured before. The results are consistent with the dominance of helicity-conserving amplitudes and natural parity exchange. The improved precision achieved at 47 GeV, reveals evidence for an energy dependence in the ratio R of the longitudinal to transverse cross sections at constant Q^2.Comment: 15 pages, 15 embedded figures, LaTeX for SVJour(epj) document class Revision: Fig. 15 corrected, recent data added to Figs. 10,12,14,15; minor changes to tex

An inverse problem in quantum statistical physics

International audienceWe address the following inverse problem in quantum statistical physics: does the quantum free energy (von Neumann entropy + kinetic energy) admit a unique minimizer among the density operators having a given local density $n(x)$? We give a positive answer to that question, in dimension one. This enables to define rigourously the notion of local quantum equilibrium, or quantum Maxwellian, which is at the basis of recently derived quantum hydrodynamic models and quantum drift-diffusion models. We also characterize this unique minimizer, which takes the form of a global thermodynamic equilibrium (canonical ensemble) with a quantum chemical potential

Double hadron leptoproduction in the nuclear medium

First measurement of double-hadron production in deep-inelastic scattering has been measured with the HERMES spectrometer at HERA using a 27.6 GeV positron beam with deuterium, nitrogen, krypton and xenon targets. The influence of the nuclear medium on the ratio of double-hadron to single-hadron yields has been investigated. Nuclear effects are clearly observed but with substantially smaller magnitude and reduced $A$-dependence compared to previously measured single-hadron multiplicity ratios. The data are in fair agreement with models based on partonic or pre-hadronic energy loss, while they seem to rule out a pure absorptive treatment of the final state interactions. Thus, the double-hadron ratio provides an additional tool for studying modifications of hadronization in nuclear matter