In the near future, Exascale systems will need to bridge three technology gaps to achieve high performance while remaining under tight power constraints: energy efficiency and thermal control; extreme computation efficiency via HW acceleration and new arithmetic; methods and tools for seamless integration of reconfigurable accelerators in heterogeneous HPC multi-node platforms. TEXTAROSSA addresses these gaps through a co-design approach to heterogeneous HPC solutions, supported by the integration and extension of HW and SW IPs, programming models, and tools derived from European research.

We describe a signal processing method for demodulation of digital signals based on Hilbert transform (HT). We review the signal processing theory and the method of Analytic Signal transformation (AS) and their algorithms which are implemented by FFT, then we propose a direct method for the numerical approximation of the Hilbert transform that is a generalization of the al- gorithm presented in [1]. The proposed algorithm provides the estimate of instantaneous frequency and phase of the received signals, and can be used for both binary communication based on phased-shifting keying (PSK) and frequency-shifting keying (BFSK) [2]. Typical applications include data analysis as a bank of matched lters [3], data communi- cation of electric and acoustic soil response and sea autonomous platforms. References [1] M.R. Capobianco, G. Criscuolo, Some Remarks about the Hilbert Transform, Journal of Research in Applied Mathematics, 5 (2019) pp.16-24 [2] J.C. Goswami, A.E. Hoefel, Algorithms for estimating instantaneous frequency, Signal Processing 84 (2004) pp.1423-1427 [3] S. Marano, M. Medugno, M. Longo, A real-time parallel application: the de- tection of gravitational waves by a network of heterogeneous workstations, Jour- nal of Computational Physics, Vol. 139, No. 1, January 1 1998, pp.15-34, doi.org/10.1006/jcph.1997.5857

Photocurable polymers are used ubiquitously in 3D printing, coatings, adhesives, and composite fillers. In the present work, the free radical polymerization of photocurable compounds is studied using reactive classical molecular dynamics combined with a dynamical approach of the nonequilibrium molecular dynamics (D-NEMD). Different concentrations of radicals and reaction velocities are considered. The mechanical properties of the polymer resulting from 1,6-hexanediol dimethacrylate systems are characterized in terms of viscosity, diffusion constant, and activation energy, whereas the topological ones through the number of cycles (polymer loops) and cyclomatic complexity. Effects like volume shrinkage and delaying of the gel point for increasing monomer concentration are also predicted, as well as the stress-strain curve and Young's modulus. Combining ab initio, reactive molecular dynamics, and the D-NEMD method might lead to a novel and powerful tool to describe photopolymerization processes and to original routes to optimize additive manufacturing methods relying on photosensitive macromolecular systems.

E-commerce is a continuously growing sector worldwide, with important repercussions on the delivery system in urban areas and especially in the Business to Consumer (B2C) sector. The delivery of a package to a consumer's address involves not only high costs for couriers (greater number of kilometres travelled), but also increased congestion and greater environmental pollution (greater volume of pollutants released into the air). To rationalize deliveries in urban areas the use of collection points, equipped with lockers, to store the goods that users have ordered has been considered in literature. This work compares two alternative delivery options: deliveries to the consumer's home versus to Lockers. To make this comparison we used a cluster first route second math-heuristic approach. In the clustering phase, we experimented a new clustering function, while the routing phase consists in solving an instance of the Traveling Salesman Problem for each generated cluster. Finally, we applied the math-heuristic to a real case (the Italian municipality of Dolo near Venice) and compared the two delivery alternatives. We evaluate the performance considering two different fleets of vehicles, with small and medium capacity. In addition, since additional trips might be performed by consumers to pick up parcels at Lockers, a sensitivity analysis was carried out to analyse the sustainability of the proposed city logistics scheme.

Purpose: This study aimed to describe a multisystemic disorder featuring cardiovascular, facial, musculoskeletal, and cutaneous anomalies caused by heterozygous loss-of-function variants in TAB2.Methods: Affected individuals were analyzed by next-generation technologies and genomic array. The presumed loss-of-function effect of identified variants was assessed by luciferase assay in cells transiently expressing TAB2 deleterious alleles. In available patients' fibroblasts, variant pathogenicity was further explored by immunoblot and osteoblast differentiation assays. The transcriptomic profile of fibroblasts was investigated by RNA sequencing.Results: A total of 11 individuals from 8 families were heterozygotes for a novel TAB2 variant. In total, 7 variants were predicted to be null alleles and 1 was a missense change. An additional subject was heterozygous for a 52 kb microdeletion involving TAB2 exons 1 to 3. Luciferase assay indicated a decreased transcriptional activation mediated by NF-?B signaling for all point variants. Immunoblot analysis showed a reduction of TAK1 phosphorylation while osteoblast differentiation was impaired. Transcriptomic analysis identified deregulation of multiple pleiotropic pathways, such as TGF?-, Ras-MAPK-, and Wnt-signaling networks.Conclusion: Our data defined a novel disorder associated with loss-of-function or, more rarely, hypomorphic alleles in a restricted linker region of TAB2. The pleiotropic manifestations in this disorder partly recapitulate the 6q25.1 (TAB2) microdeletion syndrome and deserve the definition of cardio-facial-cutaneous-articular syndrome.

In this paper we propose a new approach to detect clusters in undirected graphs with attributed vertices. The aim is to group vertices which are similar not only in terms of structural connectivity but also in terms of attribute values. We incorporate structural and attribute similarities between the vertices in an augmented graph by creating additional vertices and edges as proposed in [6, 38]. The augmented graph is then embedded in a Euclidean space associated to its Laplacian where a modified K-means algorithm is applied to identify clusters. The modified K-means relies on a vector distance measure where to each original vertex we assign a suitable vector-valued set of coordinates depending on both structural connectivity and attribute similarities, so that each original graph vertex is thought as representative of m + 1 vertices of the augmented graph, if m is the number of vertex attributes. To define the coordinate vectors we employ our recently proposed algorithm based on an adaptive AMG (Algebraic MultiGrid) method, which identifies the coordinate directions in the embedding Euclidean space in terms of algebraically smooth vectors with respect to the augmented graph Laplacian, and thus extending our previous result for graphs without attributes. We analyze the effectiveness of our proposed clustering method by comparison with some well known methods, whose software implementation is freely available, and also with results reported in the literature, on two different types of widely used synthetic graphs and on some real-world attributed graphs.

The behavior of semiflexible polymers under external fields is numerically studied.

This study aimed at updating previous data on HIV-1 integrase variability, by using effective bioinformatics methods combining different statistical instruments from simple entropy and mutation rate to more specific approaches such as Hellinger distance. A total of 2133 HIV-1 integrase sequences were analyzed in: i) 1460 samples from drug-naïve [DN] individuals; ii) 386 samples from drug-experienced but INI-naïve [IN] individuals; iii) 287 samples from INI-experienced [IE] individuals. Within the three groups, 76 amino acid positions were highly conserved (<=0.2% variation, Hellinger distance: <0.25%), with 35 fully invariant positions; while, 80 positions were conserved (>0.2% to <1% variation, Hellinger distance: <1%). The H12-H16-C40-C43 and D64-D116-E152 motifs were all well conserved. Some residues were affected by dramatic changes in their mutation distributions, especially between DN and IE samples (Hellinger distance >=1%). In particular, 15 positions (D6, S24, V31, S39, L74, A91, S119, T122, T124, T125, V126, K160, N222, S230, C280) showed a significant decrease of mutation rate in IN and/or IE samples compared to DN samples. Conversely, 8 positions showed significantly higher mutation rate in samples from treated individuals (IN and/or IE) compared to DN. Some of these positions, such as E92, T97, G140, Y143, Q148 and N155, were already known to be associated with resistance to integrase inhibitors; other positions including S24, M154, V165 and D270 are not yet documented to be associated with resistance. Our study confirms the high conservation of HIV-1 integrase and identified highly invariant positions using robust and innovative methods. The role of novel mutations located in the critical region of HIV-1 integrase deserves further investigation.

The aim of this talk is to show how de la Vallee Poussin type interpolation based on Chebyshev zeros of rst kind, can be applied to resize an arbitrary color digital image. In fact, using such kind of approximation, we get an image scaling method running for any desired scaling factor or size, in both downscaling and upscaling. The peculiarities and the performance of such method will be discussed.

In this paper, we study a dynamically consistent numerical method for the approximationof a nonlinear integro-differential equation modeling an epidemic with age of infection. The discretescheme is based on direct quadrature methods with Gregory convolution weights and preserves,with no restrictive conditions on the step-length of integration h, some of the essential properties ofthe continuous system. In particular, the numerical solution is positive and bounded and, in casesof interest in applications, it is monotone. We prove an order of convergence theorem and show bynumerical experiments that the discrete final size tends to its continuous equivalent as h tends to zero.

In this study we investigated the transcriptome and epigenome dynamics of the tomato fruit during post-harvest in a landracebelonging to a group of tomatoes (Solanum lycopersicum L.) collectively known as "Piennolo del Vesuvio", all characterized by a long shelflife. Expression of protein-coding genes and microRNAs as well as DNA methylation patterns and histone modifications were analysedin distinct post-harvest phases. Multi-omics data integration contributed to the elucidation of the molecular mechanisms underlyingprocesses leading to long shelf-life. We unveiled global changes in transcriptome and epigenome. DNA methylation increased and therepressive histone mark H3K27me3 was lost as the fruit progressed from red ripe to 150 days post-harvest. Thousands of genes weredifferentially expressed, about half of which were potentially epi-regulated as they were engaged in at least one epi-mark change inaddition to being microRNA targets in ~5% of cases. Down-regulation of the ripening regulator MADS-RIN and of genes involved inethylene response and cell wall degradation was consistent with the delayed fruit softening. Large-scale epigenome reprogrammingthat occurred in the fruit during post-harvest likely contributed to delayed fruit senescence.

A conclusione del primo ciclo di seminari AIM - Artificial Intelligence and Mathematics, svolti nel 2021 totalmente in streaming, a causa dell'emergenza pandemica, questo rapporto tecnico si interroga sull'efficacia generale dei seminari scientifici online. Mediante la presentazione di una breve indagine tra i ricercatori dell'IAC e l'analisi della letteratura sull'argomento, il report considera prospettive, vantaggi e svantaggi - per la comunità dei ricercatori - dell'utilizzo della modalità telematica nell'organizzazione dei workshop.Partendo poi dalle performance, in termini di pubblico, dei vari seminari, vengono analizzate le modalità di comunicazione e promozione delle diverse giornate del ciclo di seminari AIM, al fine di comprendere se ci sia una connessione tra il numero di spettatori (in diretta e in differita) e la loro promozione sui canali social - Facebook, Twitter e Instagram - dell'istituto.

TBX1 is a key regulator of pharyngeal apparatus (PhAp) development. Vitamin B12 (vB12) treatment partially rescues aortic arch patterning defects of Tbx1+/- embryos. Here, we show that it also improves cardiac outflow tract septation and branchiomeric muscle anomalies of Tbx1 hypomorphic mutants. At the molecular level, in vivo vB12 treatment enabled us to identify genes that were dysregulated by Tbx1 haploinsufficiency and rescued by treatment. We found that SNAI2, also known as SLUG, encoded by the rescued gene Snai2, identified a population of mesodermal cells that was partially overlapping with, but distinct from, ISL1+ and TBX1+ populations. In addition, SNAI2+ cells were mislocalized and had a greater tendency to aggregate in Tbx1+/- and Tbx1-/- embryos, and vB12 treatment restored cellular distribution. Adjacent neural crest-derived mesenchymal cells, which do not express TBX1, were also affected, showing enhanced segregation from cardiopharyngeal mesodermal cells. We propose that TBX1 regulates cell distribution in the core mesoderm and the arrangement of multiple lineages within the PhAp.

We propose and analyze a class of vectorial crystallization problems, with applications to crystallization of anisotropic molecules and collective behavior such as birds flocking and fish schooling. We focus on two-dimensional systems of "oriented" particles: Admissible configurations are represented by vectorial empirical measures with density in S-1. We endow such configurations with a graph structure, where the bonds represent the "convenient" interactions between particles, and the proposed variational principle consists in maximizing their number. The class of bonds is determined by hard sphere type pairwise potentials, depending both on the distance between the particles and on the angles between the segment joining two particles and their orientations, through threshold criteria. Different ground states emerge by tuning the angular dependence in the potential, mimicking ducklings swimming in a row formation and predicting as well, for some specific values of the angular parameter, the so-called diamond formation in fish schooling.

We describe the emergence of topological singularities in periodic media within the Ginzburg-Landau model and the core-radius approach. The energy functionals of both models are denoted by E, where ? represent the coherence length (in the Ginzburg-Landau model) or the core-radius size (in the core-radius approach) and ? denotes the periodicity scale. We carry out the ? -convergence analysis of E as ?-> 0 and ?= ?-> 0 in the | log ?| scaling regime, showing that the ? -limit consists in the energy cost of finitely many vortex-like point singularities of integer degree. After introducing the scale parameter ?=min{1,lim?->0|log??||log?|}(upon extraction of subsequences), we show that in a sense we always have a separation-of-scale effect: at scales smaller than ? we first have a concentration process around some vortices whose location is subsequently optimized, while for scales larger than ? the concentration process takes place "after" homogenization.

The sedimentation process in an active suspension is the result of the competition between gravity and the autonomous motion of particles. We carry out simulations of run-and-tumble squirmers that move in a fluid medium, focusing on the dependence of the non-equilibrium steady state on the swimming properties. We find that for large enough activity, the density profiles are no longer simple exponentials; we recover the numerical results through the introduction of a local effective temperature, suggesting that the breakdown of the Perrin-like exponential form is a collective effect due to fluid-mediated dynamic correlations among particles. We show that analogous concepts can also fit the case of active non-motile particles, for which we report the first study of this kind. Moreover, we provide evidence of scenarios where the solvent hydrodynamics induces non-local effects which require the full three-dimensional dynamics to be taken into account in order to understand sedimentation in active suspensions. Finally, analyzing the statistics of the orientations of microswimmers, the emergence of a height-dependent polar order in the system is discussed.

Switchable and adaptive substrates emerged as valuable tools for the control of wetting and actuation of droplet motion. Here we report a computational study of the dynamics of an unstable thin liquid film deposited on a switchable substrate, modelled with a space and time varying contact angle. With a static pattern, all the fluid is drained into droplets located around contact angle minima, whereas for a sufficiently large rate of wettability variation a state consisting of metastable rivulets is observed. A criterion discriminating whether rivulets can be observed or not is identified in terms of a single dimensionless parameter. Finally, we show and explain theoretically how the film rupture times, droplet shape and rivulet life time depend on the pattern wavelength and speed.

This work analyzes trajectories obtained by YOLO and DeepSORT algorithms of dense emulsion systems simulated via lattice Boltzmann methods. The results indicate that the individual droplet's moving direction is influenced more by the droplets immediately behind it than the droplets in front of it. The analysis also provide hints on constraints of a dynamical model of droplets for the dense emulsion in narrow channels.