Virtual-to-Real-World Transfer Learning for Robots on Wilderness Trails

Robots hold promise in many scenarios involving outdoor use, such as search-and-rescue, wildlife management, and collecting data to improve environment, climate, and weather forecasting. However, autonomous navigation of outdoor trails remains a challenging problem. Recent work has sought to address this issue using deep learning. Although this approach has achieved state-of-the-art results, the deep learning paradigm may be limited due to a reliance on large amounts of annotated training data. Collecting and curating training datasets may not be feasible or practical in many situations, especially as trail conditions may change due to seasonal weather variations, storms, and natural erosion. In this paper, we explore an approach to address this issue through virtual-to-real-world transfer learning using a variety of deep learning models trained to classify the direction of a trail in an image. Our approach utilizes synthetic data gathered from virtual environments for model training, bypassing the need to collect a large amount of real images of the outdoors. We validate our approach in three main ways. First, we demonstrate that our models achieve classification accuracies upwards of 95% on our synthetic data set. Next, we utilize our classification models in the control system of a simulated robot to demonstrate feasibility. Finally, we evaluate our models on real-world trail data and demonstrate the potential of virtual-to-real-world transfer learning.Comment: iROS 201

Crystal structure prediction of flexible pharmaceutical-like molecules: Density functional tight-binding as an intermediate optimization method and for free energy estimation

Successful methodologies for theoretical crystal structure prediction (CSP) on flexible pharmaceutical-like organic molecules explore the lattice energy surface to find a set of plausible crystal structures. The initial search stage of CSP studies uses a relatively simple lattice energy approximation as hundreds of thousands of minima have to be considered. These generated crystal structures often have poor molecular geometries, as well as inaccurate lattice-energy rankings, and performing reasonably accurate but computationally affordable optimisations of the crystal structures generated in a search would be highly desirable. Here, we seek to explore whether semi-empirical quantum-mechanical methods can perform this task. We employed the dispersion-corrected tight-binding Hamiltonian (DFTB3-D3) to relax all inter and intra-molecular degrees of freedom of several thousands of generated crystal structures of five pharmaceutical-like molecules, saving a large amount of computational effort compared to earlier studies. The computational cost scales better with molecular size and flexibility than other CSP methods, suggesting it could be extended to even larger and more flexible molecules. On average, this optimisation improved the average reproduction of the eight experimental crystal structures (RMSD15 ) and experimental conformers (RMSD1) by 4% and 23%, respectively. The intermolecular interactions were then further optimised using distributed multipoles, derived from the molecular wave-function, to accurately describe the electrostatic component of the intermolecular energy. In all cases, the experimental crystal structures are close to the top of the lattice energy ranking. Phonon calculations on some of the lowest energy structures were also performed with DFTB3-D3 methods to calculate the vibrational component of the Helmholtz free energy, providing further insights into the solid-state behaviour of the target molecules. We conclude that DFTB3-D3 is a cost-effective method for optimising flexible molecules, bridging the gap between the approximate methods used in CSP searches for generating crystal structures and more accurate methods required in the final energy ranking

GIANO-TNG spectroscopy of red supergiants in the young star cluster RSGC3

The Scutum complex in the inner disk of the Galaxy has a number of young star clusters dominated by red supergiants that are heavily obscured by dust extinction and observable only at infrared wavelengths. These clusters are important tracers of the recent star formation and chemical enrichment history in the inner Galaxy. During the technical commissioning and as a first science verification of the GIANO spectrograph at the Telescopio Nazionale Galileo, we secured high-resolution (R=50,000) near-infrared spectra of five red supergiants in the young Scutum cluster RSGC3. Taking advantage of the full YJHK spectral coverage of GIANO in a single exposure, we were able to measure several tens of atomic and molecular lines that were suitable for determining chemical abundances. By means of spectral synthesis and line equivalent width measurements, we obtained abundances of Fe and iron-peak elements such as Ni, Cr, and Cu, alpha (O, Mg, Si, Ca, Ti), other light elements (C, N, F, Na, Al, and Sc), and some s-process elements (Y, Sr). We found average half-solar iron abundances and solar-scaled [X/Fe] abundance patterns for most of the elements, consistent with a thin-disk chemistry. We found depletion of [C/Fe] and enhancement of [N/Fe], consistent with standard CN burning, and low 12C/13C abundance ratios (between 9 and 11), which require extra-mixing processes in the stellar interiors during the post-main sequence evolution. We also found local standard of rest V(LSR)=106 km/s and heliocentric V(HEL)=90 km/s radial velocities with a dispersion of 2.3 km/s. The inferred radial velocities, abundances, and abundance patterns of RSGC3 are very similar to those previously measured in the other two young clusters of the Scutum complex, RSGC1 and RSGC2, suggesting a common kinematics and chemistry within the Scutum complex

A NOVEL FUSION 5'AFF3/3'BCL2 ORIGINATED FROM A t(2;18)(Q11.2-Q21.33) TRANSLOCATION IN FOLLICULAR LYMPHOMA

Follicular lymphoma is the second most frequent type of non-Hodgkin's lymphoma in adults. The basic molecular defect consists of the t(14;18)(q32;q21) translocation, juxtaposing the B-cell lymphoma protein 2 gene BCL2 to the immunoglobulin heavy chain locus IGH@, and leading to the antiapoptotic BCL2 protein overproduction. Variations in the t(14;18) are rare and can be classified into two categories: (i) simple variants, involving chromosomes 18 and 2, or 22, in which the fusion partner of BCL2 is the light-chain IGK@ or IGL@; (ii) complex variant translocations occurring among chromosomes 14, 18 and other chromosomes. We report a follicular lymphoma case showing BCL2 overexpression, detected by immunohistochemistry and real-time quantitative PCR, consequently to the formation of a novel fusion gene between the 5' of the lymphoid nuclear transcriptional activator gene AFF3 at 2q11.2, and the 3' of BCL2. This case shows evidence, for the first time, of BCL2 overexpression consequently to the fusion of BCL2 to a non-IG partner locus

Lines and continuum sky emission in the near infrared: observational constraints from deep high spectral resolution spectra with GIANO-TNG

Aims Determining the intensity of lines and continuum airglow emission in the H-band is important for the design of faint-object infrared spectrographs. Existing spectra at low/medium resolution cannot disentangle the true sky-continuum from instrumental effects (e.g. diffuse light in the wings of strong lines). We aim to obtain, for the first time, a high resolution infrared spectrum deep enough to set significant constraints on the continuum emission between the lines in the H-band. Methods During the second commissioning run of the GIANO high-resolution infrared spectrograph at La Palma Observatory, we pointed the instrument directly to the sky and obtained a deep spectrum that extends from 0.97 to 2.4 micron. Results The spectrum shows about 1500 emission lines, a factor of two more than in previous works. Of these, 80% are identified as OH transitions; half of these are from highly excited molecules (hot-OH component) that are not included in the OH airglow emission models normally used for astronomical applications. The other lines are attributable to O2 or unidentified. Several of the faint lines are in spectral regions that were previously believed to be free of line emission. The continuum in the H-band is marginally detected at a level of about 300 photons/m^2/s/arcsec^2/micron, equivalent to 20.1 AB-mag/arcsec^2. The observed spectrum and the list of observed sky-lines are published in electronic format. Conclusions Our measurements indicate that the sky continuum in the H-band could be even darker than previously believed. However, the myriad of airglow emission lines severely limits the spectral ranges where very low background can be effectively achieved with low/medium resolution spectrographs. We identify a few spectral bands that could still remain quite dark at the resolving power foreseen for VLT-MOONS (R ~6,600).Comment: 7 pages, 4 figures, to be published in Astronomy & Astrophysic

Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction

A conformational polymorph (γ) of succinic acid was discovered in an attempt to purify a leucine dipeptide by cocrystallization from a methanol solution in the presence of various impurities, such as trifluoroacetic acid. The new γ form was found to have crystallized concomitantly with the most stable β form. In light of this situation, a crystal structure prediction study was undertaken to examine the polymorph landscape. These studies reveal that the γ polymorph is thermodynamically competitive with the other observed polymorphs; having a more stable folded conformation than the planar crystalline conformation in the β form, but being stabilized less by the intermolecular interactions. Simulations and experiment show that the folded conformation is dominant in solution, but that trapping long-lived crystals of the new metastable polymorph may be challenging. Thus the γ polymorph provides a stringent test of theories for predicting which thermodynamically plausible structures may be practically important polymorphs

The fiber-fed preslit of GIANO at T.N.G

Giano is a Cryogenic Spectrograph located in T.N.G. (Spain) and commisioned in 2013. It works in the range 950-2500 nm with a resolving power of 50000. This instrument was designed and built for direct feeding from the telescope [2]. However, due to constraints imposed on the telescope interfacing during the pre-commissioning phase, it had to be positioned on the rotating building, far from the telescope focus. Therefore, a new interface to the telescope, based on IR-transmitting ZBLAN fibers with 85\mu m core, was developed.Originally designed to work directly at the $f/11$ nasmyth focus of the telescope, in 2011 it has decided to use a fiber to feed it. The beam from the telescope is focused on a double fiber boundle by a Preslit Optical Bench attached to the Nasmith A interface of the telescope. This Optical Bench contains the fiber feeding system and other important features as a guiding system, a fiber viewer, a fiber feed calibration lamp and a nodding facility between the two fibers. The use of two fibers allow us to have in the echellogram two spectrograms side by side in the same acquisition: one of the star and the other of the sky or simultaneously to have the star and a calibration lamp. Before entering the cryostat the light from the fiber is collectd by a second Preslit Optical Bench attached directly to the Giano cryostat: on this bench the correct f-number to illuminate the cold stop is generated and on the same bench is placed an image slicer to increase the efficiency of the system.Comment: 21 pages, 24 figures, 3 tables. Presented at SPIE Astronomical Telescope + Instrumentation 2014 (Ground-based and Airbone Instrumentation for Astronomy 5, 9147-360). To be published in Proceeding of SPIE Volume 914