Evolutionary Multi-Objective Design of SARS-CoV-2 Protease Inhibitor Candidates

Computational drug design based on artificial intelligence is an emerging research area. At the time of writing this paper, the world suffers from an outbreak of the coronavirus SARS-CoV-2. A promising way to stop the virus replication is via protease inhibition. We propose an evolutionary multi-objective algorithm (EMOA) to design potential protease inhibitors for SARS-CoV-2's main protease. Based on the SELFIES representation the EMOA maximizes the binding of candidate ligands to the protein using the docking tool QuickVina 2, while at the same time taking into account further objectives like drug-likeliness or the fulfillment of filter constraints. The experimental part analyzes the evolutionary process and discusses the inhibitor candidates.Comment: 15 pages, 7 figures, submitted to PPSN 202

Building with Drones: Accurate 3D Facade Reconstruction using MAVs

Automatic reconstruction of 3D models from images using multi-view Structure-from-Motion methods has been one of the most fruitful outcomes of computer vision. These advances combined with the growing popularity of Micro Aerial Vehicles as an autonomous imaging platform, have made 3D vision tools ubiquitous for large number of Architecture, Engineering and Construction applications among audiences, mostly unskilled in computer vision. However, to obtain high-resolution and accurate reconstructions from a large-scale object using SfM, there are many critical constraints on the quality of image data, which often become sources of inaccuracy as the current 3D reconstruction pipelines do not facilitate the users to determine the fidelity of input data during the image acquisition. In this paper, we present and advocate a closed-loop interactive approach that performs incremental reconstruction in real-time and gives users an online feedback about the quality parameters like Ground Sampling Distance (GSD), image redundancy, etc on a surface mesh. We also propose a novel multi-scale camera network design to prevent scene drift caused by incremental map building, and release the first multi-scale image sequence dataset as a benchmark. Further, we evaluate our system on real outdoor scenes, and show that our interactive pipeline combined with a multi-scale camera network approach provides compelling accuracy in multi-view reconstruction tasks when compared against the state-of-the-art methods.Comment: 8 Pages, 2015 IEEE International Conference on Robotics and Automation (ICRA '15), Seattle, WA, US

Thermal Transients in District Heating Systems

Heat fluxes in a district heating pipeline systems need to be controlled on the scale from minutes to an hour to adjust to evolving demand. There are two principal ways to control the heat flux - keep temperature fixed but adjust velocity of the carrier (typically water) or keep the velocity flow steady but then adjust temperature at the heat producing source (heat plant). We study the latter scenario, commonly used for operations in Russia and Nordic countries, and analyze dynamics of the heat front as it propagates through the system. Steady velocity flows in the district heating pipelines are typically turbulent and incompressible. Changes in the heat, on either consumption or production sides, lead to slow transients which last from tens of minutes to hours. We classify relevant physical phenomena in a single pipe, e.g. turbulent spread of the turbulent front. We then explain how to describe dynamics of temperature and heat flux evolution over a network efficiently and illustrate the network solution on a simple example involving one producer and one consumer of heat connected by "hot" and "cold" pipes. We conclude the manuscript motivating future research directions.Comment: 31 pages, 7 figure

ROAM: a Rich Object Appearance Model with Application to Rotoscoping

Rotoscoping, the detailed delineation of scene elements through a video shot, is a painstaking task of tremendous importance in professional post-production pipelines. While pixel-wise segmentation techniques can help for this task, professional rotoscoping tools rely on parametric curves that offer the artists a much better interactive control on the definition, editing and manipulation of the segments of interest. Sticking to this prevalent rotoscoping paradigm, we propose a novel framework to capture and track the visual aspect of an arbitrary object in a scene, given a first closed outline of this object. This model combines a collection of local foreground/background appearance models spread along the outline, a global appearance model of the enclosed object and a set of distinctive foreground landmarks. The structure of this rich appearance model allows simple initialization, efficient iterative optimization with exact minimization at each step, and on-line adaptation in videos. We demonstrate qualitatively and quantitatively the merit of this framework through comparisons with tools based on either dynamic segmentation with a closed curve or pixel-wise binary labelling