The En-route Descent Advisor (EDA) is a set of decision support tool (DST) capabilities for managing complex en route traffic subject to metering restrictions. The goal is to enable controller procedures to evolve from today’s emphasis on sector management towards procedures more oriented towards trajectory management. EDA will help controllers transition traffic from a “Free Flight” (minimally...

Water is a small molecule that nevertheless perturbs, sometimes significantly, the electronic properties of an enzyme's active site. In this study, interactions of a water molecule with the ferric heme and the compound I (Cpd I) intermediate of cytochrome P450 are studied. Energy decomposition analysis (EDA) schemes are used to investigate the physical origins of these interactions. Localized m...

Estimation of Distribution Algorithms (EDAs) require flexible probability models that can be efficiently learned and sampled. Deep Boltzmann Machines (DBMs) are generative neural networks with these desired properties. We integrate a DBM into an EDA and evaluate the performance of this system in solving combinatorial optimization problems with a single objective. We compare the results to the B...

Ectodermal dysplasia (ED) represents a collection of rare disorders that result from a failure of development of the tissues derived from the embryonic ectoderm. ED is often associated with hair, teeth, and skin abnormalities, which are serious conditions affecting the quality of life of the patient. To date, a large number of genes have been found to be associated with this syndrome. Here, we ...

Protein structure prediction (PSP) is one of the most important problems in computational biology. This chapter introduces a novel hybrid Estimation of Distribution Algorithm (EDA) to solve the PSP problem on HP model. Firstly, a composite fitness function containing the information of folding structure core (H-Core) is introduced to replace the traditional fitness function of HP model. The new...

Quantum chemistry in the form of density functional theory (DFT) calculations is a powerful numerical experiment for predicting intermolecular interaction energies. However, no chemical insight gained this way beyond predictions observables. Energy decomposition analysis (EDA) can quantitatively bridge gap by providing values drivers interactions, such as permanent electrostatics, Pauli repulsi...

This paper introduces a new hybrid evolutionary algorithm (EA) for continuous global optimization problems, called estimation of distribution algorithm with local search (EDA/L). Like other EAs, EDA/L maintains and improves a population of solutions in the feasible region. Initial candidate solutions are generated by uniform design, these solutions evenly scatter over the feasible solution regi...

This paper presents a freeware EDA framework for teaching mixed-mode full-custom VLSI design. The proposed set of EDA tools and associated physical design kit (PDK) allows students to gain handson experience on ASIC design tasks covering schematic entry, both at system and circuit levels, HDL system simulation and block specification, automatic circuit optimization, PCell-based layout, physical...

Abstraet---Ethylenediamine (EDA) is adsorbed from aqueous solution on Na-, Kand Li-montmorillonite as the monoprotonated cation (EDAH +) through an ion-exchange process. On washing with distilled water the second amine function is protonated--probably through dissocmtion of water near the clay surface--and simultaneously formed alkali hydroxide is removed. In air-dried clay films, prepared from...

Estimation of Distribution Algorithms (EDAs) require flexible probability models that can be efficiently learned and sampled. Restricted Boltzmann Machines (RBMs) are generative neural networks with these desired properties. We integrate an RBM into an EDA and evaluate the performance of this system in solving combinatorial optimization problems with a single objective. We assess how the number...