Optimization of the Ion Source-Mass Spectrometry Parameters in Non-Steroidal Anti-Inflammatory and Analgesic Pharmaceuticals Analysis by a Design of Experiments Approach

The flow rates of drying and nebulizing gas, heat block and desolvation line temperatures and interface voltage are potential electrospray ionization parameters as they may enhance sensitivity of the mass spectrometer. The conditions that give higher sensitivity of 13 pharmaceuticals were explored. First, Plackett-Burman design was implemented to screen significant factors, and it was concluded that interface voltage and nebulizing gas flow were the only factors that influence the intensity signal for all pharmaceuticals. This fractionated factorial design was projected to set a full 2(2) factorial design with center points. The lack-of-fit test proved to be significant. Then, a central composite face-centered design was conducted. Finally, a stepwise multiple linear regression and subsequently an optimization problem solving were carried out. Two main drug clusters were found concerning the signal intensities of all runs of the augmented factorial design. p-Aminophenol, salicylic acid, and nimesulide constitute one cluster as a result of showing much higher sensitivity than the remaining drugs. The other cluster is more homogeneous with some sub-clusters comprising one pharmaceutical and its respective metabolite. It was observed that instrumental signal increased when both significant factors increased with maximum signal occurring when both codified factors are set at level +1. It was also found that, for most of the pharmaceuticals, interface voltage influences the intensity of the instrument more than the nebulizing gas flowrate. The only exceptions refer to nimesulide where the relative importance of the factors is reversed and still salicylic acid where both factors equally influence the instrumental signal. Graphical Abstract ᅟ.

Exact solutions to the short sea shipping distribution problem

Short sea shipping has several advantages over other means of transportation, recognized by EU members. The maritime transportation could be dealt like a combination of two well-known problems: the container stowage problem and routing planning problem. The integration of these two well-known problems results in a new problem CSSRP (Container stowage and ship routing problem) that is also an hard combinatorial optimization problem. The aim of this work is to solve the CSSRP using a mixed integer programming model. It is proved that regardless the complexity of this problem, optimal solutions could be achieved in a reduced computational time. For testing the mathematical model some problems based on real data were generated and a sensibility analysis was performed.

Tabu search for the cyclic bandwidth problem

International audience

ADVERTISEMENT ALLOCATION AND TRUST MECHANISMS DESIGN IN SOCIAL NETWORKS

Social network sites (SNS), such as Facebook, Google+ and Twitter, have attracted hundreds of millions of users daily since their appearance. Within SNS, users connect to each other, express their identity, disseminate information and form cooperation by interacting with their connected peers. The increasing popularity and ubiquity of SNS usage and the invaluable user behaviors and connections give birth to many applications and business models. We look into several important problems within the social network ecosystem. The first one is the SNS advertisement allocation problem. The other two are related to trust mechanisms design in social network setting, including local trust inference and global trust evaluation. In SNS advertising, we study the problem of advertisement allocation from the ad platform's angle, and discuss its differences with the advertising model in the search engine setting. By leveraging the connection between social networks and hyperbolic geometry, we propose to solve the problem via approximation using hyperbolic embedding and convex optimization. A hyperbolic embedding method, \hcm, is designed for the SNS ad allocation problem, and several components are introduced to realize the optimization formulation. We show the advantages of our new approach in solving the problem compared to the baseline integer programming (IP) formulation. In studying the problem of trust mechanisms in social networks, we consider the existence of distrust (i.e. negative trust) relationships, and differentiate between the concept of local trust and global trust in social network setting. In the problem of local trust inference, we propose a 2-D trust model. Based on the model, we develop a semiring-based trust inference framework. In global trust evaluation, we consider a general setting with conflicting opinions, and propose a consensus-based approach to solve the complex problem in signed trust networks.

Iterated responsive threshold search for the quadratic multiple knapsack problem

International audience

JOINT ENERGY BEAMFORMING AND TIME ASSIGNMENT FOR COOPERATIVE WIRELESS POWERED NETWORKS

Wireless power transfer (WPT) and radio frequency (RF)-based energy har- vesting arouses a new wireless network paradigm termed as wireless powered com- munication network (WPCN), where some energy-constrained nodes are enabled to harvest energy from the RF signals transferred by other energy-sufficient nodes to support the communication operations in the network, which brings a promising approach for future energy-constrained wireless network design. In this paper, we focus on the optimal WPCN design. We consider a net- work composed of two communication groups, where the first group has sufficient power supply but no available bandwidth, and the second group has licensed band- width but very limited power to perform required information transmission. For such a system, we introduce the power and bandwidth cooperation between the two groups so that both group can accomplish their expected information delivering tasks. Multiple antennas are employed at the hybrid access point (H-AP) to en- hance both energy and information transfer efficiency and the cooperative relaying is employed to help the power-limited group to enhance its information transmission throughput. Compared with existing works, cooperative relaying, time assignment, power allocation, and energy beamforming are jointly designed in a single system. Firstly, we propose a cooperative transmission protocol for the considered system, where group 1 transmits some power to group 2 to help group 2 with information transmission and then group 2 gives some bandwidth to group 1 in return. Sec- ondly, to explore the information transmission performance limit of the system, we formulate two optimization problems to maximize the system weighted sum rate by jointly optimizing the time assignment, power allocation, and energy beamforming under two different power constraints, i.e., the fixed power constraint and the aver- age power constraint, respectively. In order to make the cooperation between the two groups meaningful and guarantee the quality of service (QoS) requirements of both groups, the minimal required data rates of the two groups are considered as constraints for the optimal system design. As both problems are non-convex and have no known solutions, we solve it by using proper variable substitutions and the semi-definite relaxation (SDR). We theoretically prove that our proposed solution method can guarantee to find the global optimal solution. Thirdly, consider that the WPCN has promising application potentials in future energy-constrained net- works, e.g., wireless sensor network (WSN), wireless body area network (WBAN) and Internet of Things (IoT), where the power consumption is very critical. We investigate the minimal power consumption optimal design for the considered co- operation WPCN. For this, we formulate an optimization problem to minimize the total consumed power by jointly optimizing the time assignment, power allocation, and energy beamforming under required data rate constraints. As the problem is also non-convex and has no known solutions, we solve it by using some variable substitutions and the SDR method. We also theoretically prove that our proposed solution method for the minimal power consumption design guarantees the global optimal solution. Extensive experimental results are provided to discuss the system performance behaviors, which provide some useful insights for future WPCN design. It shows that the average power constrained system achieves higher weighted sum rate than the fixed power constrained system. Besides, it also shows that in such a WPCN, relay should be placed closer to the multi-antenna H-AP to achieve higher weighted sum rate and consume lower total power.

Robust solutions of bi-blend recipe optimization with quadratic constraints

Production companies use raw materials to compose end-products. They often make different products with the same raw materials. In this research, the focus lies on the production of two end-products consisting of (partly) the same raw materials as cheap as possible. Each of the products has its own demand and quality requirements consisting of quadratic constraints. The minimization of the costs, given the quadratic constraints is a global optimization problem, which can be difficult because of possible local optima. Therefore, the multi modal character of the (bi-) blend problem is investigated. Standard optimization packages (solvers) in Matlab and GAMS were tested on their ability to solve the problem. In total 20 test cases were generated and taken from literature to test solvers on their effectiveness and efficiency to solve the problem. The research also gives insight in adjusting the quadratic constraints of the problem in order to make a robust problem formulation of the bi-blend problem.

Kinematics and Local Motion Planning for Quasi-static Whole-body Mobile Manipulation

This thesis studies mobile robotic manipulators, where one or more robot manipulator arms are integrated with a mobile robotic base. The base could be a wheeled or tracked vehicle, or it might be a multi-limbed locomotor. As robots are increasingly deployed in complex and unstructured environments, the need for mobile manipulation increases. Mobile robotic assistants have the potential to revolutionize human lives in a large variety of settings including home, industrial and outdoor environments.

Mobile Manipulation is the use or study of such mobile robots as they interact with physical objects in their environment. As compared to fixed base manipulators, mobile manipulators can take advantage of the base mechanism’s added degrees of freedom in the task planning and execution process. But their use also poses new problems in the analysis and control of base system stability, and the planning of coordinated base and arm motions. For mobile manipulators to be successfully and efficiently used, a thorough understanding of their kinematics, stability, and capabilities is required. Moreover, because mobile manipulators typically possess a large number of actuators, new and efficient methods to coordinate their large numbers of degrees of freedom are needed to make them practically deployable. This thesis develops new kinematic and stability analyses of mobile manipulation, and new algorithms to efficiently plan their motions.

I first develop detailed and novel descriptions of the kinematics governing the operation of multi- limbed legged robots working in the presence of gravity, and whose limbs may also be simultaneously used for manipulation. The fundamental stance constraint that arises from simple assumptions about friction and the ground contact and feasible motions is derived. Thereafter, a local relationship between joint motions and motions of the robot abdomen and reaching limbs is developed. Baseeon these relationships, one can define and analyze local kinematic qualities including limberness, wrench resistance and local dexterity. While previous researchers have noted the similarity between multi- fingered grasping and quasi-static manipulation, this thesis makes explicit connections between these two problems.

The kinematic expressions form the basis for a local motion planning problem that that determines the joint motions to achieve several simultaneous objectives while maintaining stance stability in the presence of gravity. This problem is translated into a convex quadratic program entitled the balanced priority solution, whose existence and uniqueness properties are developed. This problem is related in spirit to the classical redundancy resoxlution and task-priority approaches. With some simple modifications, this local planning and optimization problem can be extended to handle a large variety of goals and constraints that arise in mobile-manipulation. This local planning problem applies readily to other mobile bases including wheeled and articulated bases. This thesis describes the use of the local planning techniques to generate global plans, as well as for use within a feedback loop. The work in this thesis is motivated in part by many practical tasks involving the Surrogate and RoboSimian robots at NASA/JPL, and a large number of examples involving the two robots, both real and simulated, are provided.

Finally, this thesis provides an analysis of simultaneous force and motion control for multi- limbed legged robots. Starting with a classical linear stiffness relationship, an analysis of this problem for multiple point contacts is described. The local velocity planning problem is extended to include generation of forces, as well as to maintain stability using force-feedback. This thesis also provides a concise, novel definition of static stability, and proves some conditions under which it is satisfied.

Dynamic Multi-Objective Optimization With jMetal and Spark: a Case Study

Technologies for Big Data and Data Science are receiving increasing research interest nowadays. This paper introduces the prototyping architecture of a tool aimed to solve Big Data Optimization problems. Our tool combines the jMetal framework for multi-objective optimization with Apache Spark, a technology that is gaining momentum. In particular, we make use of the streaming facilities of Spark to feed an optimization problem with data from different sources. We demonstrate the use of our tool by solving a dynamic bi-objective instance of the Traveling Salesman Problem (TSP) based on near real-time traffic data from New York City, which is updated several times per minute. Our experiment shows that both jMetal and Spark can be integrated providing a software platform to deal with dynamic multi-optimization problems.

Design Optimization of Nozzle Shapes for Maximum Uniformity of Exit Flow

The objective of this study is to identify the optimal designs of converging-diverging supersonic and hypersonic nozzles that perform at maximum uniformity of thermodynamic and flow-field properties with respect to their average values at the nozzle exit. Since this is a multi-objective design optimization problem, the design variables used are parameters defining the shape of the nozzle. This work presents how variation of such parameters can influence the nozzle exit flow non-uniformities. A Computational Fluid Dynamics (CFD) software package, ANSYS FLUENT, was used to simulate the compressible, viscous gas flow-field in forty nozzle shapes, including the heat transfer analysis. The results of two turbulence models, k-e and k-ω, were computed and compared. With the analysis results obtained, the Response Surface Methodology (RSM) was applied for the purpose of performing a multi-objective optimization. The optimization was performed with ModeFrontier software package using Kriging and Radial Basis Functions (RBF) response surfaces. Final Pareto optimal nozzle shapes were then analyzed with ANSYS FLUENT to confirm the accuracy of the optimization process.

Cálculo de constantes ópticas de películas delgadas de Cu3BiS3 a través del método de Wolfe

Se calculó la obtención de las constantes ópticas usando el método de Wolfe. Dichas contantes: coeficiente de absorción (α), índice de refracción (n) y espesor de una película delgada (d ), son de importancia en el proceso de caracterización óptica del material. Se realizó una comparación del método del Wolfe con el método empleado por R. Swanepoel. Se desarrolló un modelo de programación no lineal con restricciones, de manera que fue posible estimar las constantes ópticas de películas delgadas semiconductoras, a partir únicamente, de datos de transmisión conocidos. Se presentó una solución al modelo de programación no lineal para programación cuadrática. Se demostró la confiabilidad del método propuesto, obteniendo valores de α = 10378.34 cm−1, n = 2.4595, d =989.71 nm y Eg = 1.39 Ev, a través de experimentos numéricos con datos de medidas de transmitancia espectral en películas delgadas de Cu3BiS3.

Unsupervised reinforcement learning via state entropy maximization

Reinforcement Learning (RL) provides a powerful framework to address sequential decision-making problems in which the transition dynamics is unknown or too complex to be represented. The RL approach is based on speculating what is the best decision to make given sample estimates obtained from previous interactions, a recipe that led to several breakthroughs in various domains, ranging from game playing to robotics. Despite their success, current RL methods hardly generalize from one task to another, and achieving the kind of generalization obtained through unsupervised pre-training in non-sequential problems seems unthinkable. Unsupervised RL has recently emerged as a way to improve generalization of RL methods. Just as its non-sequential counterpart, the unsupervised RL framework comprises two phases: An unsupervised pre-training phase, in which the agent interacts with the environment without external feedback, and a supervised fine-tuning phase, in which the agent aims to efficiently solve a task in the same environment by exploiting the knowledge acquired during pre-training. In this thesis, we study unsupervised RL via state entropy maximization, in which the agent makes use of the unsupervised interactions to pre-train a policy that maximizes the entropy of its induced state distribution. First, we provide a theoretical characterization of the learning problem by considering a convex RL formulation that subsumes state entropy maximization. Our analysis shows that maximizing the state entropy in finite trials is inherently harder than RL. Then, we study the state entropy maximization problem from an optimization perspective. Especially, we show that the primal formulation of the corresponding optimization problem can be (approximately) addressed through tractable linear programs. Finally, we provide the first practical methodologies for state entropy maximization in complex domains, both when the pre-training takes place in a single environment as well as multiple environments.

Portfolio optimization in the energy market

Let’s put ourselves in the shoes of an energy company. Our fleet of electricity production plants mainly includes gas, hydroelectric and waste-to-energy plants. We also sold contracts for the supply of gas and electricity. For each year we have to plan the trading of the volumes needed by the plants and customers: better to fix the price of these volumes in advance with the so-called forward contracts, instead of waiting for the delivery months, exposing ourselves to price uncertainty. Here’s the thing: trying to keep uncertainty under control in a market that has never shown such extreme scenarios as in recent years: a pandemic, a worsening climate crisis and a war that is affecting economies around the world have made the energy market more volatile than ever. How to make decisions in such uncertain contexts? There is an optimization problem: given a year, we need to choose the optimal planning of volume trading times, to meet the needs of our portfolio at the best prices, taking into account the liquidity constraints given by the market and the risk constraints imposed by the company. Algorithms are needed for the generation of market scenarios over a finite time horizon, that is, a probabilistic distribution that allows a view of all the dates between now and the end of the year of interest. Algorithms are needed to solve the optimization problem: we have proposed more than one and compared them; a very simple one, which avoids considering part of the complexity, moving on to a scenario approach and finally a reinforcement learning approach.

LQG control policy design against agent identity privacy problem

This thesis project studies the agent identity privacy problem in the scalar linear quadratic Gaussian (LQG) control system. For the agent identity privacy problem in the LQG control, privacy models and privacy measures have to be established first. It depends on a trajectory of correlated data rather than a single observation. I propose here privacy models and the corresponding privacy measures by taking into account the two characteristics. The agent identity is a binary hypothesis: Agent A or Agent B. An eavesdropper is assumed to make a hypothesis testing on the agent identity based on the intercepted environment state sequence. The privacy risk is measured by the Kullback-Leibler divergence between the probability distributions of state sequences under two hypotheses. By taking into account both the accumulative control reward and privacy risk, an optimization problem of the policy of Agent B is formulated. The optimal deterministic privacy-preserving LQG policy of Agent B is a linear mapping. A sufficient condition is given to guarantee that the optimal deterministic privacy-preserving policy is time-invariant in the asymptotic regime. An independent Gaussian random variable cannot improve the performance of Agent B. The numerical experiments justify the theoretic results and illustrate the reward-privacy trade-off. Based on the privacy model and the LQG control model, I have formulated the mathematical problems for the agent identity privacy problem in LQG. The formulated problems address the two design objectives: to maximize the control reward and to minimize the privacy risk. I have conducted theoretic analysis on the LQG control policy in the agent identity privacy problem and the trade-off between the control reward and the privacy risk.Finally, the theoretic results are justified by numerical experiments. From the numerical results, I expected to have some interesting observations and insights, which are explained in the last chapter.

A contribution for thermoeconomic modelling: A methodology proposal

This work presents a thermoeconomic optimization methodology for the analysis and design of energy systems. This methodology involves economic aspects related to the exergy conception, in order to develop a tool to assist the equipment selection, operation mode choice as well as to optimize the thermal plants design. It also presents the concepts related to exergy in a general scope and in thermoeconomics which combines the thermal sciences principles (thermodynamics, heat transfer, and fluid mechanics) and the economic engineering in order to rationalize energy systems investment decisions, development and operation. Even in this paper, it develops a thermoeconomic methodology through the use of a simple mathematical model, involving thermodynamics parameters and costs evaluation, also defining the objective function as the exergetic production cost. The optimization problem evaluation is developed for two energy systems. First is applied to a steam compression refrigeration system and then to a cogeneration system using backpressure steam turbine. (C) 2010 Elsevier Ltd. All rights reserved.