Operational research applied to regional healthcare system

In this thesis we focus on optimization and simulation techniques applied to solve strategic, tactical and operational problems rising in the healthcare sector. At first we present three applications to Emilia-Romagna Public Health System (SSR) developed in collaboration with Agenzia Sanitaria e Sociale dell'Emilia-Romagna (ASSR), a regional center for innovation and improvement in health. Agenzia launched a strategic campaign aimed at introducing Operations Research techniques as decision making tools to support technological and organizational innovations. The three applications focus on forecast and fund allocation of medical specialty positions, breast screening program extension and operating theater planning. The case studies exploit the potential of combinatorial optimization, discrete event simulation and system dynamics techniques to solve resource constrained problem arising within Emilia-Romagna territory. We then present an application in collaboration with Dipartimento di Epidemiologia del Lazio that focuses on population demand of service allocation to regional emergency departments. Finally, a simulation-optimization approach, developed in collaboration with INESC TECH center of Porto, to evaluate matching policies for the kidney exchange problem is discussed.

Edge and Big Data technologies for Industry 4.0 to create an integrated pre-sale and after-sale environment

The fourth industrial revolution, also known as Industry 4.0, has rapidly gained traction in businesses across Europe and the world, becoming a central theme in small, medium, and large enterprises alike. This new paradigm shifts the focus from locally-based and barely automated firms to a globally interconnected industrial sector, stimulating economic growth and productivity, and supporting the upskilling and reskilling of employees. However, despite the maturity and scalability of information and cloud technologies, the support systems already present in the machine field are often outdated and lack the necessary security, access control, and advanced communication capabilities. This dissertation proposes architectures and technologies designed to bridge the gap between Operational and Information Technology, in a manner that is non-disruptive, efficient, and scalable. The proposal presents cloud-enabled data-gathering architectures that make use of the newest IT and networking technologies to achieve the desired quality of service and non-functional properties. By harnessing industrial and business data, processes can be optimized even before product sale, while the integrated environment enhances data exchange for post-sale support. The architectures have been tested and have shown encouraging performance results, providing a promising solution for companies looking to embrace Industry 4.0, enhance their operational capabilities, and prepare themselves for the upcoming fifth human-centric revolution.

Optimizing AI at the Edge: from network topology design to MCU deployment

The first topic analyzed in the thesis will be Neural Architecture Search (NAS). I will focus on two different tools that I developed, one to optimize the architecture of Temporal Convolutional Networks (TCNs), a convolutional model for time-series processing that has recently emerged, and one to optimize the data precision of tensors inside CNNs. The first NAS proposed explicitly targets the optimization of the most peculiar architectural parameters of TCNs, namely dilation, receptive field, and the number of features in each layer. Note that this is the first NAS that explicitly targets these networks. The second NAS proposed instead focuses on finding the most efficient data format for a target CNN, with the granularity of the layer filter. Note that applying these two NASes in sequence allows an "application designer" to minimize the structure of the neural network employed, minimizing the number of operations or the memory usage of the network. After that, the second topic described is the optimization of neural network deployment on edge devices. Importantly, exploiting edge platforms' scarce resources is critical for NN efficient execution on MCUs. To do so, I will introduce DORY (Deployment Oriented to memoRY) -- an automatic tool to deploy CNNs on low-cost MCUs. DORY, in different steps, can manage different levels of memory inside the MCU automatically, offload the computation workload (i.e., the different layers of a neural network) to dedicated hardware accelerators, and automatically generates ANSI C code that orchestrates off- and on-chip transfers with the computation phases. On top of this, I will introduce two optimized computation libraries that DORY can exploit to deploy TCNs and Transformers on edge efficiently. I conclude the thesis with two different applications on bio-signal analysis, i.e., heart rate tracking and sEMG-based gesture recognition.

TCAD approaches to multidimensional simulation of advanced semiconductor devices

Technology scaling increasingly emphasizes complexity and non-ideality of the electrical behavior of semiconductor devices and boosts interest on alternatives to the conventional planar MOSFET architecture. TCAD simulation tools are fundamental to the analysis and development of new technology generations. However, the increasing device complexity is reflected in an augmented dimensionality of the problems to be solved. The trade-off between accuracy and computational cost of the simulation is especially influenced by domain discretization: mesh generation is therefore one of the most critical steps and automatic approaches are sought. Moreover, the problem size is further increased by process variations, calling for a statistical representation of the single device through an ensemble of microscopically different instances. The aim of this thesis is to present multi-disciplinary approaches to handle this increasing problem dimensionality in a numerical simulation perspective. The topic of mesh generation is tackled by presenting a new Wavelet-based Adaptive Method (WAM) for the automatic refinement of 2D and 3D domain discretizations. Multiresolution techniques and efficient signal processing algorithms are exploited to increase grid resolution in the domain regions where relevant physical phenomena take place. Moreover, the grid is dynamically adapted to follow solution changes produced by bias variations and quality criteria are imposed on the produced meshes. The further dimensionality increase due to variability in extremely scaled devices is considered with reference to two increasingly critical phenomena, namely line-edge roughness (LER) and random dopant fluctuations (RD). The impact of such phenomena on FinFET devices, which represent a promising alternative to planar CMOS technology, is estimated through 2D and 3D TCAD simulations and statistical tools, taking into account matching performance of single devices as well as basic circuit blocks such as SRAMs. Several process options are compared, including resist- and spacer-defined fin patterning as well as different doping profile definitions. Combining statistical simulations with experimental data, potentialities and shortcomings of the FinFET architecture are analyzed and useful design guidelines are provided, which boost feasibility of this technology for mainstream applications in sub-45 nm generation integrated circuits.

Enabling Human Centric Smart Campuses via Edge Computing and Connected Objects

Early definitions of Smart Building focused almost entirely on the technology aspect and did not suggest user interaction at all. Indeed, today we would attribute it more to the concept of the automated building. In this sense, control of comfort conditions inside buildings is a problem that is being well investigated, since it has a direct effect on users’ productivity and an indirect effect on energy saving. Therefore, from the users’ perspective, a typical environment can be considered comfortable, if it’s capable of providing adequate thermal comfort, visual comfort and indoor air quality conditions and acoustic comfort. In the last years, the scientific community has dealt with many challenges, especially from a technological point of view. For instance, smart sensing devices, the internet, and communication technologies have enabled a new paradigm called Edge computing that brings computation and data storage closer to the location where it is needed, to improve response times and save bandwidth. This has allowed us to improve services, sustainability and decision making. Many solutions have been implemented such as smart classrooms, controlling the thermal condition of the building, monitoring HVAC data for energy-efficient of the campus and so forth. Though these projects provide to the realization of smart campus, a framework for smart campus is yet to be determined. These new technologies have also introduced new research challenges: within this thesis work, some of the principal open challenges will be faced, proposing a new conceptual framework, technologies and tools to move forward the actual implementation of smart campuses. Keeping in mind, several problems known in the literature have been investigated: the occupancy detection, noise monitoring for acoustic comfort, context awareness inside the building, wayfinding indoor, strategic deployment for air quality and books preserving.

Flexible Computing Systems For AI Acceleration At The Extreme Edge Of The IoT

Embedding intelligence in extreme edge devices allows distilling raw data acquired from sensors into actionable information, directly on IoT end-nodes. This computing paradigm, in which end-nodes no longer depend entirely on the Cloud, offers undeniable benefits, driving a large research area (TinyML) to deploy leading Machine Learning (ML) algorithms on micro-controller class of devices. To fit the limited memory storage capability of these tiny platforms, full-precision Deep Neural Networks (DNNs) are compressed by representing their data down to byte and sub-byte formats, in the integer domain. However, the current generation of micro-controller systems can barely cope with the computing requirements of QNNs. This thesis tackles the challenge from many perspectives, presenting solutions both at software and hardware levels, exploiting parallelism, heterogeneity and software programmability to guarantee high flexibility and high energy-performance proportionality. The first contribution, PULP-NN, is an optimized software computing library for QNN inference on parallel ultra-low-power (PULP) clusters of RISC-V processors, showing one order of magnitude improvements in performance and energy efficiency, compared to current State-of-the-Art (SoA) STM32 micro-controller systems (MCUs) based on ARM Cortex-M cores. The second contribution is XpulpNN, a set of RISC-V domain specific instruction set architecture (ISA) extensions to deal with sub-byte integer arithmetic computation. The solution, including the ISA extensions and the micro-architecture to support them, achieves energy efficiency comparable with dedicated DNN accelerators and surpasses the efficiency of SoA ARM Cortex-M based MCUs, such as the low-end STM32M4 and the high-end STM32H7 devices, by up to three orders of magnitude. To overcome the Von Neumann bottleneck while guaranteeing the highest flexibility, the final contribution integrates an Analog In-Memory Computing accelerator into the PULP cluster, creating a fully programmable heterogeneous fabric that demonstrates end-to-end inference capabilities of SoA MobileNetV2 models, showing two orders of magnitude performance improvements over current SoA analog/digital solutions.

Development and characterization of cutting-edge equipment for EMC measurements and advanced power line filter design

This Doctoral Thesis aims at studying, developing, and characterizing cutting edge equipment for EMC measurements and proposing innovative and advanced power line filter design techniques. This document summarizes a three-year work, is strictly industry oriented and relies on EMC standards and regulations. It contains the main results, findings, and effort with the purpose of bringing innovative contributions at the scientific community. Conducted emissions interferences are usually suppressed with power line filters. These filters are composed by common mode chokes, X capacitors and Y capacitors in order to mitigate both the differential mode and common mode noise, which compose the overall conducted emissions. However, even at present days, available power line filter design techniques show several disadvantages. First of all, filters are designed to be implemented in ideal 50 Ω systems, condition which is far away from reality. Then, the attenuation introduced by the filter for common or differential mode noise is analyzed independently, without considering the possible mode conversion that can be produced by impedance mismatches, or asymmetries in either the power line filter itself or the equipment under test. Ultimately, the instrumentation used to perform conducted emissions measurement is, in most cases, not adequate. All these factors lead to an inaccurate design, contributing at increasing the size of the filter, making it more expensive and less performant than it should be.

Advanced applications of X-ray Absorption Spectroscopy to the study of protein metal sites.

We present a study of the metal sites of different proteins through X-ray Absorption Fine Structure (XAFS) spectroscopy. First of all, the capabilities of XAFS analysis have been improved by ab initio simulation of the near-edge region of the spectra, and an original analysis method has been proposed. The method subsequently served ad a tool to treat diverse biophysical problems, like the inhibition of proton-translocating proteins by metal ions and the matrix effect exerted on photosynthetic proteins (the bacterial Reaction Center, RC) by strongly dehydrate sugar matrices. A time-resolved study of Fe site of RC with μs resolution has been as well attempted. Finally, a further step aimed to improve the reliability of XAFS analysis has been performed by calculating the dynamical parameters of the metal binding cluster by means of DFT methods, and the theoretical result obtained for MbCO has been successfully compared with experimental data.

A novel map-matching procedure for low-sampling GPS data with applications to traffic flow analysis

An extensive sample (2%) of private vehicles in Italy are equipped with a GPS device that periodically measures their position and dynamical state for insurance purposes. Having access to this type of data allows to develop theoretical and practical applications of great interest: the real-time reconstruction of traffic state in a certain region, the development of accurate models of vehicle dynamics, the study of the cognitive dynamics of drivers. In order for these applications to be possible, we first need to develop the ability to reconstruct the paths taken by vehicles on the road network from the raw GPS data. In fact, these data are affected by positioning errors and they are often very distanced from each other (~2 Km). For these reasons, the task of path identification is not straightforward. This thesis describes the approach we followed to reliably identify vehicle paths from this kind of low-sampling data. The problem of matching data with roads is solved with a bayesian approach of maximum likelihood. While the identification of the path taken between two consecutive GPS measures is performed with a specifically developed optimal routing algorithm, based on A* algorithm. The procedure was applied on an off-line urban data sample and proved to be robust and accurate. Future developments will extend the procedure to real-time execution and nation-wide coverage.

Distributed Large-scale Mixed-Integer Optimization with Application to Energy and Multi-robot Networks

Several decision and control tasks in cyber-physical networks can be formulated as large- scale optimization problems with coupling constraints. In these "constraint-coupled" problems, each agent is associated to a local decision variable, subject to individual constraints. This thesis explores the use of primal decomposition techniques to develop tailored distributed algorithms for this challenging set-up over graphs. We first develop a distributed scheme for convex problems over random time-varying graphs with non-uniform edge probabilities. The approach is then extended to unknown cost functions estimated online. Subsequently, we consider Mixed-Integer Linear Programs (MILPs), which are of great interest in smart grid control and cooperative robotics. We propose a distributed methodological framework to compute a feasible solution to the original MILP, with guaranteed suboptimality bounds, and extend it to general nonconvex problems. Monte Carlo simulations highlight that the approach represents a substantial breakthrough with respect to the state of the art, thus representing a valuable solution for new toolboxes addressing large-scale MILPs. We then propose a distributed Benders decomposition algorithm for asynchronous unreliable networks. The framework has been then used as starting point to develop distributed methodologies for a microgrid optimal control scenario. We develop an ad-hoc distributed strategy for a stochastic set-up with renewable energy sources, and show a case study with samples generated using Generative Adversarial Networks (GANs). We then introduce a software toolbox named ChoiRbot, based on the novel Robot Operating System 2, and show how it facilitates simulations and experiments in distributed multi-robot scenarios. Finally, we consider a Pickup-and-Delivery Vehicle Routing Problem for which we design a distributed method inspired to the approach of general MILPs, and show the efficacy through simulations and experiments in ChoiRbot with ground and aerial robots.

Modelling UV response of biomolecules: from electronic structure to ab-initio dynamics.

The interaction of organic chromophores with light initiates ultrafast processes in the timescale of femtoseconds. An atomistic understanding of the mechanism driving such photoinduced reactions opens up the door to exploit them for our benefit. This thesis studies the interactions of ultraviolet light with the DNA/RNA molecules and the amino-acid tryptophan. Using some of the most accurate electronic structure methods and sophisticated environmental modelling, the works documented herein enable quantitative comparisons with cutting-edge experimental data. The relaxation pathways undertaken by the excited molecule are revealed through static and dynamical investigations of the excited-state potential energy surface. The profound role played by the dynamic response of the environment to guide the excitation in these timescales is addressed thoroughly.

Exploiting molecular simulations as an atomic-level microscope to elucidate clinically relevant cation chloride cotransporters

The cation chloride cotransporters (CCCs) represent a vital family of ion transporters, with several members implicated in significant neurological disorders. Specifically, conditions such as cerebrospinal fluid accumulation, epilepsy, Down’s syndrome, Asperger’s syndrome, and certain cancers have been attributed to various CCCs. This thesis delves into these pharmacological targets using advanced computational methodologies. I primarily employed GPU-accelerated all-atom molecular dynamics simulations, deep learning-based collective variables, enhanced sampling methods, and custom Python scripts for comprehensive simulation analyses. Our research predominantly centered on KCC1 and NKCC1 transporters. For KCC1, I examined its equilibrium dynamics in the presence/absence of an inhibitor and assessed the functional implications of different ion loading states. In contrast, our work on NKCC1 revealed its unique alternating access mechanism, termed the rocking-bundle mechanism. I identified a previously unobserved occluded state and demonstrated the transporter's potential for water permeability under specific conditions. Furthermore, I confirmed the actual water flow through its permeable states. In essence, this thesis leverages cutting-edge computational techniques to deepen our understanding of the CCCs, a family of ion transporters with profound clinical significance.

Adaptable security in the cloud-to-thing continuum

Recent technological advancements have played a key role in seamlessly integrating cloud, edge, and Internet of Things (IoT) technologies, giving rise to the Cloud-to-Thing Continuum paradigm. This cloud model connects many heterogeneous resources that generate a large amount of data and collaborate to deliver next-generation services. While it has the potential to reshape several application domains, the number of connected entities remarkably broadens the security attack surface. One of the main problems is the lack of security measures to adapt to the dynamic and evolving conditions of the Cloud-To-Thing Continuum. To address this challenge, this dissertation proposes novel adaptable security mechanisms. Adaptable security is the capability of security controls, systems, and protocols to dynamically adjust to changing conditions and scenarios. However, since the design and development of novel security mechanisms can be explored from different perspectives and levels, we place our attention on threat modeling and access control. The contributions of the thesis can be summarized as follows. First, we introduce a model-based methodology that secures the design of edge and cyber-physical systems. This solution identifies threats, security controls, and moving target defense techniques based on system features. Then, we focus on access control management. Since access control policies are subject to modifications, we evaluate how they can be efficiently shared among distributed areas, highlighting the effectiveness of distributed ledger technologies. Furthermore, we propose a risk-based authorization middleware, adjusting permissions based on real-time data, and a federated learning framework that enhances trustworthiness by weighting each client's contributions according to the quality of their partial models. Finally, since authorization revocation is another critical concern, we present an efficient revocation scheme for verifiable credentials in IoT networks, featuring decentralization, demanding minimum storage and computing capabilities. All the mechanisms have been evaluated in different conditions, proving their adaptability to the Cloud-to-Thing Continuum landscape.