Workflow models for heterogeneous distributed systems

The role of data in modern scientific workflows becomes more and more crucial. The unprecedented amount of data available in the digital era, combined with the recent advancements in Machine Learning and High-Performance Computing (HPC), let computers surpass human performances in a wide range of fields, such as Computer Vision, Natural Language Processing and Bioinformatics. However, a solid data management strategy becomes crucial for key aspects like performance optimisation, privacy preservation and security. Most modern programming paradigms for Big Data analysis adhere to the principle of data locality: moving computation closer to the data to remove transfer-related overheads and risks. Still, there are scenarios in which it is worth, or even unavoidable, to transfer data between different steps of a complex workflow. The contribution of this dissertation is twofold. First, it defines a novel methodology for distributed modular applications, allowing topology-aware scheduling and data management while separating business logic, data dependencies, parallel patterns and execution environments. In addition, it introduces computational notebooks as a high-level and user-friendly interface to this new kind of workflow, aiming to flatten the learning curve and improve the adoption of such methodology. Each of these contributions is accompanied by a full-fledged, Open Source implementation, which has been used for evaluation purposes and allows the interested reader to experience the related methodology first-hand. The validity of the proposed approaches has been demonstrated on a total of five real scientific applications in the domains of Deep Learning, Bioinformatics and Molecular Dynamics Simulation, executing them on large-scale mixed cloud-High-Performance Computing (HPC) infrastructures

Design Space Exploration for MPSoC Architectures

Multiprocessor system-on-chip (MPSoC) designs utilize the available technology and communication architectures to meet the requirements of the upcoming applications. In MPSoC, the communication platform is both the key enabler, as well as the key differentiator for realizing efficient MPSoCs. It provides product differentiation to meet a diverse, multi-dimensional set of design constraints, including performance, power, energy, reconfigurability, scalability, cost, reliability and time-to-market. The communication resources of a single interconnection platform cannot be fully utilized by all kind of applications, such as the availability of higher communication bandwidth for computation but not data intensive applications is often unfeasible in the practical implementation. This thesis aims to perform the architecture-level design space exploration towards efficient and scalable resource utilization for MPSoC communication architecture. In order to meet the performance requirements within the design constraints, careful selection of MPSoC communication platform, resource aware partitioning and mapping of the application play important role. To enhance the utilization of communication resources, variety of techniques such as resource sharing, multicast to avoid re-transmission of identical data, and adaptive routing can be used. For implementation, these techniques should be customized according to the platform architecture. To address the resource utilization of MPSoC communication platforms, variety of architectures with different design parameters and performance levels, namely Segmented bus (SegBus), Network-on-Chip (NoC) and Three-Dimensional NoC (3D-NoC), are selected. Average packet latency and power consumption are the evaluation parameters for the proposed techniques. In conventional computing architectures, fault on a component makes the connected fault-free components inoperative. Resource sharing approach can utilize the fault-free components to retain the system performance by reducing the impact of faults. Design space exploration also guides to narrow down the selection of MPSoC architecture, which can meet the performance requirements with design constraints.Siirretty Doriast

Security of Cyber-Physical Systems

Cyber-physical system (CPS) innovations, in conjunction with their sibling computational and technological advancements, have positively impacted our society, leading to the establishment of new horizons of service excellence in a variety of applicational fields. With the rapid increase in the application of CPSs in safety-critical infrastructures, their safety and security are the top priorities of next-generation designs. The extent of potential consequences of CPS insecurity is large enough to ensure that CPS security is one of the core elements of the CPS research agenda. Faults, failures, and cyber-physical attacks lead to variations in the dynamics of CPSs and cause the instability and malfunction of normal operations. This reprint discusses the existing vulnerabilities and focuses on detection, prevention, and compensation techniques to improve the security of safety-critical systems

Novel Neural Network Applications to Mode Choice in Transportation: Estimating Value of Travel Time and Modelling Psycho-Attitudinal Factors

Whenever researchers wish to study the behaviour of individuals choosing among a set of alternatives, they usually rely on models based on the random utility theory, which postulates that the single individuals modify their behaviour so that they can maximise of their utility. These models, often identified as discrete choice models (DCMs), usually require the definition of the utilities for each alternative, by first identifying the variables influencing the decisions. Traditionally, DCMs focused on observable variables and treated users as optimizing tools with predetermined needs. However, such an approach is in contrast with the results from studies in social sciences which show that choice behaviour can be influenced by psychological factors such as attitudes and preferences. Recently there have been formulations of DCMs which include latent constructs for capturing the impact of subjective factors. These are called hybrid choice models or integrated choice and latent variable models (ICLV). However, DCMs are not exempt from issues, like, the fact that researchers have to choose the variables to include and their relations to define the utilities. This is probably one of the reasons which has recently lead to an influx of numerous studies using machine learning (ML) methods to study mode choice, in which researchers tried to find alternative methods to analyse travellers’ choice behaviour. A ML algorithm is any generic method that uses the data itself to understand and build a model, improving its performance the more it is allowed to learn. This means they do not require any a priori input or hypotheses on the structure and nature of the relationships between the several variables used as its inputs. ML models are usually considered black-box methods, but whenever researchers felt the need for interpretability of ML results, they tried to find alternative ways to use ML methods, like building them by using some a priori knowledge to induce specific constrains. Some researchers also transformed the outputs of ML algorithms so that they could be interpreted from an economic point of view, or built hybrid ML-DCM models. The object of this thesis is that of investigating the benefits and the disadvantages deriving from adopting either DCMs or ML methods to study the phenomenon of mode choice in transportation. The strongest feature of DCMs is the fact that they produce very precise and descriptive results, allowing for a thorough interpretation of their outputs. On the other hand, ML models offer a substantial benefit by being truly data-driven methods and thus learning most relations from the data itself. As a first contribution, we tested an alternative method for calculating the value of travel time (VTT) through the results of ML algorithms. VTT is a very informative parameter to consider, since the time consumed by individuals whenever they need to travel normally represents an undesirable factor, thus they are usually willing to exchange their money to reduce travel times. The method proposed is independent from the mode-choice functions, so it can be applied to econometric models and ML methods equally, if they allow the estimation of individual level probabilities. Another contribution of this thesis is a neural network (NN) for the estimation of choice models with latent variables as an alternative to DCMs. This issue arose from wanting to include in ML models not only level of service variables of the alternatives, and socio-economic attributes of the individuals, but also psycho-attitudinal indicators, to better describe the influence of psychological factors on choice behaviour. The results were estimated by using two different datasets. Since NN results are dependent on the values of their hyper-parameters and on their initialization, several NNs were estimated by using different hyper-parameters to find the optimal values, which were used to verify the stability of the results with different initializations

In Silico Strategies for Prospective Drug Repositionings

The discovery of new drugs is one of pharmaceutical research's most exciting and challenging tasks. Unfortunately, the conventional drug discovery procedure is chronophagous and seldom successful; furthermore, new drugs are needed to address our clinical challenges (e.g., new antibiotics, new anticancer drugs, new antivirals).Within this framework, drug repositioning—finding new pharmacodynamic properties for already approved drugs—becomes a worthy drug discovery strategy.Recent drug discovery techniques combine traditional tools with in silico strategies to identify previously unaccounted properties for drugs already in use. Indeed, big data exploration techniques capitalize on the ever-growing knowledge of drugs' structural and physicochemical properties, drug–target and drug–drug interactions, advances in human biochemistry, and the latest molecular and cellular biology discoveries.Following this new and exciting trend, this book is a collection of papers introducing innovative computational methods to identify potential candidates for drug repositioning. Thus, the papers in the Special Issue In Silico Strategies for Prospective Drug Repositionings introduce a wide array of in silico strategies such as complex network analysis, big data, machine learning, molecular docking, molecular dynamics simulation, and QSAR; these strategies target diverse diseases and medical conditions: COVID-19 and post-COVID-19 pulmonary fibrosis, non-small lung cancer, multiple sclerosis, toxoplasmosis, psychiatric disorders, or skin conditions

XXV Congreso Argentino de Ciencias de la Computación - CACIC 2019: libro de actas

Trabajos presentados en el XXV Congreso Argentino de Ciencias de la Computación (CACIC), celebrado en la ciudad de Río Cuarto los días 14 al 18 de octubre de 2019 organizado por la Red de Universidades con Carreras en Informática (RedUNCI) y Facultad de Ciencias Exactas, Físico-Químicas y Naturales - Universidad Nacional de Río CuartoRed de Universidades con Carreras en Informátic

XXV Congreso Argentino de Ciencias de la Computación - CACIC 2019: libro de actas

Trabajos presentados en el XXV Congreso Argentino de Ciencias de la Computación (CACIC), celebrado en la ciudad de Río Cuarto los días 14 al 18 de octubre de 2019 organizado por la Red de Universidades con Carreras en Informática (RedUNCI) y Facultad de Ciencias Exactas, Físico-Químicas y Naturales - Universidad Nacional de Río CuartoRed de Universidades con Carreras en Informátic