Experimental and computational study of methane and methyl formate pyrolysis and oxidation in a flow reactor

A study of the pyrolysis and oxidation (phi 0.5-1-2) of methane and methyl formate (phi 0.5) in a laboratory flow reactor (Length = 50 cm, inner diameter = 2.5 cm) has been carried out at 1-4 atm and 300-1300 K temperature range. Exhaust gaseous species analysis was realized using a gas chromatographic system, Varian CP-4900 PRO Mirco-GC, with a TCD detector and using helium as carrier for a Molecular Sieve 5Å column and nitrogen for a COX column, whose temperatures and pressures were respectively of 65°C and 150kPa. Model simulations using NTUA [1], Fisher et al. [12], Grana [13] and Dooley [14] kinetic mechanisms have been performed with CHEMKIN. The work provides a basis for further development and optimization of existing detailed chemical kinetic schemes.

Groupme: city data and multi-preference activity allocation

Classic group recommender systems focus on providing suggestions for a fixed group of people. Our work tries to give an inside look at design- ing a new recommender system that is capable of making suggestions for a sequence of activities, dividing people in subgroups, in order to boost over- all group satisfaction. However, this idea increases problem complexity in more dimensions and creates great challenge to the algorithm’s performance. To understand the e↵ectiveness, due to the enhanced complexity and pre- cise problem solving, we implemented an experimental system from data collected from a variety of web services concerning the city of Paris. The sys- tem recommends activities to a group of users from two di↵erent approaches: Local Search and Constraint Programming. The general results show that the number of subgroups can significantly influence the Constraint Program- ming Approaches’s computational time and e�cacy. Generally, Local Search can find results much quicker than Constraint Programming. Over a lengthy period of time, Local Search performs better than Constraint Programming, with similar final results.

Microchannel heat exchangers: An attractive option for the regenerator of a mobile orc waste heat recovery system

The performance of microchannel heat exchangers was assessed in gas-to-liquid applications in the order of several tens of kWth . The technology is suitable for exhaust heat recovery systems based on organic Rankine cycle. In order to design a light and compact microchannel heat exchanger, an optimization process is developed. The model employed in the procedure is validated through computational fluid-dynamics analysis with commercial software. It is shown that conjugate effects have a significant impact on the heat transfer performance of the device.

An integrated system for building and running reproducible research

Our generation of computational scientists is living in an exciting time: not only do we get to pioneer important algorithms and computations, we also get to set standards on how computational research should be conducted and published. From Euclid’s reasoning and Galileo’s experiments, it took hundreds of years for the theoretical and experimental branches of science to develop standards for publication and peer review. Computational science, rightly regarded as the third branch, can walk the same road much faster. The success and credibility of science are anchored in the willingness of scientists to expose their ideas and results to independent testing and replication by other scientists. This requires the complete and open exchange of data, procedures and materials. The idea of a “replication by other scientists” in reference to computations is more commonly known as “reproducible research”. In this context the journal “EAI Endorsed Transactions on Performance & Modeling, Simulation, Experimentation and Complex Systems” had the exciting and original idea to make the scientist able to submit simultaneously the article and the computation materials (software, data, etc..) which has been used to produce the contents of the article. The goal of this procedure is to allow the scientific community to verify the content of the paper, reproducing it in the platform independently from the OS chosen, confirm or invalidate it and especially allow its reuse to reproduce new results. This procedure is therefore not helpful if there is no minimum methodological support. In fact, the raw data sets and the software are difficult to exploit without the logic that guided their use or their production. This led us to think that in addition to the data sets and the software, an additional element must be provided: the workflow that relies all of them.

Machine Learning Unsupervised Methods in the Design of an On-board Health Monitoring System for Satellite Applications

The dissertation starts by providing a description of the phenomena related to the increasing importance recently acquired by satellite applications. The spread of such technology comes with implications, such as an increase in maintenance cost, from which derives the interest in developing advanced techniques that favor an augmented autonomy of spacecrafts in health monitoring. Machine learning techniques are widely employed to lay a foundation for effective systems specialized in fault detection by examining telemetry data. Telemetry consists of a considerable amount of information; therefore, the adopted algorithms must be able to handle multivariate data while facing the limitations imposed by on-board hardware features. In the framework of outlier detection, the dissertation addresses the topic of unsupervised machine learning methods. In the unsupervised scenario, lack of prior knowledge of the data behavior is assumed. In the specific, two models are brought to attention, namely Local Outlier Factor and One-Class Support Vector Machines. Their performances are compared in terms of both the achieved prediction accuracy and the equivalent computational cost. Both models are trained and tested upon the same sets of time series data in a variety of settings, finalized at gaining insights on the effect of the increase in dimensionality. The obtained results allow to claim that both models, combined with a proper tuning of their characteristic parameters, successfully comply with the role of outlier detectors in multivariate time series data. Nevertheless, under this specific context, Local Outlier Factor results to be outperforming One-Class SVM, in that it proves to be more stable over a wider range of input parameter values. This property is especially valuable in unsupervised learning since it suggests that the model is keen to adapting to unforeseen patterns.

Computational investigation of a stereoselective synthesis of atropisomeric hydrazides possessing an N–N stereogenic axis

Axially chiral substrates are an interesting and widely studied class of compounds as they can be found in bioactive natural products and are employed as functional materials or as ligands in asymmetric catalytic processes. One branch of this family is the well-known world of the atropisomers. Among them, atropisomeric compounds possessing an N–N stereogenic axis are one truthfully fascinating system but not completely understood yet. In this thesis, we computationally investigated the mechanism of the diastereoselective formation of the N – N chiral axis of a hydrazide under asymmetric phase transfer catalytic conditions. Moreover, during this study, torsional barriers have been calculated for both the reagent and the product at the density functional theory (DFT). These values turned out to suitably match the experimental values and observations. Finally, Electronic Circular Dichroism (ECD) spectra have been simulated in order to assign the chiral absolute configuration to the products.

Robotics and neurodevelopmental disorder: design and implementation of a system of engagement metrics in human-robot interactions.

In the recent decades, robotics has become firmly embedded in areas such as education, teaching, medicine, psychology and many others. We focus here on social robotics; social robots are designed to interact with people in a natural and interpersonal way, often to achieve positive results in different applications. To interact and cooperate with humans in their daily-life activities, robots should exhibit human-like intelligence. The rapid expansion of social robotics and the existence of various kinds of robots on the market have allowed research groups to carry out multiple experiments. The experiments carried out have led to the collections of various kinds of data, which can be used or processed for psychological studies, and studies in other fields. However, there are no tools available in which data can be stored, processed and shared with other research groups. This thesis proposes the design and implementation of visual tool for organizing dataflows in Human Robot Interaction (HRI).

An Embedded In-Cabin Lightweight High-Performance 3D Gaze Estimation System

Gaze estimation has gained interest in recent years for being an important cue to obtain information about the internal cognitive state of humans. Regardless of whether it is the 3D gaze vector or the point of gaze (PoG), gaze estimation has been applied in various fields, such as: human robot interaction, augmented reality, medicine, aviation and automotive. In the latter field, as part of Advanced Driver-Assistance Systems (ADAS), it allows the development of cutting-edge systems capable of mitigating road accidents by monitoring driver distraction. Gaze estimation can be also used to enhance the driving experience, for instance, autonomous driving. It also can improve comfort with augmented reality components capable of being commanded by the driver's eyes. Although, several high-performance real-time inference works already exist, just a few are capable of working with only a RGB camera on computationally constrained devices, such as a microcontroller. This work aims to develop a low-cost, efficient and high-performance embedded system capable of estimating the driver's gaze using deep learning and a RGB camera. The proposed system has achieved near-SOTA performances with about 90% less memory footprint. The capabilities to generalize in unseen environments have been evaluated through a live demonstration, where high performance and near real-time inference were obtained using a webcam and a Raspberry Pi4.

Integrating an Emotion Recognition Model for the Flobi System

This thesis investigates if emotional states of users interacting with a virtual robot can be recognized reliably and if specific interaction strategy can change the users’ emotional state and affect users’ risk decision. For this investigation, the OpenFace [1] emotion recognition model was intended to be integrated into the Flobi [2] system, to allow the agent to be aware of the current emotional state of the user and to react appropriately. There was an open source ROS [3] bridge available online to integrate OpenFace to the Flobi simulation but it was not consistent with some other projects in Flobi distribution. Then due to technical reasons DeepFace was selected. In a human-agent interaction, the system is compared to a system without using emotion recognition. Evaluation could happen at different levels: evaluation of emotion recognition model, evaluation of the interaction strategy, and evaluation of effect of interaction on user decision. The results showed that the happy emotion induction was 58% and fear emotion induction 77% successful. Risk decision results show that: in happy induction after interaction 16.6% of participants switched to a lower risk decision and 75% of them did not change their decision and the remaining switched to a higher risk decision. In fear inducted participants 33.3% decreased risk 66.6 % did not change their decision The emotion recognition accuracy was and had bias to. The sensitivity and specificity is calculated for each emotion class. The emotion recognition model classifies happy emotions as neutral in most of the time.

Cyber threat intelligence: identifying hardcoded secrets in GitHub

The usage of version control systems and the capabilities of storing the source code in public platforms such as GitHub increased the number of passwords, API Keys and tokens that can be found and used causing a massive security issue for people and companies. In this project, SAP's secret scanner Credential Digger is presented. How it can scan repositories to detect hardcoded secrets and how it manages to filter out the false positives between them. Moreover, how I have implemented the Credential Digger's pre-commit hook. A performance comparison between three different implementations of the hook based on how it interacts with the Machine Learning model is presented. This project also includes how it is possible to use already detected credentials to decrease the number false positive by leveraging the similarity between leaks by using the Bucket System.