On deep generative modelling methods for protein-protein interaction

Proteins form the basis for almost all biological processes, identifying the interactions that proteins have with themselves, the environment, and each other are critical to understanding their biological function in an organism, and thus the impact of drugs designed to affect them. Consequently a significant body of research and development focuses on methods to analyse and predict protein structure and interactions. Due to the breadth of possible interactions and the complexity of structures, \textit{in sillico} methods are used to propose models of both interaction and structure that can then be verified experimentally. However the computational complexity of protein interaction means that full physical simulation of these processes requires exceptional computational resources and is often infeasible. Recent advances in deep generative modelling have shown promise in correctly capturing complex conditional distributions. These models derive their basic principles from statistical mechanics and thermodynamic modelling. While the learned functions of these methods are not guaranteed to be physically accurate, they result in a similar sampling process to that suggested by the thermodynamic principles of protein folding and interaction. However, limited research has been applied to extending these models to work over the space of 3D rotation, limiting their applicability to protein models. In this thesis we develop an accelerated sampling strategy for faster sampling of potential docking locations, we then address the rotational diffusion limitation by extending diffusion models to the space of $SO(3)$ and finally present a framework for the use of this rotational diffusion model to rigid docking of proteins

Recent Developments in Smart Healthcare

Medicine is undergoing a sector-wide transformation thanks to the advances in computing and networking technologies. Healthcare is changing from reactive and hospital-centered to preventive and personalized, from disease focused to well-being centered. In essence, the healthcare systems, as well as fundamental medicine research, are becoming smarter. We anticipate significant improvements in areas ranging from molecular genomics and proteomics to decision support for healthcare professionals through big data analytics, to support behavior changes through technology-enabled self-management, and social and motivational support. Furthermore, with smart technologies, healthcare delivery could also be made more efficient, higher quality, and lower cost. In this special issue, we received a total 45 submissions and accepted 19 outstanding papers that roughly span across several interesting topics on smart healthcare, including public health, health information technology (Health IT), and smart medicine

Recent Advances in Social Data and Artificial Intelligence 2019

The importance and usefulness of subjects and topics involving social data and artificial intelligence are becoming widely recognized. This book contains invited review, expository, and original research articles dealing with, and presenting state-of-the-art accounts pf, the recent advances in the subjects of social data and artificial intelligence, and potentially their links to Cyberspace

Advanced Sensing and Image Processing Techniques for Healthcare Applications

This Special Issue aims to attract the latest research and findings in the design, development and experimentation of healthcare-related technologies. This includes, but is not limited to, using novel sensing, imaging, data processing, machine learning, and artificially intelligent devices and algorithms to assist/monitor the elderly, patients, and the disabled population

A Review of Resonant Converter Control Techniques and The Performances

paper first discusses each control technique and then gives experimental results and/or performance to highlights their merits. The resonant converter used as a case study is not specified to just single topology instead it used few topologies such as series-parallel resonant converter (SPRC), LCC resonant converter and parallel resonant converter (PRC). On the other hand, the control techniques presented in this paper are self-sustained phase shift modulation (SSPSM) control, self-oscillating power factor control, magnetic control and the H-∞ robust control technique

OBSERVER-BASED-CONTROLLER FOR INVERTED PENDULUM MODEL

This paper presents a state space control technique for inverted pendulum system. The system is a common classical control problem that has been widely used to test multiple control algorithms because of its nonlinear and unstable behavior. Full state feedback based on pole placement and optimal control is applied to the inverted pendulum system to achieve desired design specification which are 4 seconds settling time and 5% overshoot. The simulation and optimization of the full state feedback controller based on pole placement and optimal control techniques as well as the performance comparison between these techniques is described comprehensively. The comparison is made to choose the most suitable technique for the system that have the best trade-off between settling time and overshoot. Besides that, the observer design is analyzed to see the effect of pole location and noise present in the system

A Review of Resonant Converter Control Techniques and The Performances

paper first discusses each control technique and then gives experimental results and/or performance to highlights their merits. The resonant converter used as a case study is not specified to just single topology instead it used few topologies such as series-parallel resonant converter (SPRC), LCC resonant converter and parallel resonant converter (PRC). On the other hand, the control techniques presented in this paper are self-sustained phase shift modulation (SSPSM) control, self-oscillating power factor control, magnetic control and the H-∞ robust control technique

State-Feedback Controller Based on Pole Placement Technique for Inverted Pendulum System

This paper presents a state space control technique for inverted pendulum system using simulation and real experiment via MATLAB/SIMULINK software. The inverted pendulum is difficult system to control in the field of control engineering. It is also one of the most important classical control system problems because of its nonlinear characteristics and unstable system. It has three main problems that always appear in control application which are nonlinear system, unstable and non-minimumbehavior phase system. This project will apply state feedback controller based on pole placement technique which is capable in stabilizing the practical based inverted pendulum at vertical position. Desired design specifications which are 4 seconds settling time and 5 % overshoot is needed to apply in full state feedback controller based on pole placement technique. First of all, the mathematical model of an inverted pendulum system is derived to obtain the state space representation of the system. Then, the design phase of the State-Feedback Controller can be conducted after linearization technique is performed to the nonlinear equation with the aid of mathematical aided software such as Mathcad. After that, the design is simulated using MATLAB/Simulink software. The controller design of the inverted pendulum system is verified using simulation and experiment test. Finally the controller design is compared with PID controller for benchmarking purpose

Machine Learning and Its Application to Reacting Flows

This open access book introduces and explains machine learning (ML) algorithms and techniques developed for statistical inferences on a complex process or system and their applications to simulations of chemically reacting turbulent flows. These two fields, ML and turbulent combustion, have large body of work and knowledge on their own, and this book brings them together and explain the complexities and challenges involved in applying ML techniques to simulate and study reacting flows. This is important as to the world’s total primary energy supply (TPES), since more than 90% of this supply is through combustion technologies and the non-negligible effects of combustion on environment. Although alternative technologies based on renewable energies are coming up, their shares for the TPES is are less than 5% currently and one needs a complete paradigm shift to replace combustion sources. Whether this is practical or not is entirely a different question, and an answer to this question depends on the respondent. However, a pragmatic analysis suggests that the combustion share to TPES is likely to be more than 70% even by 2070. Hence, it will be prudent to take advantage of ML techniques to improve combustion sciences and technologies so that efficient and “greener” combustion systems that are friendlier to the environment can be designed. The book covers the current state of the art in these two topics and outlines the challenges involved, merits and drawbacks of using ML for turbulent combustion simulations including avenues which can be explored to overcome the challenges. The required mathematical equations and backgrounds are discussed with ample references for readers to find further detail if they wish. This book is unique since there is not any book with similar coverage of topics, ranging from big data analysis and machine learning algorithm to their applications for combustion science and system design for energy generation