Bilinear optimization of protein structure prediction: An exact approach via AB off-lattice model.

Protein structure prediction (PSP) remains a central challenge in computational biology due to its inherent complexity and high dimensionality. While numerous heuristic approaches have appeared in the literature, their success varies. The AB off-lattice model, which characterizes proteins as sequences of A (hydrophobic) and B (hydrophilic) beads, presents a simplified perspective on PSP. This work presents a mathematical optimization-based methodology capitalizing on the off-lattice AB model. Dissecting the inherent non-linearities of the energy landscape of protein folding allowed for formulating the PSP as a bilinear optimization problem. This formulation was achieved by introducing auxiliary variables and constraints that encapsulate the nuanced relationship between the protein's conformational space and its energy landscape. The proposed bilinear model exhibited notable accuracy in pinpointing the global minimum energy conformations on a benchmark dataset presented by the Protein Data Bank (PDB). Compared to traditional heuristic-based methods, this bilinear approach yielded exact solutions, reducing the likelihood of local minima entrapment. This research highlights the potential of reframing the traditionally non-linear protein structure prediction problem into a bilinear optimization problem through the off-lattice AB model. Such a transformation offers a route toward methodologies that can determine the global solution, challenging current PSP paradigms. Exploration into hybrid models, merging bilinear optimization and heuristic components, might present an avenue for balancing accuracy with computational efficiency.

Machine Fault Detection Using a Hybrid CNN-LSTM Attention-Based Model.

The predictive maintenance of electrical machines is a critical issue for companies, as it can greatly reduce maintenance costs, increase efficiency, and minimize downtime. In this paper, the issue of predicting electrical machine failures by predicting possible anomalies in the data is addressed through time series analysis. The time series data are from a sensor attached to an electrical machine (motor) measuring vibration variations in three axes: X (axial), Y (radial), and Z (radial X). The dataset is used to train a hybrid convolutional neural network with long short-term memory (CNN-LSTM) architecture. By employing quantile regression at the network output, the proposed approach aims to manage the uncertainties present in the data. The application of the hybrid CNN-LSTM attention-based model, combined with the use of quantile regression to capture uncertainties, yielded superior results compared to traditional reference models. These results can benefit companies by optimizing their maintenance schedules and improving the overall performance of their electric machines.

An Energy-Aware Task Scheduling for Quality-of-Service Assurance in Constellations of Nanosatellites.

When managing a constellation of nanosatellites, one may leverage this structure to improve the mission's quality-of-service (QoS) by optimally distributing the tasks during an orbit. In this sense, this research proposes an offline energy-aware task scheduling problem formulation regarding the specifics of constellations, by considering whether the tasks are individual, collective, or stimulated to be redundant. By providing such an optimization framework, the idea of estimating an offline task schedule can serve as a baseline for the constellation design phase. For example, given a particular orbit, from the simulation of an irradiance model, the engineer can estimate how the mission value is affected by the inclusion or exclusion of individuals objects. The proposed model, given in the form of a multi-objective mixed-integer linear programming model, is illustrated in this work for several illustrative scenarios considering different sets of tasks and constellations. We also perform an analysis of the Pareto-optimal frontier of the problem, identifying the feasible trade-off points between constellation and individual tasks. This information can be useful to the decision-maker (mission operator) when planning the behavior in orbit.

Echo State Networks for Practical Nonlinear Model Predictive Control of Unknown Dynamic Systems.

Nonlinear model predictive control (NMPC) of industrial processes is changeling in part because the model of the plant may not be completely known but also for being computationally demanding. This work proposes an extremely efficient reservoir computing (RC)-based control framework that speeds up the NMPC of processes. In this framework, while an echo state network (ESN) serves as the dynamic RC-based system model of a process, the practical nonlinear model predictive controller (PNMPC) simplifies NMPC by splitting the forced and the free responses of the trained ESN, yielding the so-called ESN-PNMPC architecture. While the free response is generated by the forward simulation of the ESN model, the forced response is obtained by a fast and recursive calculation of the input-output sensitivities from the ESN. The efficiency not only results from the fast training inherited by RC but also from a computationally cheap control action given by the aforementioned novel recursive formulation and the computation in the reduced dimension space of input and output signals. The resulting architecture, equipped with a correction filter, is robust to unforeseen disturbances. The potential of the ESN-PNMPC is shown by application to the control of the four-tank system and an oil production platform, outperforming the predictive approach with a long-short term memory (LSTM) model, two standard linear control algorithms, and approximate predictive control.

Echo State Networks for data-driven downhole pressure estimation in gas-lift oil wells.

Process measurements are of vital importance for monitoring and control of industrial plants. When we consider offshore oil production platforms, wells that require gas-lift technology to yield oil production from low pressure oil reservoirs can become unstable under some conditions. This undesirable phenomenon is usually called slugging flow, and can be identified by an oscillatory behavior of the downhole pressure measurement. Given the importance of this measurement and the unreliability of the related sensor, this work aims at designing data-driven soft-sensors for downhole pressure estimation in two contexts: one for speeding up first-principle model simulation of a vertical riser model; and another for estimating the downhole pressure using real-world data from an oil well from Petrobras based only on topside platform measurements. Both tasks are tackled by employing Echo State Networks (ESN) as an efficient technique for training Recurrent Neural Networks. We show that a single ESN is capable of robustly modeling both the slugging flow behavior and a steady state based only on a square wave input signal representing the production choke opening in the vertical riser. Besides, we compare the performance of a standard network to the performance of a multiple timescale hierarchical architecture in the second task and show that the latter architecture performs better in modeling both large irregular transients and more commonly occurring small oscillations.

Self-configuration and self-optimization process in heterogeneous wireless networks.

Self-organization in Wireless Mesh Networks (WMN) is an emergent research area, which is becoming important due to the increasing number of nodes in a network. Consequently, the manual configuration of nodes is either impossible or highly costly. So it is desirable for the nodes to be able to configure themselves. In this paper, we propose an alternative architecture for self-organization of WMN based on Optimized Link State Routing Protocol (OLSR) and the ad hoc on demand distance vector (AODV) routing protocols as well as using the technology of software agents. We argue that the proposed self-optimization and self-configuration modules increase the throughput of network, reduces delay transmission and network load, decreases the traffic of HELLO messages according to network's scalability. By simulation analysis, we conclude that the self-optimization and self-configuration mechanisms can significantly improve the performance of OLSR and AODV protocols in comparison to the baseline protocols analyzed.