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Full-Text Articles in Engineering
Models And Machine Learning Techniques For Improving The Planning And Operation Of Electricity Systems In Developing Regions, Santiago Correa Cardona
Models And Machine Learning Techniques For Improving The Planning And Operation Of Electricity Systems In Developing Regions, Santiago Correa Cardona
Doctoral Dissertations
The enormous innovation in computational intelligence has disrupted the traditional ways we solve the main problems of our society and allowed us to make more data-informed decisions. Energy systems and the ways we deliver electricity are not exceptions to this trend: cheap and pervasive sensing systems and new communication technologies have enabled the collection of large amounts of data that are being used to monitor and predict in real-time the behavior of this infrastructure. Bringing intelligence to the power grid creates many opportunities to integrate new renewable energy sources more efficiently, facilitate grid planning and expansion, improve reliability, optimize electricity …
Benchmarking Small-Dataset Structure-Activity-Relationship Models For Prediction Of Wnt Signaling Inhibition, Mahtab Kokabi
Benchmarking Small-Dataset Structure-Activity-Relationship Models For Prediction Of Wnt Signaling Inhibition, Mahtab Kokabi
Masters Theses
Quantitative structure-activity relationship (QSAR) models based on machine learning algorithms are powerful tools to expedite drug discovery processes and therapeutics development. Given the cost in acquiring large-sized training datasets, it is useful to examine if QSAR analysis can reasonably predict drug activity with only a small-sized dataset (size < 100) and benchmark these small-dataset QSAR models in application-specific studies. To this end, here we present a systematic benchmarking study on small-dataset QSAR models built for prediction of effective Wnt signaling inhibitors, which are essential to therapeutics development in prevalent human diseases (e.g., cancer). Specifically, we examined a total of 72 two-dimensional (2D) QSAR models based on 4 best-performing algorithms, 6 commonly used molecular fingerprints, and 3 typical fingerprint lengths. We trained these models using a training dataset (56 compounds), benchmarked their performance on 4 figures-of-merit (FOMs), and examined their prediction accuracy using an external validation dataset (14 compounds). Our data show that the model performance is maximized when: 1) molecular fingerprints are selected to provide sufficient, unique, and not overly detailed representations of the chemical structures of drug compounds; 2) algorithms are selected to reduce the number of false predictions due to class imbalance in the dataset; and 3) models are selected to reach balanced performance on all 4 FOMs. These results may provide general guidelines in developing high-performance small-dataset QSAR models for drug activity prediction.
Autoplug: An Automated Metadata Service For Smart Outlets, Lurdh Pradeep Reddy Ambati
Autoplug: An Automated Metadata Service For Smart Outlets, Lurdh Pradeep Reddy Ambati
Masters Theses
Low-cost network-connected smart outlets are now available for monitoring, controlling, and scheduling the energy usage of electrical devices. As a result, such smart outlets are being integrated into automated home management systems, which remotely control them by analyzing and interpreting their data. However, to effectively interpret data and control devices, the system must know the type of device that is plugged into each smart outlet. Existing systems require users to manually input and maintain the outlet metadata that associates a device type with a smart outlet. Such manual operation is time-consuming and error-prone: users must initially inventory all outlet-to-device mappings, …