Computer Sciences Commons^™

Extending The Convolution In Graph Neural Networks To Solve Materials Science And Node Classification Problems, Steph-Yves Mike Louis

Theses and Dissertations

The usage of graph to represent one's data in machine learning has grown in popularity in both academia and the industry due to its inherent benefits. With its flexible nature and immediate translation to real life observed objects, graph representation had a considerable contribution in advancing the state-of-the-art performance of machine learning in materials.

In this dissertation proposal, we discuss how machines can learn from graph encoded data and provide excellent results through graph neural networks (GNN). Notably, we focus our adaptation of graph neural networks on three tasks: predicting crystal materials properties, nullifying the negative impact of inferior graph …

Predicting Material Structures And Properties Using Deep Learning And Machine Learning Algorithms, Yuqi Song

Theses and Dissertations

Discovering new materials and understanding their crystal structures and chemical properties are critical tasks in the material sciences. Although computational methodologies such as Density Functional Theory (DFT), provide a convenient means for calculating certain properties of materials or predicting crystal structures when combined with search algorithms, DFT is computationally too demanding for structure prediction and property calculation for most material families, especially for those materials with a large number of atoms. This dissertation aims to address this limitation by developing novel deep learning and machine learning algorithms for effective prediction of material crystal structures and properties. Our data-driven machine learning …

Learning Analytics Through Machine Learning And Natural Language Processing, Bokai Yang

Theses and Dissertations

The increase of computing power and the ability to log students’ data with the help of the computer-assisted learning systems has led to an increased interest in developing and applying computer science techniques for analyzing learning data. To understand and investigate how learning-generated data can be used to improve student success, data mining techniques have been applied to several educational tasks. This dissertation investigates three important tasks in various domains of educational data mining: learners’ behavior analysis, essay structure analysis and feedback providing, and learners’ dropout prediction. The first project applied latent semantic analysis and machine learning approaches to investigate …

Overview Of The Clpsych 2022 Shared Task: Capturing Moments Of Change In Longitudinal User Posts, Adam Tsakalidis, Jenny Chim, Iman Munire Bilal, Ayah Zirikly, Dana Atzil-Slonim, Federico Nanni, Philip Resnik, Manas Gaur, Kaushik Roy, Becky Inkster, Jeff Leintz, Maria Liakata

Publications

We provide an overview of the CLPsych 2022 Shared Task, which focusses on the automatic identification of Moments of Change in longitudinal posts by individuals on social media and its connection with information regarding mental health . This year's task introduced the notion of longitudinal modelling of the text generated by an individual online over time, along with appropriate temporally sensitive evaluation metrics. The Shared Task consisted of two subtasks: (a) the main task of capturing changes in an individual's mood (drastic changes-`Switches'- and gradual changes -`Escalations'- on the basis of textual content shared online; and subsequently (b) the sub-task …

Human Activity Recognition (Har) Using Wearable Sensors And Machine Learning, Chrisogonas Odero Odhiambo

Theses and Dissertations

Humans engage in a wide range of simple and complex activities. Human Activity Recognition (HAR) is typically a classification problem in computer vision and pattern recognition, to recognize various human activities. Recent technological advancements, the miniaturization of electronic devices, and the deployment of cheaper and faster data networks have propelled environments augmented with contextual and real-time information, such as smart homes and smart cities. These context-aware environments, alongside smart wearable sensors, have opened the door to numerous opportunities for adding value and personalized services to citizens. Vision-based and sensory-based HAR find diverse applications in healthcare, surveillance, sports, event analysis, Human-Computer …

Applications Of Machine Learning For Improved Patient Selection And Therapy Recommendations, Brendan Elochukwu Odigwe

Theses and Dissertations

The public health domain continues to battle with illness and the growing need for continuous advancement in our approach to clinical care. Individuals experiencing certain conditions undergo tried and tested therapies and medications, practices that have become the mainstay and standard of care in clinical medicine. As with all therapies and medications, they don't always work the same way and do not work for everyone. Some Treatment regimens, like Hydroxyurea medication, which is commonly administered to Sickle cell anemia patients, come with some adverse side effects due to the chemotherapeutic nature of the drug. This would be particularly disappointing if …

Deep Learning Based Generative Materials Design, Yong Zhao

Theses and Dissertations

Discovery of novel functional materials is playing an increasingly important role in many key industries such as lithium batteries for electric vehicles and cell phones. However experimental tinkering of existing materials or Density Functional Theory (DFT) based screening of known crystal structures, two of the major current materials design approaches, are both severely constrained by the limited scale (around 250,000 in ICSD database) and diversity of existing materials and the lack of a sufficient number of materials with annotated properties. How to generate a large number of physically feasible, stable, and synthesizable crystal materials and build accurate property prediction models …

Algorithmic Robot Design: Label Maps, Procrustean Graphs, And The Boundary Of Non-Destructiveness, Shervin Ghasemlou

Theses and Dissertations

This dissertation is focused on the problem of algorithmic robot design. The process of designing a robot or a team of robots that can reliably accomplish a task in an environment requires several key elements. How the problem is formulated can play a big role in the design process. The ability of the model to correctly reflect the environment, the events, and different pieces of the problem is crucial. Another key element is the ability of the model to show the relationship between different designs of a single system. These two elements can enable design algorithms to navigate through the …

Machine Learning Based Disease Gene Identification And Mhc Immune Protein-Peptide Binding Prediction, Zhonghao Liu

Theses and Dissertations

Machine learning and deep learning methods have been increasingly applied to solve challenging and important bioinformatics problems such as protein structure prediction, disease gene identification, and drug discovery. However, the performances of existing machine learning based predictive models are still not satisfactory. The question of how to exploit the specific properties of bioinformatics data and couple them with the unique capabilities of the learning algorithms remains elusive. In this dissertation, we propose advanced machine learning and deep learning algorithms to address two important problems: mislocation-related cancer gene identification and major histocompatibility complex-peptide binding affinity prediction. Our first contribution proposes a …