Engineering 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 …

Utilizing Deep Learning Methods In The Identification And Synthesis Of Gene Regulations, Jiandong Wang

Theses and Dissertations

Gene expression is the fundamental differentiation and development process of life. Although all cells in an organism have essentially the same DNA, cell types and activities vary due to changes in gene expression. Gene expression can be influenced by many gene regulations. RNA editing contributes to the variety of RNA and proteins by allowing single nucleotide substitution. Reverse transcription can alter the expression status of genes by inducing genetic diversity and polymorphism via novel insertions, deletions, and recombination events. Gene regulation is critical to normal development because it enables cells to respond rapidly to environmental changes. However, identifying gene regulations …

Semantics-Based Data Security Models, Theppatorn Rhujittawiwat

Theses and Dissertations

In this dissertation, we studied how an adversary could attack databases and how the system could prevent or recover from such an attack. Our motivation to improve the current security capabilities of database management systems. We provided better recovery capabilities of database management systems by incorporating data provenance. We also expand our study to express security and privacy needs of data in the Internet of Things (IoT) environments such as a smart home environment. For this, we proposed a stream data security model to theoretically represent the data in the IoT network. We built a dynamic authorization model on our …

Cooperative Deep Q -Learning Framework For Environments Providing Image Feedback, Krishnan Raghavan, Vignesh Narayanan, Sarangapani Jagannathan

Publications

In this article, we address two key challenges in deep reinforcement learning (DRL) setting, sample inefficiency, and slow learning, with a dual-neural network (NN)-driven learning approach. In the proposed approach, we use two deep NNs with independent initialization to robustly approximate the action-value function in the presence of image inputs. In particular, we develop a temporal difference (TD) error-driven learning (EDL) approach, where we introduce a set of linear transformations of the TD error to directly update the parameters of each layer in the deep NN. We demonstrate theoretically that the cost minimized by the EDL regime is an approximation …