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 …

Tutorial: Neuro-Symbolic Ai For Mental Healthcare, Kaushik Roy, Usha Lokala, Manas Gaur, Amit Sheth

Publications

Artificial Intelligence (AI) systems for mental healthcare (MHCare) have been ever-growing after realizing the importance of early interventions for patients with chronic mental health (MH) conditions. Social media (SocMedia) emerged as the go-to platform for supporting patients seeking MHCare. The creation of peer-support groups without social stigma has resulted in patients transitioning from clinical settings to SocMedia supported interactions for quick help. Researchers started exploring SocMedia content in search of cues that showcase correlation or causation between different MH conditions to design better interventional strategies. User-level Classification-based AI systems were designed to leverage diverse SocMedia data from various MH conditions, …

Learning To Automate Follow-Up Question Generation Using Process Knowledge For Depression Triage On Reddit Posts, Shrey Gupta, Anmol Agarwal, Manas Gaur, Kaushik Roy, Vignesh Narayanan, Ponnurangam Kumaraguru, Amit Sheth

Publications

Conversational Agents (CAs) powered with deep language models (DLMs) have shown tremendous promise in the domain of mental health. Prominently, the CAs have been used to provide informational or therapeutic services (e.g., cognitive behavioral therapy) to patients. However, the utility of CAs to assist in mental health triaging has not been explored in the existing work as it requires a controlled generation of follow-up questions (FQs), which are often initiated and guided by the mental health professionals (MHPs) in clinical settings. In the context of `depression', our experiments show that DLMs coupled with process knowledge in a mental health questionnaire …

Cnn-Based Dendrite Core Detection From Microscopic Images Of Directionally Solidified Ni-Base Alloys, Xiaoguang Li

Theses and Dissertations

Dendrite core is the center point of the dendrite. The information of dendrite core is very helpful for material scientists to analyze the properties of materials. Therefore, detecting the dendrite core is a very important task in the material science field. Meanwhile, because of some special properties of the dendrites, this task is also very challenging. Different from the typical detection problems in the computer vision field, detecting the dendrite core aims to detect a single point location instead of the bounding-box. As a result, the existing regressing bounding-box based detection methods can not work well on this task because …

Empirical Studies On Automated Software Testing Practices, Alireza Salahirad

Theses and Dissertations

Software testing is notoriously difficult and expensive, and improper testing carries economic, legal, and even environmental or medical risks. Research in software testing is critical to enabling the development of the robust software that our society relies upon. This dissertation aims to lower the cost of software testing without decreasing the quality by focusing on the use of automation. The dissertation consists of three empirical studies on aspects of software testing. Specifically, these three projects focus on (1) mapping the connections between research topics and the evolution of research topics in the field of software testing, (2) an assessment of …

Cnn-Based Semantic Segmentation With Shape Prior Knowledge, Yuhang Lu

Theses and Dissertations

Semantic segmentation that aims at grouping discrete pixels into connected regions is a fundamental step in many high-level computer vision tasks. In recent years, Convolutional Neural Networks (CNNs) have made breakthrough progresses in public semantic segmentation benchmarks. The ability of learning from large-scale labeled datasets empowers them to generalize to unseen images better than traditional nonlearning-based methods. Nevertheless, the heavy dependency on labeled data also limits their applications in tasks where high-quality ground truth segmentation masks are scarce or difficult to acquire. In this dissertation, we study the problem of alleviating the data dependency for CNN-based segmentation with a focus …

Cross Domain Semantic Segmentation, Xinyi Wu

Theses and Dissertations

As a long-standing computer vision task, semantic segmentation is still extensively researched till now because of its importance to visual understanding and analysis. The goal of semantic segmentation is to classify each pixel of images based on the pre-defined classes. In the era of deep learning, convolutional neural networks largely improve the accuracy and efficiency of semantic segmentation. However, this success is achieved with two limitations: 1) a large-scale labeled dataset is required for training while the labeling process for this task is quite labor-intensive and tedious; 2) the trained deep networks can get promising results when testing on the …

Identifying And Discovering Curve Pattern Designs From Fragments Of Pottery, Jun Zhou

Theses and Dissertations

The surface of many cultural heritage objects, such as pottery sherds found in the Southeastern Woodlands, were embellished with curve patterns. The original full designs of these patterns reflect rich historical and cultural information. However, in practice, most objects are fragmentary, making the complete underlying designs unknowable at the scale of the sherd fragment. The challenge to reconstruct and study complete designs is stymied because 1) most pottery sherds contain only a small portion of the underlying full design, 2) curve patterns detected on a sherd are usually incomplete and noisy, and 3) in the case of a stamping application, …

Knowledge-Infused Learning, Manas Gaur

Theses and Dissertations

In DARPA’s view of the three waves of AI, the first wave of AI, symbolic AI, focused on explicit knowledge. The second and current wave of AI is termed statistical AI. Deep learning techniques have been able to exploit large amounts of data and massive computational power to improve human levels of performance in narrowly defined tasks. Separately, knowledge graphs have emerged as a powerful tool to capture and exploit a variety of explicit knowledge to make algorithms better apprehend the content and enable the next generation of data processing, such as semantic search. After initial hesitancy about the scalability …

Image Restoration Under Adverse Illumination For Various Applications, Lan Fu

Theses and Dissertations

Many images are captured in sub-optimal environment, resulting in various kinds of degradations, such as noise, blur, and shadow. Adverse illumination is one of the most important factors resulting in image degradation with color and illumination distortion or even unidentified image content. Degradation caused by the adverse illumination makes the images suffer from worse visual quality, which might also lead to negative effects on high-level perception tasks, e.g., object detection.

Image restoration under adverse illumination is an effective way to remove such kind of degradations to obtain visual pleasing images. Existing state-of-the-art deep neural networks (DNNs) based image restoration …

Learning Depth From Images, Zhenyao Wu

Theses and Dissertations

Estimating depth from images has become a very popular task in computer vision which aims to restore the 3D scene from 2D images and identify important geometric knowledge of the scene. Its performance has been significantly improved by convolutional neural networks in recent years, which surpass the traditional methods by a large margin. However, the natural scenes are usually complicated, and hard to build the correspondence between pixels across frames, such as the region containing moving objects, illumination changes, occlusions, and reflections. This research explores rich and comprehensive spatial correspondence across images and designs three new network architectures for depth …

Scalable Deeper Graph Neural Networks For High-Performance Materials Property Prediction, Sadman Sadeed Omee, Steph-Yves Louis, Nihang Fu, Lai Wei, Sourin Dey, Rongzhi Dong, Qinyang Li, Jianjun Hu

Faculty Publications

Machine-learning-based materials property prediction models have emerged as a promising approach for new materials discovery, among which the graph neural networks (GNNs) have shown the best performance due to their capability to learn high-level features from crystal structures. However, existing GNN models suffer from their lack of scalability, high hyperparameter tuning complexity, and constrained performance due to over-smoothing. We propose a scalable global graph attention neural network model DeeperGATGNN with differentiable group normalization (DGN) and skip connections for high-performance materials property prediction. Our systematic benchmark studies show that our model achieves the state-of-the-art prediction results on five out of six …

Concurrent Identification, Characterization, And Reconstruction Of Protein Structure And Mixed-Mode Dynamics From Rdc Data Using Redcraft, Hanin Rafiq Omar

Theses and Dissertations

A complete understanding of the structure-function relationship of proteins requires an analysis of their dynamic behaviors and the static structure. However, all current approaches to studying dynamics in proteins have their shortcomings. A conceptually attractive and alternative approach simultaneously characterizes a protein's structure and its intrinsic dynamics⁠. Ideally, such an approach could solely rely on RDC data-carrying both structural and dynamical information. The major bottleneck in utilizing RDC data in recent years has been attributed to a lack of RDC analysis tools capable of extracting the pertinent information embedded within this complex data source.

Here we present a comprehensive strategy …

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 …

On Providing Efficient Real-Time Solutions To Motion Planning Problems Of High Complexity, Marios Xanthidis

Theses and Dissertations

The holy grail of robotics is producing robotic systems capable of efficiently executing all the tasks that are hard, or even impossible, for humans. Humans, undoubtedly, from both a hardware and software perspective, are extremely complex systems capable of executing many complicated tasks. Thus, the complexity of many state-of-the-art robotic systems is also expected to progressively increase, with the goal to match or even surpass human abilities. Recent developments have emphasized mostly hardware, providing highly complex robots with exceptional capabilities. On the other hand, they have illustrated that one important bottleneck of realizing such systems as a common reality is …

Robot Area Coverage Path Planning In Aquatic Environments, Nare Karapetyan

Theses and Dissertations

This thesis is motivated by real world problems faced in aquatic environments. It addresses the problem of area coverage path planning with robots - the problem of moving an end-effector of a robot over all available space while avoiding existing obstacles. The problem is considered first in a 2D space with a single robot for specific environmental monitoring operations, and then with multi-robot systems — a known NP-complete problem. Next we tackle the coverage problem in 3D space - a step towards underwater mapping of shipwrecks or monitoring of coral reefs.

The first part of this thesis leverages human expertise …

Intelligent Optimization Algorithm-Based Path Planning For A Mobile Robot, Qisong Song, Shaobo Li, Jing Yang, Qiang Bai, Jianjun Hu, Xingxing Zhang, Ansi Zhang

Faculty Publications

The purpose of mobile robot path planning is to produce the optimal safe path. However, mobile robots have poor real-time obstacle avoidance in local path planning and longer paths in global path planning. In order to improve the accuracy of real-time obstacle avoidance prediction of local path planning, shorten the path length of global path planning, reduce the path planning time, and then obtain a better safe path, we propose a real-time obstacle avoidance decision model based on machine learning (ML) algorithms, an improved smooth rapidly exploring random tree (S-RRT) algorithm, and an improved hybrid genetic algorithm-ant colony optimization (HGA-ACO). …

High-Throughput Discovery Of Novel Cubic Crystal Materials Using Deep Generative Neural Networks, Yong Zhao, Mohammed Al-Fahdi, Ming Hu, Edirisuriya M.D. Siriwardane, Yuqi Song, Alireza Nasiri, Jianjun Hu

Faculty Publications

High-throughput screening has become one of the major strategies for the discovery of novel functional materials. However, its effectiveness is severely limited by the lack of sufficient and diverse materials in current materials repositories such as the open quantum materials database (OQMD). Recent progress in deep learning have enabled generative strategies that learn implicit chemical rules for creating hypothetical materials with new compositions and structures. However, current materials generative models have difficulty in generating structurally diverse, chemically valid, and stable materials. Here we propose CubicGAN, a generative adversarial network (GAN) based deep neural network model for large scale generative design …

Mlatticeabc: Generic Lattice Constant Prediction Of Crystal Materials Using Machine Learning, Yuxin Li, Wenhui Yang, Rongzhi Dong, Jianjun Hu

Faculty Publications

Lattice constants such as unit cell edge lengths and plane angles are important parameters of the periodic structures of crystal materials. Predicting crystal lattice constants has wide applications in crystal structure prediction and materials property prediction. Previous work has used machine learning models such as neural networks and support vector machines combined with composition features for lattice constant prediction and has achieved a maximum performance for cubic structures with an average coefficient of determination (R2) of 0.82. Other models tailored for special materials family of a fixed form such as ABX3 perovskites can achieve much higher performance due …

Unified Multi-Objective Genetic Algorithm For Energy Efficient Job Shop Scheduling, Hongjong Wei, Shaobo Li, Huageng Quan, Dacheng Liu, Shu Rao, Chuanjiang Li, Jianjun Hu

Faculty Publications

In recent years, people have paid more and more attention to traditional manufacturing’s environmental impact, especially in terms of energy consumption and related emissions of carbon dioxide. Except for adopting new equipment, production scheduling could play an important role in reducing the total energy consumption of a manufacturing plant. Machine tools waste a considerable amount of energy because of their underutilization. Consequently, energy saving can be achieved by switching machines to standby or off when they lay idle for a comparatively long period. Herein, we first introduce the objectives of minimizing non-processing energy consumption, total weighted tardiness and earliness, and …

Multi-Robot Coordination With Environmental Disturbances, Adem Coskun

Theses and Dissertations

Multi-robot systems are increasingly deployed in environments where they interact with humans. From the perspective of a robot, such interaction could be considered a disturbance that causes a well-planned trajectory to fail. This dissertation addresses the problem of multi-robot coordination in scenarios where the robots may experience unexpected delays in their movements.

Prior work by Čáp, Gregoire, and Frazzoli introduced a control law, called RMTRACK, which enables robots in such scenarios to execute pre-planned paths in spite of disturbances that affect the execution speed of each robot while guaranteeing that each robot can reach its goal without collisions and without …

Deep Learning Based Sound Event Detection And Classification, Alireza Nasiri

Theses and Dissertations

Hearing sense has an important role in our daily lives. During the recent years, there has been many studies to transfer this capability to the computers. In this dissertation, we design and implement deep learning based algorithms to improve the ability of the computers in recognizing the different sound events.

In the first topic, we investigate sound event detection, which identifies the time boundaries of the sound events in addition to the type of the events. For sound event detection, we propose a new method, AudioMask, to benefit from the object-detection techniques in computer vision. In this method, we convert …

Identify Rna-Associated Subcellular Localizations Based On Multi-Label Learning Using Chou’S 5-Steps Rule, Hao Wang, Yijie Ding, Jijun Tang Ph.D., Quan Zou, Fei Guo

Faculty Publications

Background: Biological functions of biomolecules rely on the cellular compartments where they are located in cells. Importantly, RNAs are assigned in specific locations of a cell, enabling the cell to implement diverse biochemical processes in the way of concurrency. However, lots of existing RNA subcellular localization classifiers only solve the problem of single-label classification. It is of great practical significance to expand RNA subcellular localization into multi-label classification problem.

Results: In this study, we extract multi-label classification datasets about RNA-associated subcellular localizations on various types of RNAs, and then construct subcellular localization datasets on four RNA categories. In order to …

Semantics Of The Black-Box: Can Knowledge Graphs Help Make Deep Learning Systems More Interpretable And Explainable?, Manas Gaur, Keyur Faldu, Amit Sheth

Publications

The recent series of innovations in deep learning (DL) have shown enormous potential to impact individuals and society, both positively and negatively. The DL models utilizing massive computing power and enormous datasets have significantly outperformed prior historical benchmarks on increasingly difficult, well-defined research tasks across technology domains such as computer vision, natural language processing, signal processing, and human-computer interactions. However, the Black-Box nature of DL models and their over-reliance on massive amounts of data condensed into labels and dense representations poses challenges for interpretability and explainability of the system. Furthermore, DLs have not yet been proven in their ability to …

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 …

Lablineup: An Intuitive Web Application For Queueing Help Requests In Academic Labs, Graham Mcdonald

Senior Theses

LabLineup is a start-up project designed to address the needs of large, lab-based classes, where teaching assistants (TAs) struggle to assist students in the order in which they request help. LabLineup is a lightweight web application that allows TAs and professors to accept requests for help in order. LabLineup allows professors to view the requests for a lab and see frequently asked questions that can be addressed en masse rather than individually. LabLineup also allows students to provide TA feedback. LabLineup addresses issues arising from requesting help in large, lab-based classes in the most efficient manner possible.