Matching Items (6)
Description
A Graph Neural Network (GNN) is a type of neural network architecture that operates on data consisting of objects and their relationships, which are represented by a graph. Within the graph, nodes represent objects and edges represent associations between those objects. The representation of relationships and correlations between data is unique to graph structures. GNNs exploit this feature of graphs by augmenting both forms of data, individual and relational, and have been designed to allow for communication and sharing of data within each neural network layer. These benefits allow each node to have an enriched perspective, or a better understanding, of its neighbouring nodes and its connections to those nodes. The ability of GNNs to efficiently process high-dimensional node data and multi-faceted relationships among nodes gives them advantages over neural network architectures such as Convolutional Neural Networks (CNNs) that do not implicitly handle relational data. These quintessential characteristics of GNN models make them suitable for solving problems in which the correspondences among input data are needed to produce an accurate and precise representation of these data. GNN frameworks may significantly improve existing communication and control techniques for multi-agent tasks by implicitly representing not only information associated with the individual agents, such as agent position, velocity, and camera data, but also their relationships with one another, such as distances between the agents and their ability to communicate with one another. One such task is a multi-agent navigation problem in which the agents must coordinate with one another in a decentralized manner, using proximity sensors only, to navigate safely to their intended goal positions in the environment without collisions or deadlocks. The contribution of this thesis is the design of an end-to-end decentralized control scheme for multi-agent navigation that utilizes GNNs to prevent inter-agent collisions and deadlocks. The contributions consist of the development, simulation and evaluation of the performance of an advantage actor-critic (A2C) reinforcement learning algorithm that employs actor and critic networks for training that simultaneously approximate the policy function and value function, respectively. These networks are implemented using GNN frameworks for navigation by groups of 3, 5, 10 and 15 agents in simulated two-dimensional environments. It is observed that in $40\%$ to $50\%$ of the simulation trials, between 70$\%$ to 80$\%$ of the agents reach their goal positions without colliding with other agents or becoming trapped in deadlocks. The model is also compared to a random run simulation, where actions are chosen randomly for the agents and observe that the model performs notably well for smaller groups of agents.
ContributorsAyalasomayajula, Manaswini (Author) / Berman, Spring (Thesis advisor) / Mian, Sami (Committee member) / Pavlic, Theodore (Committee member) / Arizona State University (Publisher)
Created2022
Description
Graph neural networks (GNN) offer a potential method of bypassing the Kohn-Sham equations in density functional theory (DFT) calculations by learning both the Hohenberg-Kohn (HK) mapping of electron density to energy, allowing for calculations of much larger atomic systems and time scales and enabling large-scale MD simulations with DFT-level accuracy. In this work, we investigate the feasibility of GNNs to learn the HK map from the external potential approximated as Gaussians to the electron density π(π), and the mapping from π(π) to the energy density π(π) using Pytorch Geometric. We develop a graph representation for densities on radial grid points and determine that a k-nearest neighbor algorithm for determining node connections is an effective approach compared to a distance cutoff model, having an average graph size of 6.31 MB and 32.0 MB for datasets with π = 10 and π = 50 respectively. Furthermore, we develop two GNNs in Pytorch Geometric, and demonstrate a decrease in training losses for a π(π) to π(π) of 8.52 Β· 10^14 and 3.10 Β· 10^14 for π = 10 and π = 20 datasets respectively, suggesting the model could be further trained and optimized to learn the electron density to energy functional.
ContributorsHayes, Matthew (Author) / Muhich, Christopher (Thesis director) / Oswald, Jay (Committee member) / Barrett, The Honors College (Contributor) / Chemical Engineering Program (Contributor) / School of Mathematical and Statistical Sciences (Contributor)
Created2023-05
Description
Dealing with relational data structures is central to a wide-range of applications including social networks, epidemic modeling, molecular chemistry, medicine, energy distribution, and transportation. Machine learning models that can exploit the inherent structural/relational bias in the graph structured data have gained prominence in recent times. A recurring idea that appears in all approaches is to encode the nodes in the graph (or the entire graph) as low-dimensional vectors also known as embeddings, prior to carrying out downstream task-specific learning. It is crucial to eliminate hand-crafted features and instead directly incorporate the structural inductive bias into the deep learning architectures.
In this dissertation, deep learning models that directly operate on graph structured data are proposed for effective representation learning. A literature review on existing graph representation learning is provided in the beginning of the dissertation. The primary focus of dissertation is on building novel graph neural network architectures that are robust against adversarial attacks. The proposed graph neural network models are extended to multiplex graphs (heterogeneous graphs). Finally, a relational neural network model is proposed to operate on a human structural connectome. For every research contribution of this dissertation, several empirical studies are conducted on benchmark datasets. The proposed graph neural network models, approaches, and architectures demonstrate significant performance improvements in comparison to the existing state-of-the-art graph embedding strategies.
ContributorsShanthamallu, Uday Shankar (Author) / Spanias, Andreas (Thesis advisor) / Thiagarajan, Jayaraman J (Committee member) / TepedelenlioΔlu, Cihan (Committee member) / Berisha, Visar (Committee member) / Arizona State University (Publisher)
Created2021
Description
This project aspires to develop an AI capable of playing on a variety of maps in a Risk-like board game. While AI has been successfully applied to many other board games, such as Chess and Go, most research is confined to a single board and is inflexible to topological changes. Further, almost all of these games are played on a rectangular grid. Contrarily, this project develops an AI player, referred to as GG-net, to play the online strategy game Warzone, which is based on the classic board game Risk. Warzone is played on a wide variety of irregularly shaped maps. Prior research has struggled to create an effective AI for Risk-like games due to the immense branching factor. The most successful attempts tended to rely on manually restricting the set of actions the AI considered while also engineering useful features for the AI to consider. GG-net uses no human knowledge, but rather a genetic algorithm combined with a graph neural network. Together, these methods allow GG-net to perform competitively across a multitude of maps. GG-net outperformed the built-in rule-based AI by 413 Elo (representing an 80.7% chance of winning) and an approach based on AlphaZero using graph neural networks by 304 Elo (representing a 74.2% chance of winning). This same advantage holds across both seen and unseen maps. GG-net appears to be a strong opponent on both small and medium maps, however, on large maps with hundreds of territories, inefficiencies in GG-net become more significant and GG-net struggles against the rule-based approach. Overall, GG-net was able to successfully learn the game and generalize across maps of a similar size, albeit further work is required for GG-net to become more successful on large maps.
ContributorsBauer, Andrew (Author) / Yang, Yezhou (Thesis director) / Harrison, Blake (Committee member) / Barrett, The Honors College (Contributor) / Computer Science and Engineering Program (Contributor) / School of Mathematical and Statistical Sciences (Contributor)
Created2022-05
Description
Graph-structured data, ranging from social networks to financial transaction networks, from citation networks to gene regulatory networks, have been widely used for modeling a myriad of real-world systems. As a prevailing model architecture to model graph-structured data, graph neural networks (GNNs) has drawn much attention in both academic and industrial communities in the past decades. Despite their success in different graph learning tasks, existing methods usually rely on learning from ``big'' data, requiring a large amount of labeled data for model training. However, it is common that real-world graphs are associated with ``small'' labeled data as data annotation and labeling on graphs is always time and resource-consuming. Therefore, it is imperative to investigate graph machine learning (Graph ML) with low-cost human supervision for low-resource settings where limited or even no labeled data is available. This dissertation investigates a new research field -- Data-Efficient Graph Learning, which aims to push forward the performance boundary of graph machine learning (Graph ML) models with different kinds of low-cost supervision signals. To achieve this goal, a series of studies are conducted for solving different data-efficient graph learning problems, including graph few-shot learning, graph weakly-supervised learning, and graph self-supervised learning.
ContributorsDing, Kaize (Author) / Liu, Huan (Thesis advisor) / Xue, Guoliang (Committee member) / Yang, Yezhou (Committee member) / Caverlee, James (Committee member) / Arizona State University (Publisher)
Created2023
Description
Multi-robot systems show great promise in performing complex tasks in areas ranging from search and rescue to interplanetary exploration. Yet controlling and coordinating the behaviors of these robots effectively is an open research problem. This research investigates techniques to control a multi-drone system where the drones learn to act in a physics-based simulator using demonstrations from artificially generated motion data that simulate flocking behavior in biological swarms. Using these demonstrations enables faster training than approaches where the agents start learning from scratch. The Graph Neural Network (GNN) controller used for the drones learns an efficient representation of low-level interactions in the system, allowing the proposed method to scale to more agents than in training data. This work also discusses techniques to improve performance in the face of real-world challenges such as sensor noise.
ContributorsKhopkar, Parth (Author) / Ben Amor, Heni H (Thesis advisor) / Pavlic, Theodore T (Committee member) / Zhou, Siyu S (Committee member) / Arizona State University (Publisher)
Created2021