Theory and Algorithms Commons^™

Computational Insights Into Nucleosome Dynamics In Epigenetics Using Molecular Dynamics Simulations, Rutika Patel

Dissertations, Theses, and Capstone Projects

Nucleosome core particles (NCP) are the building blocks that form a highly organized and compact chromatin structure. Nucleosomes package DNA in the nucleus of eukaryotic cells. The NCP consists of about 147 base pairs of DNA wrapped around the histone octamer, with 1.65 superhelical turns in a left-handed manner. The histone octamer is composed of two copies of H3, H4, H2A, and H2B. Together with histone H1 and linker DNA, they further assemble into a higher-order chromatin structure. The nucleosome complex is stabilized by electrostatic interactions between positively charged histone residues and the negatively charged DNA backbone. To effectively access …

Crab: A Novel Clustering Score Using Clustering With Rivals And Buddies For Unsupervised Learning, Allen Choi

Master's Theses

Unsupervised clustering algorithms today are used across a wide variety of fields such as biology, engineering, and industry in order to classify observations into groups where labels are not provided. This can provide important latent information regarding the observations within groups, as well as insight regarding the groups themselves. In order to judge the optimal number of clusters for an unsupervised clustering algorithm, many methods exist such as the Elbow Method and Silhouette Score; however, these methods come with drawbacks and are not necessarily flexible across many unsupervised methods. We present a novel clustering score framework relying on a resampling-based …

A General Weighting Theory For Ensemble Learning: Beyond Variance Reduction Via Spectral And Geometric Structure, Ernest Fokoue

Articles

Ensemble learning is traditionally justified as a variance-reduction strategy, explaining its strong performance for unstable predictors such as decision trees. This explanation, however, does not account for ensembles constructed from intrinsically stable estimators-including smoothing splines, kernel ridge regression, Gaussian process regression, and other regularized reproducing kernel Hilbert space (RKHS) methods whose variance is already tightly controlled by regularization and spectral shrinkage. This paper develops a general weighting theory for ensemble learning that moves beyond classical variance-reduction arguments. We formalize ensembles as linear operators acting on a hypothesis space and endow the space of weighting sequences with geometric and spectral constraints. …

On Fibonacci Ensembles: An Alternative Approach To Ensemble Learning Inspired By The Timeless Architecture Of The Golden Ratio, Ernest Fokoue

Articles

Nature rarely reveals her secrets bluntly, yet in the Fibonacci sequence she grants us a glimpse of her quiet architecture of growth, harmony, and recursive stability \citep{Koshy2001Fibonacci, Livio2002GoldenRatio}. From spiral galaxies to the unfolding of leaves, this humble sequence reflects a universal grammar of balance. In this work, we introduce \emph{Fibonacci Ensembles}, a mathematically principled yet philosophically inspired framework for ensemble learning that complements and extends classical aggregation schemes such as bagging, boosting, and random forests \citep{Breiman1996Bagging, Breiman2001RandomForests, Friedman2001GBM, Zhou2012Ensemble, HastieTibshiraniFriedman2009ESL}. Two intertwined formulations unfold: (1) the use of normalized Fibonacci weights -- tempered through orthogonalization and Rao--Blackwell optimization -- …

Algorithmic Trading In Idiosyncratic-Payoff Markets: A Multi-Agent System For On-Chain Prediction Contracts, Saif Aldeen A.K. Agha

CMC Senior Theses

This thesis documents the design, deployment, and forward-test evaluation of an evolutionary multi-agent algorithmic trading system on Polymarket, the largest decentralized prediction market. The system pairs a locally-hosted 72-billion-parameter language model with a gradient-boosted statistical filter and an evolutionary selection mechanism that maintains a population of approximately 500 autonomous trading agents. Each agent generates a probability estimate for an event, compares it to the prevailing market price, and trades the resulting disagreement.

The central empirical exercise estimates a panel regression of trade-level profit on the absolute disagreement between the agent's probability estimate and the market price, controlling for agent identity, …

The Excess Path Length Distribution: A Stochastic Model For Sample-Based Path Planners, Chaz B. Cornwall

Dissertations, Master's Theses and Master's Reports

Through random sampling, sample-based path planners enable autonomous agents to quickly find paths without human intervention. However, due to the paths' randomness, sample-based path planners currently require additional verification, partially nullifying agents' ability to act autonomously. I set out to characterize this uncertainty so humans know what to expect from these path planners and know how to alter the path planner to desired specifications. To ensure the results are theoretical as well as practical, I first create a stochastic model of path length uncertainty using the trade-off between sampling time and optimality. By leveraging this model, my proposed algorithm reduces …

Variational Autoencoder Inverse Mapper For Extraction Of Compton Form Factors: Benchmarks And Conditional Learning, Douglas Adams, Md Fayaz Bin Hossen, Joshua Bautista, Gia-Wei Chern, Simonetta Liuti, Marie Boër, Marija Čuić, Michael Engelhardt, Gary R. Goldstein, Huey-Wen Lin, Yaohang Li

Computer Science Faculty Publications

Deeply virtual exclusive scattering processes (DVES) serve as precise probes of nucleon quark and gluon distributions in coordinate space. These distributions are derived from generalized parton distributions (GPDs) via Fourier transform relative to proton momentum transfer. QCD factorization theorems enable DVES to be parameterized by Compton form factors (CFFs), which are convolutions of GPDs with perturbatively calculable kernels. Accurate extraction of CFFs from DVCS, benefiting from interference with the Bethe–Heitler (BH) process and a simpler final state structure, is essential for inferring GPDs. This paper focuses on extracting CFFs from DVCS data using a variational autoencoder inverse mapper (VAIM) and …

Coupled Machine Learning Models: Combining Observations And Numerical Analysis In A Physics-Regularized Approach, Austin B. Schmidt

LSU New Orleans Theses and Dissertations

This dissertation investigates surrogate modeling for fixed-location environmental forecasting using novel data-combination techniques. The work surveys the landscape of observational measurements and numerically generated data, identifying similar research and gaps in current methodologies. The ratio-coupled training framework is introduced to combine two data sources per predicted feature through a tunable parameter that weights training signal strength. An optimization scheme is developed to simultaneously tune surrogate weights and the coupled signal ratio, allowing relative influence between signals to act as an explicit regularizer. Three case studies demonstrate the methodology and approach in a variety of contexts. The first study is based …

Heuristic Weight Initialization For Transfer Learning In Classification Problems, Musulmon Lolaev, Anand Paul, Jeonghong Kim

School of Public Health Faculty Publications

Transfer learning is the predominant method for adapting pre-trained models on another task to new domains while preserving their internal architectures and augmenting them with requisite layers in Deep Neural Network models. Training intricate pre-trained models on a sizable dataset requires significant resources to fine-tune hyperparameters carefully. Most existing initialization methods mainly focus on gradient flow-related problems, such as gradient vanishing or exploding, or other existing approaches that require extra models that do not consider our setting, which is more practical. To address these problems, we suggest employing gradient-free heuristic methods to initialize the weights of the final new-added fully …

Advancing Real-World Implementation Of The Well Optimized Linear Finder (Wolf) High-Speed Atmospheric Turbulence Compensation Method, Timothy Evan Coon

Theses and Dissertations

This dissertation advances the real-world implementation of the Well Optimized Linear Finder (WOLF) method for high-speed Atmospheric Turbulence Compensation (ATC). Atmospheric turbulence introduces phase aberrations into optical wavefronts and degrades image quality in terrestrial imaging systems. Traditional phase diversity methods are computationally intensive and poorly suited to real-time operation. The WOLF method addresses these limitations through a novel, point-wise formulation of the optical transfer function (OTF) as a structured autocorrelation of the generalized pupil function (GPF). This formulation enables the estimation of phase aberrations at individual spatial coordinates with distributed computational complexity.

The research begins by developing a MATLAB-based simulation …

Syntax-Enhanced Boundary-Aware Named Entity Recognition Model, Chuanming Yu, Bin Deng, Zhengang Zhang

Journal of Scientific Information Research

[Purpose/significance] This study addresses the issue of inadequate perception of entity boundaries in traditional character-level modeling-based named entity recognition models by integrating syntax information containing entity boundary features into the task using a multi-head graph attention network with dense connections. This integration enhances the effectiveness of named entity recognition.

[Method/process] This study proposes a Syntax-enhanced Boundary-aware Named Entity Recognition Model (SynBNER), which utilizes BERT for text semantic representation and integrates syntax information using a dense-connected graph attention network. This integration incorporates implicit entity boundary information from syntax information into word representations, thereby enhancing the model's entity boundary perception capability.

[Result/conclusion] …

Property Testing Ai: An Efficient Frontier, Paul Sopher Lintilhac

Dartmouth College Ph.D Dissertations

In this dissertation, we take a step towards addressing the major problem of a lack of standardized and rigorous approaches to testing and evaluation of AI systems. Taking inspiration from both the fields of Property Testing and Property Based Testing (for programs), we develop a novel taxonomy of partially overlapping classes of properties of AI systems, including simple properties, compound properties, higher order properties, data relation properties, and architecture-utility properties. We argue that this taxonomy categorizes a diverse set of AI traits -- including accuracy, fairness, robustness, monotonicity, point-wise and global privacy properties, sensitivity, and more -- according to the …

Topodino: Self-Supervised Topological Representation Learning For Neuronal Morphologies, Yasser Binbisher

Master's Theses

Neuronal cell types are categorized by transcriptomic identity, yet their morphological heterogeneity defies this classification. In response, researchers have adopted unsupervised graph representation learning as a tool to reveal morphological variation within single-class transcriptomic types. However, the complex geometry of neuronal morphology—especially long axons and dense dendrites—challenges graph neural networks, which struggle with message propagation across extended structures. To mitigate this, current approaches enforce sub-sampling on neuronal graphs and omit axons entirely, sacrificing critical biological features for computational efficiency. To overcome this trade-off, this thesis introduces TopoDINO, a self-supervised, topology-aware representation learning model designed to preserve the full hierarchical organization …

Maximal Independent Set Algorithms Within Procedural Planar Maps: A Large-Scale Evaluation, Chaucer Ihrig

Honors College Theses

Analysis of a childhood game has led us to the problem of maximum independent sets in planar graphs. We wrote a graph creation utility using R to generate a random planar map and its dual graph. This utility then finds a graph’s maximal independent set using a variety of six algorithms. We investigate statistical connections between graph structure, colorability, and the maximal independent sets found using these algorithms over an incredibly large and procedurally generated dataset. We find one can always win the coloring game if the resultant graph is two-colorable. The algorithms perform statistically and practically significantly better on …

Leveraging Benford’S Law And Machine Learning For Financial Fraud Detection, Benjamin R. Fu

Cybersecurity Undergraduate Research Showcase

Financial fraud, particularly credit card fraud, continues to pose substantial challenges to financial institutions due to its increasing frequency and impact on consumer trust. While traditional rule-based methods have provided foundational defenses, their limitations in scalability and adaptability have accelerated the adoption of machine learning (ML) techniques. Concurrently, Benford’s Law—a statistical principle often used in forensic accounting—has demonstrated efficacy in detecting anomalies within naturally occurring numerical datasets. This study explores a hybrid fraud detection approach that integrates Benford’s Law with supervised machine learning algorithms, including Logistic Regression, Random Forest, and k-Nearest Neighbors. Using the publicly available European credit card fraud …

Robust Spacecraft Autonomy For Deep Space Exploration In Special Euclidean Group Se(3), Matthew Wittal

Doctoral Dissertations and Master's Theses

Over the past half-century, humanity has gained extensive experience conducting manned spaceflight near Earth. Arguably, "near Earth" could even include the Moon — the most distant destination humans have reached. However, "near" in this work primarily refers low Earth orbit (LEO). One could argue that we have not truly left Earth since the Apollo, as spacecraft in some LEOs remain subject to atmospheric drag thus emphasizing their continued connection to Earth's immediate environment. Reflecting on this, it becomes clear that humanity has largely remained bound to Earth’s immediate vicinity since the Apollo missions reached the Moon. However, that is set …

Optimizing Decision-Making In A Cerebral Palsy Model Using Reinforcement Learning, Richard Ampah

Pitzer Senior Theses

This study presents an original interdisciplinary investigation into how reinforcement learning (RL) can model motor and cognitive defects and potentially improve motor and cognitive functions in individuals with cerebral palsy (CP), a non-progressive neurological disorder that impairs movement and adaptability. Integrating computational neuroscience and machine learning, the research applies policy gradient methods and Markov Decision Processes (MDPs) to simulate adaptive learning in agents with and without CP-related constraints.

The central aim is to compare the cumulative rewards of optimal policies, derived from value iteration, and human-like learning policies using the REINFORCE algorithm, both with and without the Bellman baseline. The …

Analyzing Political Sentiment On Micro-Blogging Data: A Lexicon And Machine Learning Approach To The 2024 U.S. Presidential Election, Ava Grey

CMC Senior Theses

This paper explores the trends in sentiment towards U.S. presidential candidates Kamala Harris and Donald Trump through micro-blogging social media text during the five months leading up to the election. Two datasets of varying sizes and origins were used to contextualize and validate analysis findings. The analyses include both a lexicon-based approach and a machine learning predictive method. Common sentiment analysis techniques like term frequency, term frequency inverse, various lexicons, and n-grams were utilized during the lexicon approach. During the modeling, a random forest was utilized in addition to the methods used during the lexicon approach. Results showed that overall …

Further Results On Learning Quantum Measurement Classes: Quantum Pac Model For Povm Hypothesis Classes, Arka Prabha Das

Electronic Theses & Dissertations (2024 - present)

This thesis investigates the problem of learning from quantum systems, where each example consists of a quantum state paired with a classical outcome. The task centers on choosing an effective measurement rule from a fixed set to enable accurate prediction of the classical outcome from the quantum state. A central focus lies in understanding whether joint measurement strategies that cannot be separated into local operations offer a real benefit in terms of the number of examples needed for successful learning. We examine conditions under which a non-separable measurement within a given hypothesis class achieves strictly better sample complexity bounds compared …

Decoding Neural Networks: An Information-Theoretic Guide To Interpretability, Error Analysis And Efficiency, Mackenzie J. Meni

Theses and Dissertations

This dissertation addresses critical challenges in neural network design by leveraging entropy-based techniques to improve model efficiency, interpretability, and bias reduction. Focusing on the unique demands of computer vision applications, particularly object detection and classification for real-time systems, this work introduces a series of innovative methods centered on information theory. At the core of these methods is the Probabilistic Explanations of Entropic Knowledge (PEEK) framework, a tool developed to analyze and visualize entropy distributions across feature maps. PEEK offers insights into information flow within neural networks, making it possible to pinpoint layers that contribute meaningfully to decision-making or identify those …

Capturing Higher-Order Relationships Through Information Decomposition, Aobo Lyu

McKelvey School of Engineering Graduate Student Theses & Dissertations

Mutual information between two random variables is a well-studied notion, whose understanding is fairly complete. Mutual information between one random variable and a pair of other random variables, however, is a far more involved notion. Specifically, Shannon's mutual information does not capture fine-grained interactions between those three variables, resulting in limited insights in complex systems. To capture these fine-grained higher-order interactions among variables, Williams and Beer proposed a framework called Partial Information Decomposition (PID) to decompose this mutual information to information atoms, called unique, redundant, and synergistic, and proposed several operational axioms that these atoms must satisfy. This conceptual …

Mathematically Rigorous Deep Learning Paradigms For Data-Driven Scientific Modeling, Owen Nicholas Davis

Mathematics & Statistics ETDs

This dissertation explores the crucial role of data-driven modeling in science and engineering, with a focus on developing surrogate models to accelerate large-scale computational tasks, aiding in both outer-loop functions like uncertainty quantification and expensive inner-loop tasks within broader computational frameworks. Challenges arise with increased problem dimension and sparse, noisy training data, particularly significant when constructing surrogates for very expensive computational models where acquiring sufficient high-fidelity training data is unfeasible. In such scenarios, training surrogates from an ensemble of multifidelity information sources of varying accuracy and cost becomes essential. We emphasize neural network-based modeling paradigms, which are flexible in integrating …

The Impact Of Data Preparation And Model Complexity On The Natural Language Classification Of Chinese News Headlines, Torrey J. Wagner, Dennis Guhl, Brent T. Langhals

Faculty Publications

Given the emergence of China as a political and economic power in the 21st century, there is increased interest in analyzing Chinese news articles to better understand developing trends in China. Because of the volume of the material, automating the categorization of Chinese-language news articles by headline text or titles can be an effective way to sort the articles into categories for efficient review. A 383,000-headline dataset labeled with 15 categories from the Toutiao website was evaluated via natural language processing to predict topic categories. The influence of six data preparation variations on the predictive accuracy of four algorithms was …

Advancing Deep Learning With Graph-Based Structural Insights: From Graph Classification To Semantic Segmentation, Xin Ma

Computer Science and Engineering Dissertations - Archive

Deep learning has profoundly transformed machine learning by offering sophisticated data representations, yet effectively incorporating structural information remains a challenge. Structural data, whether explicit or implicit, has the potential to significantly enhance the performance of deep learning tasks. This research investigates the benefits of structural information across three crucial tasks: classification, clustering, and segmentation. For explicit structural data, where inputs are directly represented as graphs, we investigate graph-level classification in brain connectivity networks. We introduce the Multi-resolution Edge Network (MENET), a novel framework designed to identify disease-specific connectomic benchmarks with high discriminatory power across diagnostic categories. MENET leverages graph-level representations …

Applications Of Independent And Identically Distributed (Iid) Random Processes In Polarimetry And Climatology, Dan Kestner

Dissertations, Master's Theses and Master's Reports

The unifying theme of this thesis is the characterization of “perfect randomness,” i.e., independent and identically distributed (IID) stochastic processes as these are applied in physical science. Two specific and mathematically distinct applications are chosen: (i) Radar and optical polarimetry; (ii) Analysis of time series in meteorology. In (i), IID process of a special kind, namely, with a distribution defined by symmetry, is used to link its multivariate Gaussian density to uniformity on the Poincaré sphere. This “statistical ellipsometry” approach is then used to relate polarimetric mismatches or imbalances to ellipsometric variables and suitably chosen cross-correlation measures. In (ii), recently …

Disentangling Cyclic Causality: An Instance-Based Framework For Causal Discovery, Chase A. Yakaboski

Dartmouth College Ph.D Dissertations

Correlation does not imply causation" is one of the fundamental principles taught in science, emphasizing that associations between variables do not necessarily indicate causality. Yet, over the past three decades, extensive research has begun to challenge this perspective by developing sophisticated methods to differentiate causal from correlative relationships. This research suggests that correlations often involve a blend of confounded and causal interactions, which, given certain assumptions, can be disentangled to uncover actionable insights and deepen our understanding of physical, biological, and societal systems.

Accurately discovering causal relationships from data amidst cyclic dynamics remains a challenging open problem in causality research. …

Reducing Food Scarcity: The Benefits Of Urban Farming, S.A. Claudell, Emilio Mejia

Journal of Nonprofit Innovation

Urban farming can enhance the lives of communities and help reduce food scarcity. This paper presents a conceptual prototype of an efficient urban farming community that can be scaled for a single apartment building or an entire community across all global geoeconomics regions, including densely populated cities and rural, developing towns and communities. When deployed in coordination with smart crop choices, local farm support, and efficient transportation then the result isn’t just sustainability, but also increasing fresh produce accessibility, optimizing nutritional value, eliminating the use of ‘forever chemicals’, reducing transportation costs, and fostering global environmental benefits.

Imagine Doris, who is …

Random Variable Spaces: Mathematical Properties And An Extension To Programming Computable Functions, Mohammed Kurd-Misto

Computational and Data Sciences (PhD) Dissertations

This dissertation aims to extend the boundaries of Programming Computable Functions (PCF) by introducing a novel collection of categories referred to as Random Variable Spaces. Originating as a generalization of Quasi-Borel Spaces, Random Variable Spaces are rigorously defined as categories where objects are sets paired with a collection of random variables from an underlying measurable space. These spaces offer a theoretical foundation for extending PCF to natively handle stochastic elements.

The dissertation is structured into seven chapters that provide a multi-disciplinary background, from PCF and Measure Theory to Category Theory with special attention to Monads and the Giry Monad. The …

Foundations Of Memory Capacity In Models Of Neural Cognition, Chandradeep Chowdhury

Master's Theses

A central problem in neuroscience is to understand how memories are formed as a result of the activities of neurons. Valiant’s neuroidal model attempted to address this question by modeling the brain as a random graph and memories as subgraphs within that graph. However the question of memory capacity within that model has not been explored: how many memories can the brain hold? Valiant introduced the concept of interference between memories as the defining factor for capacity; excessive interference signals the model has reached capacity. Since then, exploration of capacity has been limited, but recent investigations have delved into the …

Multi-Representation Variational Autoencoder Via Iterative Latent Attention And Implicit Differentiation, Nhu Thuat Tran, Hady Wirawan Lauw

Research Collection School Of Computing and Information Systems

Variational Autoencoder (VAE) offers a non-linear probabilistic modeling of user's preferences. While it has achieved remarkable performance at collaborative filtering, it typically samples a single vector for representing user's preferences, which may be insufficient to capture the user's diverse interests. Existing solutions extend VAE to model multiple interests of users by resorting a variant of self-attentive method, i.e., employing prototypes to group items into clusters, each capturing one topic of user's interests. Despite showing improvements, the current design could be more effective since prototypes are randomly initialized and shared across users, resulting in uninformative and non-personalized clusters.To fill the gap, …