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Articles 31 - 60 of 557
Full-Text Articles in Physical Sciences and Mathematics
Physical, Optical, And Chemical Properties Of Light Absorbing Aerosols And Their Climatic Impacts, Susan Mathai
Physical, Optical, And Chemical Properties Of Light Absorbing Aerosols And Their Climatic Impacts, Susan Mathai
Dissertations, Master's Theses and Master's Reports
Aerosols are particles suspended in the atmosphere; they are emitted during natural phenomena such as dust storms, wildfires, and volcanic eruptions, and during anthropogenic activities like household wood burning, vehicles operations, and industrial productions, or they can form in the atmosphere from gas to particle partition. Aerosols impact earth’s weather and climate by absorbing and scattering the incoming solar and the outgoing earth thermal radiation and interacting with clouds. The optical properties of aerosols evolve as the chemical and physical properties vary during their residence in the atmosphere. In addition, the aerosols’ properties strongly depend on the vertical distribution in …
Integrating Lidar, Aeromagnetic, And Geological Field Data To Identify Structural-Lithologic Elements Within The Archean Carney Lake Gneiss Complex, Ian M. Gannon
Dissertations, Master's Theses and Master's Reports
The Archean Carney Lake Gneiss Complex (CLGC) is a suite of rocks on the southern margin of the Superior Province and within the Minnesota River Valley subprovince. It is one of many gneissic domes in Michigan, Wisconsin, and Minnesota whose complex geology is poorly understood due to a previous lack of economic interest in gneissic terranes and significant challenges to their investigation. As a consequence, the CLGC and other gneissic domes in the region are represented on geologic maps as undifferentiated masses surrounded by better defined and understood Paleoproterozoic supracrustal rocks and igneous intrusions. Within the last ten years, however, …
Design And Implementation Of A Graphql Mesh Gateway: Federating Api Endpoints Based On A Defined Data Model, Marcus D. Scese
Design And Implementation Of A Graphql Mesh Gateway: Federating Api Endpoints Based On A Defined Data Model, Marcus D. Scese
Dissertations, Master's Theses and Master's Reports
This paper introduces the GraphQL Mesh federated API (Application Programming Interface) gateway project, a comprehensive initiative implemented using GraphQL Mesh to solve data related issues within the USW-DSS (Undersea Warfare - Decision Support System). The project contributes to the evolving discourse on the pivotal role of Data Fabrics and Data Meshes in dismantling the barriers imposed by digital data silos. The project is a collaboration between researchers at Michigan Technological University, and engineers at ARiA (Applied Research in Acoustics LLC). The aim of the project is to resolve difficulties in understanding a large collection of API endpoints. By navigating the …
Multiscale Molecular Modeling Studies Of The Dynamics And Catalytic Mechanisms Of Iron(Ii)- And Zinc(Ii)-Dependent Metalloenzymes, Sodiq O. Waheed
Multiscale Molecular Modeling Studies Of The Dynamics And Catalytic Mechanisms Of Iron(Ii)- And Zinc(Ii)-Dependent Metalloenzymes, Sodiq O. Waheed
Dissertations, Master's Theses and Master's Reports
Enzymes are biological systems that aid in specific biochemical reactions. They lower the reaction barrier, thus speeding up the reaction rate. A detailed knowledge of enzymes will not be achievable without computational modeling as it offers insight into atomistic details and catalytic species, which are crucial to designing enzyme-specific inhibitors and impossible to gain experimentally. This dissertation employs advanced multiscale computational approaches to study the dynamics and reaction mechanisms of non-heme Fe(II) and 2-oxoglutarate (2OG) dependent oxygenases, including AlkB, AlkBH2, TET2, and KDM4E, involved in DNA and histone demethylation. It also focuses on Zn(II) dependent matrix metalloproteinase-1 (MMP-1), which helps …
Finer Details Of Language Modeling: Text Segmentation, Working Within Resource Limits, And Watermarking, Evan Gordon Lucas
Finer Details Of Language Modeling: Text Segmentation, Working Within Resource Limits, And Watermarking, Evan Gordon Lucas
Dissertations, Master's Theses and Master's Reports
Language modeling is a vast sub-field of natural language processing and this work focuses on solving some specific problems within that field. Technically, the work falls into a number of sub-categories within natural language processing; how to segment texts, improving sparse transformer performance for summarization tasks, character level models for dialect determination, watermarking of large language models, and a general method of incorporating minimal human feedback for continual or online learning. Despite touching on many small areas, they all connect as being related to the very general problem of handling sequential data. Language and text can be thought of as …
Comprehensive Analysis Of Seismic Signals From Pacaya Volcano Using Deep Learning Event Detection, Jessica L. Devlieg
Comprehensive Analysis Of Seismic Signals From Pacaya Volcano Using Deep Learning Event Detection, Jessica L. Devlieg
Dissertations, Master's Theses and Master's Reports
Pacaya volcano located 30 km SW of Guatemala City, Guatemala, has been erupting intermittently since 1961. Monitoring of seismicity is crucial to understanding current activity levels within Pacaya. Traditional methods of picking these small earthquakes in this noisy environment are imprecise. Pacaya produces many small events that can easily blend in with the background noise. A possible solution for this problem is a machine learning program to pick first arrivals for these earthquakes. We tested a deep learning algorithm (Mousavi et al., 2020) for fast and reliable seismic signal detection within a volcanic system. Data from multiple deployments were used, …
Investigating Collaborative Explainable Ai (Cxai)/Social Forum As An Explainable Ai (Xai) Method In Autonomous Driving (Ad), Tauseef Ibne Mamun
Investigating Collaborative Explainable Ai (Cxai)/Social Forum As An Explainable Ai (Xai) Method In Autonomous Driving (Ad), Tauseef Ibne Mamun
Dissertations, Master's Theses and Master's Reports
Explainable AI (XAI) systems primarily focus on algorithms, integrating additional information into AI decisions and classifications to enhance user or developer comprehension of the system's behavior. These systems often incorporate untested concepts of explainability, lacking grounding in the cognitive and educational psychology literature (S. T. Mueller et al., 2021). Consequently, their effectiveness may be limited, as they may address problems that real users don't encounter or provide information that users do not seek.
In contrast, an alternative approach called Collaborative XAI (CXAI), as proposed by S. Mueller et al (2021), emphasizes generating explanations without relying solely on algorithms. CXAI centers …
Uhplc/Ft-Ms Non-Targeted Screening Approach For Biomass Burning Organic Aerosol And Liquid Smoke As Biomass Burning Organic Aerosol Surrogate, D.M.R. Thusitha Dinusha Kumarihami Divisekara
Uhplc/Ft-Ms Non-Targeted Screening Approach For Biomass Burning Organic Aerosol And Liquid Smoke As Biomass Burning Organic Aerosol Surrogate, D.M.R. Thusitha Dinusha Kumarihami Divisekara
Dissertations, Master's Theses and Master's Reports
Biomass combustion contributes a large amount of aerosol particles to the atmosphere impacting the climate system and human health. Identifying the molecular composition of biomass burning organic aerosol (BBOA) is challenging because of its complex nature. Liquid chromatography mass spectrometric non-targeted screening (NTS) methods provide a comprehensive analysis. However, the instrumentation and data analysis are challenging due to the extreme complexity of environmental samples. In the first part of this study, we implemented a new LC/FT-MS data processing approach by combining existing open-source data processing tools, MZmine2.53 and MFAssignR. The method's validity was checked using the standard polyacrylic acid (PAA) …
Rain-Induced Hazards In Remote, Low-Resource Communities: A Case Study Of Flash Flooding In The Usulután Department, El Salvador, Natalea Cohen
Rain-Induced Hazards In Remote, Low-Resource Communities: A Case Study Of Flash Flooding In The Usulután Department, El Salvador, Natalea Cohen
Dissertations, Master's Theses and Master's Reports
Rain-induced natural hazards can lead to devastating and potentially life-threatening impacts. Understanding areas susceptible to flash flooding and characterizing the intensity of flash flood events is critical in improving the mitigation and emergency preparedness of vulnerable communities. Flash floods occur on small spatial scales and for short durations making it challenging to classify flash flood susceptibility and forecast events. Modeling flash flooding becomes even more difficult when focusing on data-poor regions. This study is based in California, El Salvador, an agricultural community located in the Central American Dry Corridor (CADC), a region experiencing the impacts of climate change and associated …
Explicit Rule Learning: A Cognitive Tutorial Method To Train Users Of Artificial Intelligence/Machine Learning Systems, Anne Linja
Dissertations, Master's Theses and Master's Reports
Today’s intelligent software systems, such as Artificial Intelligence/Machine Learning systems, are sophisticated, complicated, sometimes complex systems. In order to effectively interact with these systems, novice users need to have a certain level of understanding. An awareness of a system’s underlying principles, rationale, logic, and goals can enhance the synergistic human-machine interaction. It also benefits the user to know when they can trust the systems’ output, and to discern boundary conditions that might change the output. The purpose of this research is to empirically test the viability of a Cognitive Tutorial approach, called Explicit Rule Learning. Several approaches have been used …
Surface Reconstruction In Iron Garnets, Sushree Dash
Surface Reconstruction In Iron Garnets, Sushree Dash
Dissertations, Master's Theses and Master's Reports
This dissertation presents the results of a study investigating the physical mechanisms underlying an unexpectedly large increase in magneto-optic efficiency observed in iron garnet. Such materials are technologically important for telecommunications due to their nonreciprocal optical action. In the past, our group had found evidence of an enhanced Faraday rotation in bismuth-substituted iron garnet films less than 50 nm thick. Subsequent investigation revealed that this enhancement could be traced to surface effects. This is significant because understanding these phenomena could be used to formulate engineering solutions for device miniaturization. In this dissertation, we present the result of a research project …
Deep Learning For Medical Image Segmentation Using Prior Knowledge And Topology, Chen Zhao
Deep Learning For Medical Image Segmentation Using Prior Knowledge And Topology, Chen Zhao
Dissertations, Master's Theses and Master's Reports
Image segmentation refers to the division of a digital image into distinct segments or groups of pixels/voxels. However, most of the existing deep learning approaches lack the utilization of prior knowledge, such as shape information, which could improve segmentation accuracy. In addition, conventional image segmentation frequently falls short in preserving intricate spatial details, motivating the innovation of strategies for multi-scaled feature integration. Furthermore, traditional image segmentation methods primarily concentrate on pixel-level or region-level analysis. However, given the inherent morphological similarities among various image objects, the significance of topology information surpasses that of pixel-level data in the realm of medical image …
Predicting The Reactivities And Reaction Mechanisms Of Photochemically Produced Reactive Intermediates, Benjamin Barrios Cerda
Predicting The Reactivities And Reaction Mechanisms Of Photochemically Produced Reactive Intermediates, Benjamin Barrios Cerda
Dissertations, Master's Theses and Master's Reports
Photochemically produced reactive intermediates (PPRIs) such as the hydroxyl radical, carbonate radical (CO3•-) singlet oxygen (1O2) and triplet state of chromophoric dissolved organic matter (3CDOM*) are formed in sunlit natural waters upon photoexcitation of chromophoric dissolved organic matter (CDOM). PPRIs react with the organic compounds involved in key environmental processes, resulting in transformation products of smaller molecular weight than their parent compounds. Photochemical transformation of these key water constituents due to their reactions with PPRIs may pose potential effects on human and aquatic ecosystems. Consequently, there is a need …
Chemical Decomposition Of Flexible Polyurethane Foam To Generate A Media For Microbial Upcycling, Kaushik Baruah
Chemical Decomposition Of Flexible Polyurethane Foam To Generate A Media For Microbial Upcycling, Kaushik Baruah
Dissertations, Master's Theses and Master's Reports
Polyurethane waste is becoming a global concern as a large amount is being disposed of in landfills every year, and only a fraction is being recycled. Several polyurethane recycling techniques exist, of which ammonolysis and base-catalyzed hydrolysis is the least explored. Flexible polyurethane foam (FPUF) decomposition can generate amines that can act as a carbon source for the growth of microbial consortia. This study aims to generate a novel media capable of microbial upcycling via ammonolysis and base-catalyzed hydrolysis of flexible polyurethane foams (FPUFs) using ammonium hydroxide and subsequently determine the reaction conditions for maximum solubilization of polyurethane foam in …
Exploring Different Mediums For Teaching Programming And Cybersecurity In Primary And Secondary Schools, Andrew R. Youngstrom
Exploring Different Mediums For Teaching Programming And Cybersecurity In Primary And Secondary Schools, Andrew R. Youngstrom
Dissertations, Master's Theses and Master's Reports
Cybersecurity and programming are becoming more and more prominent in today’s world. It is beneficial to begin teaching these topics to students at a younger age. Additionally, we see students in primary and secondary schools struggling to maintain focus in class as attention spans shrink. This paper looks at different drone models to see if any of them could be sufficient solutions to be implemented into primary and secondary schools to teach cybersecurity and programming topics to students. Besides teaching capabilities, drones must also be affordable for institutions and simple enough to construct, configure, and operate so that a teacher …
Statistical Methods For Gene Selection And Genetic Association Studies, Xuewei Cao
Statistical Methods For Gene Selection And Genetic Association Studies, Xuewei Cao
Dissertations, Master's Theses and Master's Reports
This dissertation includes five Chapters. A brief description of each chapter is organized as follows.
In Chapter One, we propose a signed bipartite genotype and phenotype network (GPN) by linking phenotypes and genotypes based on the statistical associations. It provides a new insight to investigate the genetic architecture among multiple correlated phenotypes and explore where phenotypes might be related at a higher level of cellular and organismal organization. We show that multiple phenotypes association studies by considering the proposed network are improved by incorporating the genetic information into the phenotype clustering.
In Chapter Two, we first illustrate the proposed GPN …
Information Use And Decision-Making For Evacuation At Fuego Volcano, Guatemala, Beth A. Bartel
Information Use And Decision-Making For Evacuation At Fuego Volcano, Guatemala, Beth A. Bartel
Dissertations, Master's Theses and Master's Reports
For populations living with risk to rapid-onset environmental hazards, an effective early warning system (EWS) may be the most viable short- to mid-term solution for risk reduction. At Fuego volcano, Guatemala, more than 60,000 people distributed between more than 30 small communities live within the identified hazard zones for pyroclastic density currents (PDCS), highly lethal hot avalanches and surges of volcanic gases, rock, and ash. Despite ongoing risk reduction efforts by scientific and civil protection authorities, more than 400 people died during a paroxysmal eruption on 3 June 2018 when PDCs reached populated areas. A high-end resort, La Reunión, evacuated …
Neuromorphic Computing Applications In Robotics, Noah Zins
Neuromorphic Computing Applications In Robotics, Noah Zins
Dissertations, Master's Theses and Master's Reports
Deep learning achieves remarkable success through training using massively labeled datasets. However, the high demands on the datasets impede the feasibility of deep learning in edge computing scenarios and suffer from the data scarcity issue. Rather than relying on labeled data, animals learn by interacting with their surroundings and memorizing the relationships between events and objects. This learning paradigm is referred to as associative learning. The successful implementation of associative learning imitates self-learning schemes analogous to animals which resolve the challenges of deep learning. Current state-of-the-art implementations of associative memory are limited to simulations with small-scale and offline paradigms. Thus, …
Machine Learning Methods For Prediction Of Human Infectious Virus And Imputation Of Hla Alleles, Xiaoqing Gao
Machine Learning Methods For Prediction Of Human Infectious Virus And Imputation Of Hla Alleles, Xiaoqing Gao
Dissertations, Master's Theses and Master's Reports
This dissertation contains three Chapters. The following is a concise description of each Chapters.
In Chapter 1, we introduced the Random Forest, a machine learning method, to foresee whether a virus is capable of infecting humans. The Covid pandemic informs us the importance of predicting the ability of a zoonotic virus that can infect humans from its genomic sequence. We used the -mer with and as features of a virus to predict if it can affect humans. We further employed the Boruta algorithm to select the important features, then fed those important features into the Random Forest method to train …
Types Of Questions Teachers Ask To Engage Students In Making Sense Of A Student Contribution, Nishat B. Alam
Types Of Questions Teachers Ask To Engage Students In Making Sense Of A Student Contribution, Nishat B. Alam
Dissertations, Master's Theses and Master's Reports
In the student-centered classroom, a teacher’s interpretation and response to student mathematical contributions plays an important role to shape and direct students’ opportunities for sense-making. This research used a scenario-based survey questionnaire to examine what types of questions middle and high school mathematics teachers indicate they would ask to engage students in making sense of a high-leverage student mathematical contribution and their reasoning about why particular questions are or are not productive. From the results, it could be concluded that teachers asked more productive questions after seeing a set of possible questions. Their beliefs about the productivity of the questions …
On-Ice Detection, Classification, Localization And Tracking Of Anthropogenic Acoustic Sources With Machine Learning, Steven J. Whitaker
On-Ice Detection, Classification, Localization And Tracking Of Anthropogenic Acoustic Sources With Machine Learning, Steven J. Whitaker
Dissertations, Master's Theses and Master's Reports
Arctic acoustics have been of concern in recent years for the US navy. First-year ice is now the prevalent factor in ice coverage in the Arctic, which changes the previously understood acoustic properties. Due to the ice melting each year, anthropogenic sources in the Arctic region are more common: military exercises, shipping, and tourism. For the navy, it is of interest to detect, classify, localize, and track these sources to have situational awareness of these surroundings. Because the sources are on-water or on-ice, acoustic radiation propagates at a longer distance and so acoustics are the method by which the sources …
Water Woes Worsen: Middle Rio Grande Reservoir Modeling Projects Declining Water Availability Under Climate Change Simulations, Robyn Holmes
Water Woes Worsen: Middle Rio Grande Reservoir Modeling Projects Declining Water Availability Under Climate Change Simulations, Robyn Holmes
Dissertations, Master's Theses and Master's Reports
The Middle Rio Grande is a vital source of water for over 2M people. Climate change is impacting regional hydrology and is likely to put additional stress on a water supply that is already stretched thin. To gain insight on future water availability, a simple water balance model was used to simulate the Elephant Butte-Caballo reservoir system (Southern New Mexico, USA). The water balance model was run under 97 climate simulations derived from Global Climate Models (GCMs) developed under the Intergovernmental Panel on Climate Change's (IPCC) 5th generation Coupled Modeling Intercomparison Project (CMIP5). Results suggest that the percentage of …
Thermomechanical Evolution Of A Magmatic System During A Caldera Cycle: Okataina Volcanic Center, New Zealand, Jacob Bonessi
Thermomechanical Evolution Of A Magmatic System During A Caldera Cycle: Okataina Volcanic Center, New Zealand, Jacob Bonessi
Dissertations, Master's Theses and Master's Reports
Caldera forming eruptions represent some of the largest simultaneous releases of mass and energy on the planet and pose a looming risk on a global scale. The study of the underlying magmatic systems is integral in understanding what leads to these large eruptions. This approach pairs a suite of major and trace element profiles from plagioclase with a grain texture classification and statistical analysis using Polytopic Vector Analysis (PVA) as proxies to explore potential changes in the thermomechanical state of the magmatic system at Okataina Volcanic Complex (OVC), New Zealand through its most recent caldera cycle. Results indicate systematic changes …
A Combined Spectral And Energy Morphology Analysis Of Gamma Ray Source Hawc J2031+415 In The Cygnus Constellation, Ian Herzog
Dissertations, Master's Theses and Master's Reports
HAWC J2031+415 is a probable pulsar wind nebula (PWN) located in the Cygnus Cocoon region near a complex OB star cluster. First observed by the High-Energy-Gamma-Ray Astronomy (HEGRA) observatory in the TeV energy regime, the source had no apparent counterpart in lower energy ranges. Previous work using 1343 days of data from the High-Altitude Water Cherenkov (HAWC) Gamma-Ray Observatory has determined that three sources are present in the Region of Interest (ROI): HAWC J2031+415, HAWC J2030+409 (also known as the Cocoon), and 3HWC J2020+403 (associated with the Gamma Cygni supernova remnant) \cite{Ian_01, Binita_01}.
In this work, I use the newest …
Defining The Endmember System Of Us Soils And Quantifying Relationships, And A Hyperspectral Approach To The Alteration Strength Index, Rachel Rulison
Defining The Endmember System Of Us Soils And Quantifying Relationships, And A Hyperspectral Approach To The Alteration Strength Index, Rachel Rulison
Dissertations, Master's Theses and Master's Reports
Soils form a complex part of the environment, providing important functions in systems such as food production, groundwater movement, and ecosystem health. There have been numerous studies on soil geochemistry and the origin of elements within soils, but few studies into quantifying the relationships between elements and geographical data on a national scale. Using geochemical data obtained by the USGS, the surficial soils of the US were defined by a 13-endmember system using Polytopic Vector Analysis and mapped in GIS. Correlation matrices provided Pearson’s correlation coefficients for elements in the Top 5 cm soil profile, the A horizon, and the …
Optical And Single Particle Properties Of North Atlantic Free Tropospheric Aerosols And Implications For Aerosol Direct Radiative Forcing, Megan Morgenstern
Optical And Single Particle Properties Of North Atlantic Free Tropospheric Aerosols And Implications For Aerosol Direct Radiative Forcing, Megan Morgenstern
Dissertations, Master's Theses and Master's Reports
Human-induced climate change has steadily become a reality rather than a possibility. One factor that plays into climate change is radiative forcing due to aerosol-radiation interactions (ARI). As such, it is important to understand how aerosols (atmospheric particles) interact with solar radiation. This work looks at seven samples of well-aged aerosols (aerosols traveling in the atmosphere for at least a few days) collected at Pico Mountain Observatory in the summer of 2015. Pico Mountain Observatory is located in a remote, high elevation site in the Azores, in the Eastern-North Atlantic Ocean. The goals of the study were to analyze the …
Design And Analysis Of Marangoni-Driven Robotic Surfers, Mitchel L. Timm
Design And Analysis Of Marangoni-Driven Robotic Surfers, Mitchel L. Timm
Dissertations, Master's Theses and Master's Reports
We designed and experimentally studied the dynamics of two robotic systems that surf along the water-air interface. The robots were self-propelled by means of creating and maintaining a surface tension gradient resulting from an asymmetric release of isopropyl alcohol (IPA). The imbalance in the distribution of surface tension surrounding the robots generates a propulsive force commonly referred to as Marangoni propulsion. First, we considered a single surfer, which was custom-made with novel control mechanisms that allow for both forward motion and steering to be remotely adjusted solely through the manipulation of local surface stresses. We analyzed the performance of this …
Collective Hydrodynamics Of Robotic Fish, Rohit S. Pandhare
Collective Hydrodynamics Of Robotic Fish, Rohit S. Pandhare
Dissertations, Master's Theses and Master's Reports
Many animals in nature travel in groups either for protection, survival, or endurance. Among these, fish do so under the burden of hydrodynamic loads, which incites questions as to the significance of the multi-body fluid-mediated interactions that facilitate collective swimming. We study such interactions in the idealized setting of a rotational array of robotic fish whose tails undergo a prescribed flapping motion, but whose swimming speed is determined as a natural result of the hydrodynamic effects. Specifically, we examine how the measured collective speed of the swimmers varies with the imposed frequency and amplitude of their tail flapping, and with …
The Photo-Transformation Of Free Methionine In The Presence Of Surrogate And Standard Isolate Dissolved Organic Matter Under Sunlit Irradiation, Benjamin J. Mohrhardt
The Photo-Transformation Of Free Methionine In The Presence Of Surrogate And Standard Isolate Dissolved Organic Matter Under Sunlit Irradiation, Benjamin J. Mohrhardt
Dissertations, Master's Theses and Master's Reports
Sulfur (S)-containing amino acids are key sources of carbon, nitrogen, and sulfur involved in protein synthesis, protein function, and providing energy for microbial growth. Dissolved free and combined methionine is one of two S-containing amino acids incorporated into proteins and has been attributed to their stability and function. The oxidation of methionine has received considerable attention given its ubiquitous presence in most biological systems and has been associated with losses in protein function and pathological disorders. In natural waters, methionine is rapidly and selectively taken up by microorganisms to achieve cellular requirements of carbon, nitrogen, and sulfur. The abiotic transformation …
A Surrogate Model Of Molecular Dynamics Simulations For Polar Fluids: Supervised Learning Methods For Molecular Polarization And Unsupervised Methods For Phase Classification, Zackerie W. Hjorth
A Surrogate Model Of Molecular Dynamics Simulations For Polar Fluids: Supervised Learning Methods For Molecular Polarization And Unsupervised Methods For Phase Classification, Zackerie W. Hjorth
Dissertations, Master's Theses and Master's Reports
Molecular Dynamic (MD) simulation is a standard computational tool in soft matter physics. While very powerful, it is computationally expensive, leading to some simulations taking days or even weeks to complete depending on the size of your computer cluster. Finding computationally cheap surrogate models which can learn the output features of MD simulation is therefore highly motivated. In this report I explore the use of deep neural network ensembles as well as support vector machine regressors as surrogate models for MD simulation. From the output of the surrogate models, we can then employ unsupervised learning methods to get insight into …