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At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A high-throughput workflow to analyze sequence-conformation relationships and explore hydrophobic patterning in disordered peptoids

Understanding how a macromolecule’s primary sequence governs its conformational landscape is crucial for elucidating its function, yet these design principles are still emerging for macromolecules with intrinsic disorder. Herein, we introduce a high-throughput workflow that implements a practical colorimetric conformational assay, introduces a semi-automated sequencing protocol using matrix-assisted laser desorption/ionization and tandem mass spectrometry (MALDI-MS/MS), and develops a generalizable sequence-structure algorithm. Using a model system of 20mer peptidomimetics containing polar glycine and hydrophobic N-butylglycine residues, we identified nine classifications of conformational disorder and isolated 122 unique sequences across varied compositions and conformations. Conformational distributions of three compositionally identical library sequences were corroborated through atomistic simulations and ion mobility spectrometry coupled with liquid chromatography. A data-driven strategy was developed using existing sequence variables and data-derived “motifs” to inform a machine-learning algorithm toward conformation prediction. Here, this multifaceted approach enhances our understanding of sequence-conformation relationships and offers a powerful tool for accelerating the discovery of materials with conformational control.

data-driven analysis↗
DOE OSTI2020

Partners for life: building microbial consortia for the future

We report new technologies have allowed researchers to better design, build, and analyze complex consortia. These developments are fueling a wider implementation of consortium-based bioprocessing by leveraging synthetic biology, delivering on the field’s multitudinous promises of higher efficiencies, superior resiliency, augmented capabilities, and modular bioprocessing. Here we chronicle current progress by presenting a range of screening, computational, and biomolecular tools enabling robust population control, efficient division of labor, and programmatic spatial organization; furthermore, we detail corresponding advancements in areas including machine learning, biocontainment, and standardization. Additionally, we show applications in myriad sectors, including medicine, energy and waste sustainability, chemical production, agriculture, and biosensors. Concluding remarks outline areas of growth that will promote the utilization of complex community structures across the biotechnology spectrum.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Single photon emitters in van der Waals solids for quantum photonics: materials, theory and molecular-scale characterization probes

Strong light–matter interactions in two-dimensional layered materials (2D materials) have attracted the interest of researchers from interdisciplinary fields for more than a decade now. A unique phenomenon in some 2D materials is their large exciton binding energies (BEs), increasing the likelihood of exciton survival at room temperature. It is this large BE that mediates the intense light–matter interactions of many of the 2D materials, particularly in their monolayer limit, where the interplay of excitonic phenomena poses a wealth of opportunities for high-performance optoelectronics and quantum photonics. Within quantum photonics, quantum information science (QIS) is growing rapidly, where photons are a promising platform for information processing due to their low-noise properties, excellent modal control, and long-distance propagation. A central element for QIS applications is a single photon emitter (SPE) source, where an ideal on-demand SPE emits exactly one photon at a time into a given spatiotemporal mode. Recently, 2D materials have shown practical appeal for QIS which is directly driven from their unique layered crystalline structure. This structural attribute of 2D materials facilitates their integration with optical elements more easily than the SPEs in conventional three-dimensional solid state materials, such as diamond and SiC. In this review article, we will discuss recent advances made with 2D materials towards their use as quantum emitters, where the SPE emission properties maybe modulated deterministically. Here, the use of unique scanning tunneling microscopy tools for the in-situ generation and characterization of defects is presented, along with theoretical first-principles frameworks and machine learning approaches to model the structure-property relationship of exciton–defect interactions within the lattice towards SPEs. Given the rapid progress made in this area, the SPEs in 2D materials are emerging as promising sources of nonclassical light emitters, well-poised to advance quantum photonics in the future.

2D layered materials↗
DOE OSTI2026

FY25 Electric Grid Security Annual Report

Sandia’s Electric Grid Security program advances a national vision of energy dominance and accessibility, while applying our national security -emphasis on ensuring of a secure, resilient, and affordable electric system for all users. Our achievements reflect a strategic approach combining technology development; modeling, simulation, and data analytics; and partnered demonstrations and outreach to further the adoption of advanced grid and storage technologies. Our FY25 efforts leverage the strengths of our partnerships—spanning Sandia’s core science and technology competencies as well as external technology leaders—to develop the solutions today which enable the grid of tomorrow. Key accomplishments in this report that support our strategy span our technical program areas and include: • New open-source analytical tools for systems -level planning and optimization, including significant advances to the QuESt analytical environment; • Further advancement of artificial intelligence and machine learning to enhanced grid operations and planning as we rise to the challenge of new large loads; • Development of solid-state power conversion technologies and a new medium-voltage research lab; • New technologies to assess wildfire vulnerabilities and mitigate potential impacts; • Advanced applications of new cybersecurity technologies with industry partners; • Contributions to understanding the impacts of electromagnetic pulses and geomagnetic disturbances on grid components; and • Digital twin development for hybrid microgrids with multiple generators, storage, and loads. This report indicates key areas of research and engagement and summarizes the impact of Sandia’s contributions through notable accomplishments, journal publications, patents, and technical conferences and presentations. It is provided with the hope that readers discover ways we can further team to create our modern grid and apply the outcomes of our efforts. The bulk of work described herein is funded by several offices within the U.S. Department of Energy (USDOE), including the Office of Electricity (OE); Cybersecurity, Energy Security, and Emergency Response (CESER); former offices such as the Office of Energy Efficiency and Renewable Energy (EERE), the Grid Deployment Office (GDO), the Office of Clean Energy Demonstrations (OCED), and other key programs at USDOE. As we continue to state in these annual reports, the contributors to our successes are too numerous to name here, though our team wishes to express our deep gratitude to the numerous program and project sponsors at the US Department of Energy, who often function equally as technical collaborators; our many partners in industry, academia, utilities, and other national labs; and fellow researchers and business partners at Sandia whose leadership and creativity have enabled the accomplishments described herein.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Searching for Clues for a Matter Dominated Universe in Liquid Argon Time Projection Chambers

Liquid Argon Time Projection Chambers (LArTPCs) represent one of the most widely utilized neutrino detection techniques in neutrino experiments, for instance, in the Short Baseline Neutrino (SBN) program and the future large-scale LArTPC: Deep Underground Neutrino Experiment (DUNE). The high-end technique, facilitating excellent spatial and calorimetric reconstruction resolution, also enables testing exotic Beyond Standard Model (BSM) theories, such as baryon number violation (BNV) processes (e.g., proton-decay, neutron-antineutron oscillation). At the same time, Machine Learning (ML) techniques have demonstrated their ubiquitous use in recent decades; ML techniques have also become some of the most powerful tools in high-energy physics (HEP) analyses. Furthermore, the development of algorithms to cater to the needs of problems in HEP (i.e., triggering, reconstruction, improving sensitivity, etc.) has also become an active area of research. By developing a combined approach using Convolutional Neural Network (CNN) and Boosted Decision Tree (BDT) techniques, the sensitivity of neutron-antineutron oscillation in DUNE is evaluated for a projected exposure of 400kton·years. Additionally, to meet the triggering requirement to select such rare events in DUNE, such a search is only supported with highly efficient self-triggering algorithms. An ML-based self-triggering scheme for large-scale LArTPCs, such as DUNE, is also developed with the intention of implementation on field-programmable gate arrays (FPGAs). The ML-based approach for searching for neutron-antineutron oscillation can be demonstrated and validated on the current LArTPC MicroBooNE. The analysis in MicroBooNE represents the first-ever search for neutron-antineutron oscillation in a LArTPC. DUNE's projected 90% C.L. sensitivity to the neutron antineutron oscillation lifetime is 6.45×10³² years, assuming 1.327×10³⁵ neutron·years, equivalent to 10 years of DUNE far detector exposure (400kton·years). For MicroBooNE, assuming 372 seconds of exposure (equivalent to 3.13×10³⁶ neutron·years), the 90% C.L. lifetime sensitivity is found at 3.07×10²⁵ yrs, after accounting for Monte-Carlo statistical uncertainty and systematic uncertainty from detector effects.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRSDate not supplied

ES2Vec: Earth Science Metadata Suggestions and Analogical Reasoning

As the volume of text-based Earth science research grows, it is increasingly possible to discover latent relationships in the literature. However, traditional methodologies are restricted by limited computational capabilities and intractable problem spaces. Advancements in natural language processing (NLP) have allowed us to use an extensive Earth science corpus to create a domain-specific word vector model, Es2Vec, which we have used to surface latent relationships between Earth science concepts and generate improved keyword tags. Earth science metadata keyword assignment is a challenging problem. Dataset curators select appropriate keywords from the Global Change Master Directory (GCMD) set of keywords. The keywords an are integral part of the search and discovery of these datasets. Hence, the selection of keywords is crucial to increasing the discoverability of datasets. Utilizing machine learning techniques, we provide users with automated keyword suggestions to complement manual selection. We trained a machine learning model that leverages the semantic embedding ability of Word2Vec models to process abstracts and suggest relevant keywords. A user interface tool we built to assist data curators in the assignment of such keywords is also described.

word vectors↗
NASA NTRSDate not supplied

Managing the Digital Thread for Structural Applications With Fit for Purpose Materials

With the increased emphasis on reducing the cost and time to market of new materials, the need for analytical tools that enable the virtual design and optimization of materials throughout their processing - internal structure - property - performance envelope, along with the capturing and storing of the associated material and model information across its lifecycle, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Consequently, at NASA Glenn Research Center a robust information management system that manages the digital thread across the full material life (i.e., capture, analysis, maintenance, and dissemination of data) cycle directed at the design of ‘fit-for-purpose materials’ is under development. To this end the Application Table has been incorporated within NASA Glenn Research Center’s ICME Information Management framework within the ANSYS Granta MI tool. The Application Table provides a place where material and structural application information/requirements can be linked to marry the “design-the-material” (structural engineering) and the “design-with-material” (material science) paradigms and thereby enable application-driven design and optimization of materials and structures. In additional several associated toolsets, specifically: AIMAOS (Automated Information Management Across Organizations and Scales), Py MILab, and JARIMIS (Just A Rather Intelligent Material Interrogation System) are also under development to assist in the judicious automation of this process. AIMOAS offers users an interactive graphical user interface for connecting material information management systems with both commercial and in-house simulation tools at various length scales to enable such automation in the handoff across scales and maintenance of material digital twins and the digital thread. Py MILab, is an automatic framework for the capture, analysis, maintenance, and storage of material test data. Py MILab uses a modular approach for capturing raw data, analyzing the data, and storing the data in a database, interfaced by neutral file structures, to promote plug-and-play capabilities for various analysis types. Finally, JARIMIS is an expert system that integrates various materials informatics tools (e.g., MicroNet, Surrogate ML models, ANSYS Granta MI, etc.) to enable inverse design of materials and facilitate the application of machine learning (ML) and data science with human in the loop decision making to rapidly discover and optimize new materials.

Digital Transformation↗
DOE OSTI2023

The ARENA Test Bed – A Versatile Resource for I&C Development and Validation

The Accelerated and Real-time Experimental Nodal Assessment (ARENA) Test Bed at the Pacific Northwest National Laboratory (PNNL) is a versatile resource for development and validation of instrumentation and control (I&C) technologies. This capability was created to facilitate in-situ testing of nuclear electrical cables in various simulated operational environments. Using cable trays, a control box, and selected test components, low voltage cables can be staged to experience local adverse environments such as elevated temperature and water immersion. Cable condition can be continuously monitored over time to track the effect of local stresses using nondestructive assessment tools. A heads-up display (ARENA TV) plots key data in real-time for users. The ARENA Test Bed has recently been used to evaluate the potential for spread spectrum time domain reflectometry (SSTDR) to monitor thermal aging of a portion of live cable powering a three-phase motor. The arrangement provided the opportunity to directly compare the performance of the novel online SSTDR method with offline results from the more standard frequency domain reflectometry (FDR) method. The ability of SSTDR and FDR to identify the presence of water in immersed shielded and unshielded cables and to detect ground faults was also assessed. A digital twin is being developed to track and predict FDR signals from a thermally aging conceptual cable region to compare with measured signals from the ARENA physical counterpart. The test bed concept addresses an important need in nuclear I&C monitoring tool development. New tools and techniques can be developed in the test bed and validated versus known methods and physical measurements. Digital twins and machine learning engines can be populated with measured data in a controlled environment that would not be readily available in the actual nuclear power plant. Proposed monitoring strategies can be confirmed for effectiveness through objective evaluation. It is anticipated that the PNNL ARENA Test Bed will be a valuable resource in advancing nuclear plant instrumentation.

nuclear electrical cables, ARENA Test Bed, conditi↗
NASA NTRSDate not supplied

Using Machine Learning to Classify Earth Science Articles

Developing a machine learning pipeline to automatic the classification of research article topics, where topics are geophysical descriptors. The resulting classified documents will be added to the Usage-Based Discovery graph database, along with corresponding NASA Earth Science datasets, with the intent of linking the NASA data product with uses of it that can be searched by topic. The project will aid in the following goals (1) creating a wider representation of how and how much NASA Earth Science data products are used, (2) identifying when NASA data products have been used even when they are not clearly cited, and (3) providing the UBD search tool end-user with set of recommended datasets based on a given topic query.

Machine Learning↗
NASA NTRSDate not supplied

Parametric Mechanism Design Through Numerical Optimization and Physics Simulation

Design-Build-Test approaches for developing spaceflight hardware are prohibitively time and cost intensive and often lead to suboptimal mechanism designs. Approaches that couple machine learning and high-fidelity physics simulation could eliminate the need for hardware prototyping and dramatically accelerate the engineering design cycle, ultimately reducing cost. This work presents a modular NASA-developed toolchain to optimize hardware mechanisms in a virtual environment using numerical optimization and multi-body physics simulation. The toolchain enables multi-objective optimization, generates parametric CAD files that can be further post-processed by an end user, and can be expanded to optimize full systems and non-mechanical parameters such as feedback control variables. We demonstrate the toolchain through an independently verifiable design problem that optimizes wheel radius to achieve a desired linear velocity in a rigid-body physics environment when the wheel rotates at a constant angular speed, and then post-process the parametric CAD file of the optimal design generated by the tool before ultimately manufacturing it via 3D printing. We end with a discussion of how the toolchain can incorporate other analysis tools, including finite element analysis, computational fluid dynamics, and granular media simulations.

Optimization↗
NASA NTRSDate not supplied

An Optimization-Based Toolchain for Parametric Mechanism Design

Design-Build-Test approaches for developing spaceflight hardware are prohibitively time and cost intensive and often lead to suboptimal mechanism designs. Approaches that couple machine learning and high-fidelity physics simulation could eliminate the need for hardware prototyping and dramatically accelerate the engineering design cycle, ultimately reducing cost. This work presents a modular NASA-developed toolchain to optimize hardware mechanisms in a virtual environment using numerical optimization and multi-body physics simulation. The toolchain enables multi-objective optimization, generates parametric CAD files that can be further post-processed by an end user, and can be expanded to optimize full systems and non-mechanical parameters such as feedback control variables. We demonstrate the toolchain through an independently verifiable design problem that optimizes wheel radius to achieve a desired linear velocity in a rigid-body physics environment when the wheel rotates at a constant angular speed, and then post-process the parametric CAD file of the optimal design generated by the tool before ultimately manufacturing it via 3D printing. We end with a discussion of how the toolchain can incorporate other analysis tools, including finite element analysis, computational fluid dynamics, and granular media simulations.

Optimization↗
DOE OSTI2023

Layer-wise Imaging Dataset from Powder Bed Additive Manufacturing Processes for Machine Learning Applications (Peregrine v2021-03)

This dataset contains layer-wise powder bed images from three different powder bed printing technologies – laser powder bed fusion, electron beam powder bed fusion, and binder jetting. This dataset was collected and annotated using the internally-developed Peregrine software tool and is designed primarily to facilitate research into anomaly defect detection using image segmentation or similar techniques. A total of 20 layers are provided for each printing technology, with each layer of data consisting of one or more calibrated images and an annotation file containing pixel-wise ground truth labels. The ground truths were labeled by domain experts, typically printer technicians. Data in this release were collected at Oak Ridge National Laboratory between 2016 and 2020 and were compiled in March 2021.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Integrating Analytical Solutions and U-Net Model for Predicting Groundwater Contaminant Plumes in Pump-and-Treat Systems

Pump-and-treat (P&T) is a common technique for groundwater remediation involving the extraction and treatment of contaminated water above ground. Optimizing the design and operation of the P&T well network is essential for maximizing the system’s effectiveness and efficiency. However, this optimization often necessitates many model evaluations, leading to computationally demanding tasks. This study introduces a novel approach that integrates analytical solutions for groundwater dynamics with the U-Net (Ronneberger et al., 2015) deep learning framework to predict groundwater contaminant plume migration under dynamic pumping conditions. By incorporating the Thiem equation (Thiem, 1906) into the input preprocessing, the U-Net model transforms sparse well data into a continuous spatial field that captures the hydraulic impacts of pumping activities. This integration enables the model to leverage both deep learning capabilities and classical physics-based groundwater theories, enhancing prediction accuracy and computational efficiency. These advancements can facilitate rapid, large-scale evaluations of P&T optimization simulations, allowing for timely and effective decision-making in well placement and system management. We demonstrate the model's robust performance across both simplified transient 2D models and a more complex 3D heterogeneous site model at the 200 West P&T facility at the Hanford Site. The U-Net-based model offers substantial computational advantages, reducing simulation times significantly compared to full physics-based models and providing a powerful tool for rapid site evaluation and P&T system optimization, such as evaluating alternative P&T well network designs. Our findings highlight the potential of advanced machine learning models to significantly enhance the efficiency and sustainability of groundwater remediation efforts, offering a novel application of U-Net architecture in environmental science.

Pump-and-treat↗
DOE OSTI2021

Machine Learning for Adaptive Model Refinement to Bridge Scales

This whitepaper is responsive to focal area (2) Predictive modeling through the use of AI techniques and AI-derived model components: the use of AI and other tools to design a prediction system comprising of a hierarchy of models (e.g., AI driven model/component/parameterization selection). Here we describe scale-aware ML models for adaptive model refinement that allow us to bridge the spatial and/or temporal scales in simulation models and observation data for capturing and predicting extreme water cycles.

58 GEOSCIENCES↗
NASA NTRSDate not supplied

Developing Concepts of Operations Using Multi-Step Tool Techniques With Large Language Models

The National Aeronautics and Space Administration (NASA) Air Mobility Pathfinders (AMP) project is developing and evaluating concepts of operations (ConOps) for safe, secure, and scalable Urban Air Mobility (UAM) operations. The AMP project’s Operational Concepts, Architecture, and Requirements Integration (OCARI) Team is using a Model Based System Engineering (MBSE) approach for integration, interoperability, and traceability of Advanced Air Mobility (AAM) ecosystems centered around urban air taxi services. The team’s goal is to define structures and behaviors needed for system feasibility, readiness, and interoperability, establish a UAM knowledge base, and trace and validate assumptions and requirements relevant to AAM. NASA Langley Research Center (LaRC) is spearheading an innovative digital engineering approach to integrate, communicate, and facilitate the research of multi-modal transportation systems. The Knowledge-based Digital Platform (KbDP) is a concept being developed that ties the workflows of Project Managers (PM), Principal Investigators (PI), and System Engineers together across organizational boundaries. It does so through the management of an information database defined by mathematical, data science, and system engineering principles. Machine Learning (ML) algorithms play a key role in this concept by extracting meaningful knowledge from relational and graph databases, document repositories, and system artifacts, which the human user leverages to greatly improve the efficiency and effectiveness of their research. Recent advancements in the field of Large Language Models (LLMs), specifically models trained for tool use, such as Command-R , now allow for the reliable implementation of single-step and multi-step tool-centric systems. These techniques provide the LLM with a set of tools, in our case Python functions, that can be called on to answer a much wider range of questions compared to LLMs implemented using a traditional single-source or Retrieval Augmented Generation (RAG) approach. Through this method, the LLM can pull information from multiple data sources, such as relational or graph databases, document repositories, application programming interfaces (APIs), and SysML artifacts depending on the user’s question. The LLM can also output the information in a variety of different formats, using output generation tools, such as CSV, UML, or SysML artifacts. Additionally, tools can be assigned roles and can work together to provide answers to queries in an “agent” like approach, similar to that implemented by Microsoft’s AutoGen framework where different agents can converse with each other to accomplish tasks. Previously, our team developed a chatbot system with “agent like” functionality in the form of different “modes” the user could select from a user interface (UI), this architecture can be seen on the left in figure 1. Three different modes were implemented, the first mode allowed the LLM to utilize the structures and algorithms within a graph database to trace UAM requirements. The second mode gave the LLM access to a vector search capable of providing relevant information from thousands of document pages related to UAM ConOps and requirements. The third mode served as a general assistant where users could enter open-ended questions and custom prompts to utilize the LLM for different use-cases. This system improved the process surrounding generating and analyzing information related to UAM requirements, however, the implementation provided a clunky user experience. Users were required to know what mode to select within the UI in advance before entering their question to the selected tool. Moreover, the different tools were isolated from each other, they lacked bidirectional links that would allow for tools to collaborate to generate better responses. Our team is working on a new architecture, seen on the right in the below figure, with the goal to address many of the UX shortcomings of our original system while improving the accuracy and depth of responses from the LLM. This new system will automatically select the appropriate tool to use based off the user’s question. Each tool will be capable of calling on any of the other tools available to the LLM, resulting in a collaborative pipeline where tools can pass data between other tools until enough data is received to generate an answer to the user’s question. Using a locally deployed, open-source, LLM, the NASA OCARI team, in collaboration with Collins Aerospace, will implement a prototype application that will bridge knowledge across multiple sources to assist System Engineers (SEs) with requirements discovery and tracing, research question and use case identification, and assumption validation. Such a system will also allow SEs to more easily, and intuitively, explore the AAM ecosystem, ultimately improving the efficiency and effectiveness of the SE's research and decision-making processes surrounding ConOps development and validation. In this session, our team will provide a video demonstration of our new prototype architecture in action. We will also present an overview of our prototype system architecture and talk about its advantages over traditional LLM deployments along with how those advantages can provide additional value to the field of System Engineering.

systems engineering↗
DOE OSTI2020

Geomancy: Automated Performance Enhancement through Data Layout Optimization

Large distributed storage systems such as high- performance computing (HPC) systems used by national or international laboratories require sufficient performance and scale for demanding scientific workloads and must handle shifting workloads with ease. Ideally, data is placed in locations to optimize performance, but the size and complexity of large storage systems inhibit rapid effective restructuring of data layouts to maintain performance as workloads shift. To address these issues, we have developed Geomancy, a tool that models the placement of data within a distributed storage system and reacts to drops in performance. Using a combination of machine learning techniques suitable for temporal modeling, Geomancy determines when and where a bottleneck may happen due to changing workloads and suggests changes in the layout that mitigate or prevent them. Our approach to optimizing throughput offers benefits for storage systems such as avoiding potential bottlenecks and increasing overall I/O throughput from 11% to 30%.

Bel, Oceane M.↗
DOE OSTI2024

BEAST DB: Grand-Canonical Database of Electrocatalyst Properties

We present BEAST DB, an open-source database comprised of ab initio electrochemical data computed using grand-canonical density functional theory in implicit solvent at consistent calculation parameters. The database contains over 20,000 surface calculations and covers a broad set of heterogeneous catalyst materials and electrochemical reactions. Calculations were performed at self-consistent fixed potential as well as constant charge to facilitate comparisons to the computational hydrogen electrode. This article presents common use cases of the database to rationalize trends in catalyst activity, screen catalyst material spaces, understand elementary mechanistic steps, analyze the electronic structure, and train machine learning models to predict higher fidelity properties. Users can interact graphically with the database by querying for individual calculations to gain a granular understanding of reaction steps or by querying for an entire reaction pathway on a given material using an interactive reaction pathway tool. BEAST DB will be periodically updated, with planned future updates to include advanced electronic structure data, surface speciation studies, and greater reaction coverage.

database↗
DOE OSTI2022

A machine learning pipeline for membrane segmentation of cryo-electron tomograms

We describe how to use several machine learning techniques organized in a learning pipeline to segment and identify cell membrane structures from cryo electron tomograms. These tomograms are difficult to analyze with traditional segmentation tools. The learning pipeline in our approach starts from supervised learning via a special convolutional neural network trained with simulated data. It continues with semi-supervised reinforcement learning and/or a region merging technique that tries to piece together disconnected components belonging to the same membrane structure. A parametric or non-parametric fitting procedure is then used to enhance the segmentation results and quantify uncertainties in the fitting. Domain knowledge is used in generating the training data for the neural network and in guiding the fitting procedure through the use of appropriately chosen priors and constraints. We demonstrate that the approach proposed here works well for extracting membrane surfaces in two real tomogram datasets.

97 MATHEMATICS AND COMPUTING↗