Search NASA⌕ Search

SEARCH · Search NASA

Results for “deep learning benchmarks”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Explore Spatio‐Temporal Learning of Large Sample Hydrology Using Graph Neural Networks

Abstract Streamflow forecasting over gauged and ungauged basins play a vital role in water resources planning, especially under the changing climate. Increased availability of large sample hydrology data sets, together with recent advances in deep learning techniques, has presented new opportunities to explore temporal and spatial patterns in hydrological signatures for improving streamflow forecasting. The purpose of this study is to adapt and benchmark several state‐of‐the‐art graph neural network (GNN) architectures, including ChebNet, Graph Convolutional Network (GCN), and GraphWaveNet, for end‐to‐end graph learning. We explicitly represent river basins as nodes in a graph, learn the spatiotemporal nodal dependencies, and then use the learned relations to predict streamflow simultaneously across all nodes in the graph. The efficacy of the developed GNN models is investigated using the Catchment Attributes and MEteorology for Large‐sample Studies (CAMELS) data set under two settings, fixed graph topology (transductive learning), and variable graph topology (inductive learning), with the latter applicable to prediction in ungauged basins (PUB). Results indicate that GNNs are generally robust and computationally efficient, achieving similar or better performance than a baseline model trained using the long short‐term memory (LSTM) network. Further analyses are conducted to interpret the graph learning process at the edge and node levels and to investigate the effect of different model configurations. We conclude that graph learning constitutes a viable machine learning‐based method for aggregating spatiotemporal information from a multitude of sources for streamflow forecasting

Sun, Alexander Y.↗
DOE OSTI2021

Deep graph representations embed network information for robust disease marker identification

We report that the accurate disease diagnosis and prognosis based on omics data rely on the effective identification of robust prognostic and diagnostic markers that reflect the states of the biological processes underlying the disease pathogenesis and progression. In this article, we present GCNCC, a Graph Convolutional Network-based approach for Clustering and Classification, that can identify highly effective and robust network-based disease markers. Based on a geometric deep learning framework, GCNCC learns deep network representations by integrating gene expression data with protein interaction data to identify highly reproducible markers with consistently accurate prediction performance across independent datasets possibly from different platforms. GCNCC identifies these markers by clustering the nodes in the protein interaction network based on latent similarity measures learned by the deep architecture of a graph convolutional network, followed by a supervised feature selection procedure that extracts clusters that are highly predictive of the disease state. By benchmarking GCNCC based on independent datasets from different diseases (psychiatric disorder and cancer) and different platforms (microarray and RNA-seq), we show that GCNCC outperforms other state-of-the-art methods in terms of accuracy and reproducibility.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

A Deep State Space Model for Rainfall‐Runoff Simulations

The classical way of studying the rainfall‐runoff processes in the water cycle relies on conceptual or physically‐based hydrologic models. Deep learning (DL) has recently emerged as an alternative and blossomed in the hydrology community for rainfall‐runoff simulations. However, the decades‐old Long Short‐Term Memory (LSTM) network remains the benchmark for this task, outperforming newer architectures like Transformers. In this work, we propose a State Space Model (SSM), specifically the Frequency Tuned Diagonal State Space Sequence (S4D‐FT) model, for rainfall‐runoff simulations. The proposed S4D‐FT is benchmarked against the established LSTM and a physically‐based Sacramento Soil Moisture Accounting model under in‐sample and out‐of‐sample simulation setups across 531 watersheds in the contiguous United States (CONUS). Results show that S4D‐FT is able to outperform the LSTM model across diverse regions under both simulation setups, especially for regions that feature snowmelt‐driven or intermittent flow regimes. In contrast, S4D‐FT tends to underperform in flashier, high‐magnitude flow regimes, likely due to its global state‐space convolution computation that emphasizes slow, storage‐driven dynamics, which makes it less effective at picking up short bursts and noisy spikes in the data. In summary, our pioneering introduction of the S4D‐FT for rainfall‐runoff simulations challenges the dominance of LSTM in the hydrology community and expands the arsenal of DL tools available for hydrological modeling.

Wang, Yihan [Univ. of Oklahoma, Norman, OK (United↗
DOE OSTI2024

Leveraging Artificial Intelligence to Expedite Antibody Design and Enhance Antibody–Antigen Interactions

This perspective sheds light on the transformative impact of recent computational advancements in the field of protein therapeutics, with a particular focus on the design and development of antibodies. Cutting-edge computational methods have revolutionized our understanding of protein–protein interactions (PPIs), enhancing the efficacy of protein therapeutics in preclinical and clinical settings. Central to these advancements is the application of machine learning and deep learning, which offers unprecedented insights into the intricate mechanisms of PPIs and facilitates precise control over protein functions. Despite these advancements, the complex structural nuances of antibodies pose ongoing challenges in their design and optimization. Our review provides a comprehensive exploration of the latest deep learning approaches, including language models and diffusion techniques, and their role in surmounting these challenges. We also present a critical analysis of these methods, offering insights to drive further progress in this rapidly evolving field. The paper includes practical recommendations for the application of these computational techniques, supplemented with independent benchmark studies. These studies focus on key performance metrics such as accuracy and the ease of program execution, providing a valuable resource for researchers engaged in antibody design and development. Through this detailed perspective, we aim to contribute to the advancement of antibody design, equipping researchers with the tools and knowledge to navigate the complexities of this field.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

GrAMME: Semisupervised Learning Using Multilayered Graph Attention Models

Modern data analysis pipelines are becoming increasingly complex due to the presence of multiview information sources. While graphs are effective in modeling complex relationships, in many scenarios, a single graph is rarely sufficient to succinctly represent all interactions, and hence, multilayered graphs have become popular. Though this leads to richer representations, extending solutions from the single-graph case is not straightforward. Consequently, there is a strong need for novel solutions to solve classical problems, such as node classification, in the multilayered case. In this article, we consider the problem of semisupervised learning with multilayered graphs. Though deep network embeddings, e.g., DeepWalk, are widely adopted for community discovery, we argue that feature learning with random node attributes, using graph neural networks, can be more effective. To this end, we propose to use attention models for effective feature learning and develop two novel architectures, GrAMME-SG and GrAMME-Fusion, that exploit the interlayer dependences for building multilayered graph embeddings. Using empirical studies on several benchmark data sets, we evaluate the proposed approaches and demonstrate significant performance improvements in comparison with the state-of-the-art network embedding strategies. The results also show that using simple random features is an effective choice, even in cases where explicit node attributes are not available.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Convolutional neural networks for intra-hour solar forecasting based on sky image sequences

Accurate and timely solar forecasts play an increasingly critical role in power systems. Compared to longer forecasting timescales, very short-term solar forecasting has lagged behind in both research and practice. In this paper, we propose deep convolutional neural networks (CNNs) to provide operational intra-hour (10-minute-ahead to 60-minute-ahead) solar forecasts. We develop two CNN structures inspired by a widely-used CNN architecture. The CNNs are tailored to our solar forecasting regression tasks and rely solely on sky image sequences. Case studies based on six years of data (over 150,000 data points) demonstrate that the best CNN model has forecast skill scores of 20%-39% over the naive persistence of cloudiness benchmark, even at these very short timescales. The CNNs also have consistently superior performance when compared to shallow machine learning models with meteorological predictors, where the improvement averages around 7%. The sensitivity analyses show that the sky image length, resolution, and weather conditions have impacts on the deep learning model accuracy. In our intra-hour problem with specific setups, two sky images with a 10-minute 128 x 128 resolution yield the most accurate forecasts. Current limitations, future work, and deployment challenges and solutions are also discussed.

14 SOLAR ENERGY↗
DOE OSTI2024

A Deep Multimodal Representation Learning Framework for Accurate Molecular Properties Prediction

Drug discovery is a complex and challenging process, requiring the optimization of candidate compounds to identify those with the potential to become safe and effective drugs. Predicting molecular properties is an indispensable step in the drug discovery pipeline. Traditionally, this process is costly and time-intensive, involving multiple rounds of experiments and clinical trials, rendering it impractical for every candidate compound. Deep learning techniques have emerged as a promising approach to drug discovery to reduce the cost and time required to identify novel drugs. However, prevalent research in deep learning models focused on predicting molecular properties has primarily fixated on single-modal models, which utilize a single modality of data, neglecting the potential benefits of combining different data modalities. To overcome this limitation, we introduce MRL-Mol: a deep \textbf{M}ultimodal \textbf{R}epresentation \textbf{L}earning framework for accurate \textbf{Mol}ecular properties prediction. MRL-Mol harnesses three data modalities: sequence, graph, and image, augmenting the depth of comprehension. Leveraging a large-scale unlabeled dataset~($\sim$1M unique molecules), we pretrain MRL-Mol to extract inter- and intra-modal information. Our study demonstrates the superior performance of MRL-Mol in predicting molecular properties across six benchmark datasets, including both classification and regression tasks. Notably, MRL-Mol outperforms other state-of-the-art molecular properties prediction models. These findings suggest that by combining information from multiple data modalities, MRL-Mol can comprehend molecules better than single-modal deep learning models and identify molecular properties with better accuracy.

Yang, Yuxin↗
DOE OSTI2020

Detection and Diagnosis of Data Integrity Attacks in Solar Farms Based on Multilayer Long Short-Term Memory Network

Photovoltaic (PV) systems are becoming more vulnerable to cyber threats. In response to this emerging concern, developing cyber-secure power electronics converters has received increased attention from the IEEE Power Electronics Society that recently launched a cyber-physical-security initiative. Here this letter proposes a deep sequence learning based diagnosis solution for data integrity attacks on PV systems in smart grids, including dc–dc and dc–ac converters. The multilayer long short-term memory networks are used to leverage time-series electric waveform data from current and voltage sensors in PV systems. The proposed method has been evaluated in a PV smart grid benchmark model with extensive quantitative analysis. As a comparison, we have evaluated classic data-driven methods, including K-nearest neighbor, decision tree, support vector machine, artificial neural network, and convolutional neural network. Comparison results verify performances of the proposed method for detection and diagnosis of various data integrity attacks on PV systems.

42 ENGINEERING↗
DOE OSTI2020

Power System Event Classification and Localization Using a Convolutional Neural Network

Detection and timely identification of power system disturbances are essential for situation awareness and reliable electricity grid operation. Because records of actual events in the system are limited, ensemble simulation-based events are needed to provide adequate data for building event-detection models through deep learning; e.g., a convolutional neural network (CNN). An ensemble numerical simulation-based training data set have been generated through dynamic simulations performed on the Polish system with various types of faults in different locations. Such data augmentation is proven to be able to provide adequate data for deep learning. The synchronous generators’ frequency signals are used and encoded into images for developing and evaluating CNN models for classification of fault types and locations. With a time-domain stacked image set as the benchmark, two different time-series encoding approaches, i.e., wavelet decomposition-based frequency-domain stacking and polar coordinate system-based Gramian Angular Field (GAF) stacking, are also adopted to evaluate and compare the CNN model performance and applicability. The various encoding approaches are suitable for different fault types and spatial zonation. With optimized settings of the developed CNN models, the classification and localization accuracies can go beyond 84 and 91%, respectively.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

A Deep Generative Model for Non-Intrusive Identification of EV Charging Profiles

The proliferation of electric vehicles (EVs) brings environmental benefits and technical challenges to power grids. An identification algorithm which can accurately extract individual EV charging profiles out of widely available smart meter measurements has attracted great interests. This paper proposes a non-intrusive identification framework for EV charging profile extraction, which is driven by deep generative models (DGM). First, the proposed DGM is designed as a representation layer embedded into the Markov process and used to model the joint probability distribution of available time-series data. A novel contribution is to approximate posterior distributions by neural networks whose parameters are obtained by variational inference and supervised learning. Second, the EV charging status is inferred from the DGM via dynamic programming. Lastly, the desired EV charging profile can be reconstructed by the rated power of EV models and inferred status. Compared with the benchmark Hidden Markov Models, the proposed framework can better handle noise in data with less computational complexity and better overall accuracy performances with smaller recall. The proposed framework is validated by numerical experiments on the Pecan Street dataset.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Fuzzy Simplicial Networks: A Topology-Inspired Model to Improve Task Generalization in Few-shot Learning

Deep learning has shown great success in settings with massive amounts of data but has struggled when data is limited. Few-shot learning algorithms, which seek to address this limitation, are designed to generalize well to new tasks with limited data. Typically, models are evaluated on unseen classes and datasets that are defined by the same fundamental task as they are trained for (e.g. category membership). One can also ask how well a model can generalize to fundamentally different tasks within a fixed dataset (for example: moving from category membership to tasks that involve detecting object orientation or quantity). To formalize this kind of shift we define a notion of “independence of tasks” and identify three new sets of labels for established computer vision datasets that test a model's ability to generalize to tasks which draw on orthogonal attributes in the data. We use these datasets to investigate the failure modes of metric-based few-shot models. Based on our findings, we introduce a new few-shot model called Fuzzy Simplicial Networks (FSN) which leverages a construction from topology to more flexibly represent each class from limited data. In particular, FSN models can not only form multiple representations for a given class but can also begin to capture the low-dimensional structure which characterizes class manifolds in the encoded space of deep networks. We show that FSN outperforms state-of-the-art models on the challenging tasks we introduce in this paper while remaining competitive on standard few-shot benchmarks.

deep learning↗
NASA NTRS2022

Microstructure Segmentation With Deep Learning Encoders Pre-Trained on a Large Microscopy Dataset

This study examined the improvement of microscopy segmentation intersection over union accuracy by transfer learning from a large dataset of microscopy images called MicroNet. Many neural network encoder architectures were trained on over 100,000 labeled microscopy images from 54 material classes. These pre-trained encoders were then embedded into multiple segmentation architectures including UNet and DeepLabV3+ to evaluate segmentation performance on created benchmark microscopy datasets. Compared to ImageNet pre-training, models pre-trained on MicroNet generalized better to out-of-distribution micrographs taken under different imaging and sample conditions and were more accurate with less training data. When training with only a single Ni-superalloy image, pre-training on MicroNet produced a 72.2% reduction in relative intersection over union error. These results suggest that transfer learning from large in-domain datasets generate models with learned feature representations that are more useful for downstream tasks and will likely improve any microscopy image analysis technique that can leverage pre-trained encoders.

machine learning↗
DOE OSTI2026

Using Machine Learning to Understand Electric and Hybrid Vehicles Ownership in Burdened and Nonburdened Communities

Transitioning to electric and hybrid vehicles (EHVs) for all communities is a pivotal step toward sustainable transportation and environmental conservation. This paper aims to understand the adoption of EHVs, focusing on burdened communities (BCs) in the United States. The EHV ownership-based analysis combines two datasets—behavioral data from the Puget Sound Regional Travel Survey integrated with BCs (Justice40) data covering transportation insecurity, environmental burden, social vulnerability, health vulnerability, and climate and disaster risk burden. After creating this unique database, descriptive analysis and modeling are used to analyze the data and predict EHV ownership in the future. Specifically, we use a new method that combines particle swarm optimization (PSO) with a stacking model named PSO-Stacking, which incorporates heterogeneous base learners of machine learning and deep learning. PSO applies a customized objective function to select the optimal hyperparameters for heterogeneous learners within the stacking model, effectively addressing challenges such as multicollinearity, data imbalance, nonlinearity, and overfitting. The proposed solution covers more accurate results than standard benchmark models for EHV ownership in BCs and non-BCs. In addition, the results of the PSO-Stacking method are explained using the local interpretable model-agnostic explanations technique. Results show a negative correlation between the BCs indicators, that is, higher transportation insecurity associated with lower EHV ownership. Furthermore, BCs have higher future climate risk scores, diesel particulate matter levels, and PM2.5 in the air than non-BCs because of higher conventional vehicle ownership. These communities are at higher risk and can benefit from electrification, EV infrastructure, and EV policies to address environmental challenges.

Aslam, Zeeshan [ORNL]↗
DOE OSTI2022

Solar Irradiance Ramp Forecasting Based on All-Sky Imagers

Solar forecasting constitutes a critical tool for operating, producing and storing generated power from solar farms. In the framework of the International Energy Agency’s Photovoltaic Power Systems Program Task 16, the solar irradiance nowcast algorithms, based on five all-sky imagers (ASIs), are used to investigate the feasibility of ASIs to foresee ramp events. ASIs 1–2 and ASIs 3–5 can capture the true ramp events by 26.0–51.0% and 49.0–92.0% of the cases, respectively. ASIs 1–2 provided the lowest (<10.0%) falsely documented ramp events while ASIs 3–5 recorded false ramp events up to 85.0%. On the other hand, ASIs 3–5 revealed the lowest falsely documented no ramp events (8.0–51.0%). ASIs 1–2 are developed to provide spatial solar irradiance forecasts and have been delimited only to a small area for the purposes of this benchmark, which penalizes these approaches. These findings show that ASI-based nowcasts could be considered as a valuable tool for predicting solar irradiance ramp events for a variety of solar energy technologies. The combination of physical and deep learning-based methods is identified as a potential approach to further improve the ramp event forecasts.

14 SOLAR ENERGY↗
NASA NTRSDate not supplied

Biological Research and Space Health Enabled by Machine Learning to Support Deep Space Missions

A key science goal of the NASA “Moon to Mars” campaign is to understand how biology responds to the Lunar, Martian, and deep space environments in order to advance fundamental knowledge and support human space missions. Through artificial intelligence (AI) and machine learning (ML), a paradigm shift has begun in space biosciences and engineered astronaut health systems, to enable Earth-independence and mission operations autonomy. We describe current AI/ML methods to support 1) fundamental biology, 2) in situ analytics, 3) high performance computing, 4) automated science, 5) self-driving labs, 6) remote data management, 7) integrated mission biomonitoring, and 8) a Precision Space Health system. AI/ML approaches that can be integrated to support these domains include active learning, explainable AI, adaptive learning, causal inference, knowledge graphs, federated learning, transfer learning, and large language models. Finally, we present results from several current ML projects that are underway in the space biology field to address key challenges of small sample n, high feature count, heterogeneity, and sparse data. These include 1) connecting omics to phenotypic data using an ensemble model to infer causality of rodent liver health disruption, 2) usage of explainable ML to interrogate muscular underpinnings of muscle atrophy, 3) ML models analyzing and determining directed acyclic graphs of human health risk leveraging rodent bone datasets, 4) usage of large pre-trained models connecting biomedical knowledgebases with small spaceflight datasets to understand gene-to-gene interactions, and 5) a suite of benchmarked open science datasets enabling programmers to identify best algorithms to answer space biology questions.

space biology↗
DOE OSTI2023

Recipes for when physics fails: recovering robust learning of physics informed neural networks

Abstract Physics-informed neural networks (PINNs) have been shown to be effective in solving partial differential equations by capturing the physics induced constraints as a part of the training loss function. This paper shows that a PINN can be sensitive to errors in training data and overfit itself in dynamically propagating these errors over the domain of the solution of the PDE. It also shows how physical regularizations based on continuity criteria and conservation laws fail to address this issue and rather introduce problems of their own causing the deep network to converge to a physics-obeying local minimum instead of the global minimum. We introduce Gaussian process (GP) based smoothing that recovers the performance of a PINN and promises a robust architecture against noise/errors in measurements. Additionally, we illustrate an inexpensive method of quantifying the evolution of uncertainty based on the variance estimation of GPs on boundary data. Robust PINN performance is also shown to be achievable by choice of sparse sets of inducing points based on sparsely induced GPs. We demonstrate the performance of our proposed methods and compare the results from existing benchmark models in literature for time-dependent Schrödinger and Burgers’ equations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2022

Microstructure Segmentation with Deep Learning Encoders Pre-Trained on a Large Microscopy Dataset

This study examined the improvement of microscopy segmentation accuracy by transfer learning from a large dataset of microscopy images called MicroNet. Many neural network encoder architectures, including VGG, Inception, and ResNet, were trained on over 100,000 labelled microscopy images from 54 classes. These pre-trained encoders were then embedded into multiple segmentation architectures including U-Net and DeepLabV3+ to evaluate segmentation performance on newly created benchmark microscopy datasets. Compared to ImageNet pre-training, models pre-trained on MicroNet generalized better to out-of-distribution micrographs taken under different imaging and sample conditions and were more accurate with less training data. When training with only a single Ni-superalloy image, pre-training on MicroNet produced a 72.2 percent reduction in relative segmentation error. These results suggest that transfer learning from large in-domain datasets generate models with learned feature representations that are more useful for downstream tasks and will likely improve any microscopy image analysis technique that can leverage pre-trained encoders.

machine learning↗
DOE OSTI2024

Predicting metabolic modules in incomplete bacterial genomes with MetaPathPredict

The reconstruction of complete microbial metabolic pathways using ‘omics data from environmental samples remains challenging. Computational pipelines for pathway reconstruction that utilize machine learning methods to predict the presence or absence of KEGG modules in incomplete genomes are lacking. Here, we present MetaPathPredict, a software tool that incorporates machine learning models to predict the presence of complete KEGG modules within bacterial genomic datasets. Using gene annotation data and information from the KEGG module database, MetaPathPredict employs deep learning models to predict the presence of KEGG modules in a genome. MetaPathPredict can be used as a command line tool or as a Python module, and both options are designed to be run locally or on a compute cluster. Benchmarks show that MetaPathPredict makes robust predictions of KEGG module presence within highly incomplete genomes.

59 BASIC BIOLOGICAL SCIENCES↗