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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.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Masked Symbol Modeling for Demodulation of Oversampled Baseband Communication Signals in Impulsive Noise-Dominated Channels

Recent breakthroughs in natural language processing show that attention mech- anism in Transformer networks, trained via masked-token prediction, enables models to capture the semantic context of the tokens and internalize the grammar of language. While the application of Transformers to communication systems is a burgeoning field, the notion of context within physical waveforms remains under-explored. This paper addresses that gap by re-examining inter-symbol con- tribution (ISC) caused by pulse-shaping overlap. Rather than treating ISC as a nuisance, we view it as a deterministic source of contextual information embedded in oversampled complex baseband signals. We propose Masked Symbol Model- ing (MSM), a framework for the physical (PHY) layer inspired by Bidirectional Encoder Representations from Transformers methodology. In MSM, a subset of symbol-aligned samples is randomly masked, and a Transformer predicts the missing symbol identifiers using the surrounding “in-between” samples. Through this objective, the model learns the latent syntax of complex baseband waveforms. We illustrate MSM’s potential by applying it to the task of demodulating sig- nals corrupted by impulsive noise, where the model infers corrupted segments by leveraging the learned context. Our results suggest a path toward receivers that interpret, rather than merely detect communication signals, opening new avenues for context-aware PHY layer design.

Bedir, Oguz↗
DOE OSTI2025

Blockchain Research and Development Activities Sponsored by the U.S. Department of Energy and Utility Sector

This article provides an in-depth analysis of blockchain research in the energy sector, focusing on projects funded by the U.S. Department of Energy (DOE) and comparing them with industry-funded initiatives. A total of 110 funded activities within the U.S. power industry were successfully tracked and mapped into a newly developed categorization framework. This framework is designed to help research agencies to systematically understand their funded portfolio. Such characterization is expected to help them make effective investments, identify research gaps, measure impact, and advance technological progress to meet national goals. In line with this need, the proposed framework proposes a 2-D categorization matrix to systematically classify blockchain efforts within the energy sector.Under the proposed framework, the Energy System Domain serves as the primary classification dimension, categorizing use cases into 30 distinct applications. The second dimension, Blockchain Properties, captures the specific needs and functionalities provided by Blockchain technology. The aim was to capture blockchain’s applicability and functionality: where and why blockchain? Principles behind the selection of the viewpoint dimensions were carefully defined based on consensus obtained through the Blockchain for Optimized Security and Energy Management (BLOSEM) project. The mapped results show that activities within the Grid Automation, Coordination, and Control (31.8%), Marketplaces and Trading (25.5%), Foundational Blockchain Research (19.1%), and Supply Chain Management (17.3%) domains have been actively pursued to date. The three leading specific use case applications were identified as Transactive Energy Management for Marketplaces and Trading, Asset Management for Supply Chain Management, and Fundamental Blockchain for Foundational Blockchain Research. The Marketplaces and Trading and Retail Services Enablement domains stood out as being favored by industry by a factor greater than 2 (2.3 and 2.6, respectively), yet there seemed to be little to zero investment from DOE. Approximately 76% of the total projects prioritized Immutability, Identity Management, and Decentralization and/or Disintermediation compared to Asset Digitization and/or Tokenization, Automation, and Privacy and/or Anonymity. The greatest discrepancies between DOE and industry were in Asset Digitization and/or Tokenization and Automation. The industry efforts (36% in Asset Digitization/Tokenization and 22% in Automation) was 14 times and 2.4 times, respectively, more intensive than the DOE-sponsored efforts, indicating a significant discrepancy in industry versus government priorities. Overall, quantifying DOE-sponsored projects and industry activities through mapping provides clarity on portfolio investments and opportunities for future research.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

SHF: Symmetrical Hierarchical Forest with Pretrained Vision Transformer Encoder for High-Resolution Medical Segmentation

This paper presents a novel approach to addressing the long-sequence problem in high-resolution medical images for Vision Transformers (ViTs). Using smaller patches as tokens can enhance ViT performance, but quadratically increases computation and memory requirements. Therefore, the common practice for applying ViTs to high-resolution images is either to: (a) employ complex sub-quadratic attention schemes or (b) use large to medium-sized patches and rely on additional mechanisms within the model to capture the spatial hierarchy of details. We propose Symmetrical Hierarchical Forest (SHF), a lightweight approach that adaptively patches the input image to increase token information density and encode hierarchical spatial structures into the input embedding. We then apply a reverse depatching scheme to the output embeddings of the transformer encoder, eliminating the need for convolution-based decoders. Unlike previous methods that modify attention mechanisms or use a complex hierarchy of interacting models, SHF can be retrofitted to any ViT model to allow it to learn the hierarchical structure of details in high-resolution images without requiring architectural changes. Experimental results demonstrate significant gains in computational efficiency and performance: on the PAIP WSI dataset, we achieved a 3∼32×speedup or a 2.95%∼7.03% increase in accuracy (measured by Dice score) at a 64K2 resolution with the same computational budget, compared to state-of-the-art production models. On the 3D medical datasets BTCV and KiTS, training was 6×faster, with accuracy gains of 6.93% and 5.9%, respectively, compared to models without SHF.

Zhang, Enzhi [Hokkaido University, Japan]↗
DOE OSTI2025

Intern Poster

Large Language Models (LLMs) have skyrocketed in popularity after the release of ChatGPT in late 2022. Although LLMs are powerful tools, they can be subject to hallucinations, which is when an LLM (or any AI model) produces misleading/ nonsensical information. The objective is to determine if statistical methods can be used to detect hallucinations as an LLM generates its answer token by token (essentially word by word).

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Hybrid Quantum–Classical Graph Transformers for Efficient Sentiment Analysis

Quantum Machine Learning (QML) offers a promising paradigm that leverages quantum computing principles to develop efficient and expressive models for learning from complex and structured data. Recent advances in natural language processing (NLP) and artificial intelligence (AI) have demonstrated capabilities in understanding, generating, and reasoning over linguistic and multimodal information. In this work, we present the Quantum Graph Transformer (QGT), a hybrid quantum–classical architecture that extends graph transformer capabilities through quantum self-attention. The QGT models variable-length sentences as token graphs, where both the embedding encoding and the self-attention mechanisms are implemented using parameterized quantum circuits (PQCs), enabling efficient contextual learning with significantly fewer trainable parameters. We train QGT using both fully connected and 𝑘 -nearest-neighbor graph structures and evaluate it on five benchmark sentiment-classification datasets. Experimental results show that QGT consistently achieves higher or comparable accuracy to existing quantum NLP models and outperforms a Classical Graph Transformer (CGT) baseline with identical architecture, achieving 29.4 × fewer parameters while requiring 3–5 × fewer samples to reach comparable performance. These findings highlight the potential of graph-based quantum models as scalable and data-efficient architectures for natural language understanding.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Peak2Patch: High-Fidelity Functional Group Identification through Attention-Based Fusion of Infrared and Mass Spectra

Identifying molecular structure based on spectroscopic readings is a key task in a variety of chemical and biological applications. Common spectroscopy techniques, such as Infrared (IR) Spectroscopy and Mass Spectrometry (MS), provide detailed information on the structure of molecular compounds but nonetheless require expert-level knowledge to decode. Machine learning has emerged as a potential solution for automating structure prediction from chemical spectra; however, current approaches generally focus on single sensor modalities, neglecting to leverage the complementary information contained within differing spectra. In this paper, we introduce Peak2Patch, a novel approach to fusion-enhanced prediction of functional groups from IR and mass spectra. First, we perform a detailed comparison of backbone networks for encoding both sparse mass spectra and dense IR spectra and demonstrate the superior performance of transformer neural networks over current state-of-the-art convolutional neural networks. Second, we evaluate three broad categories of fusion: early (raw feature), middle (deep feature), and late (decision) fusion, demonstrating the potential of a deep feature fusion-based approach. Lastly, we present Peak2Patch, our attention-based fusion scheme, which leverages cross-attention to mix features between encoded tokens of the two modalities. We validate our approach on a publicly available multimodal spectroscopic data set of 790k simulated molecules, demonstrating a large improvement in functional group prediction over both the previous state-of-the-art and our own strong single-modal baselines.

Jacobson, Philip [Sandia National Laboratories (SN↗
DOE OSTI2024

RNA language models predict mutations that improve RNA function

Structured RNA lies at the heart of many central biological processes, from gene expression to catalysis. RNA structure prediction is not yet possible due to a lack of high-quality reference data associated with organismal phenotypes that could inform RNA function. We present GARNET (Gtdb Acquired RNa with Environmental Temperatures), a new database for RNA structural and functional analysis anchored to the Genome Taxonomy Database (GTDB). GARNET links RNA sequences to experimental and predicted optimal growth temperatures of GTDB reference organisms. Using GARNET, we develop sequence- and structure-aware RNA generative models, with overlapping triplet tokenization providing optimal encoding for a GPT-like model. Leveraging hyperthermophilic RNAs in GARNET and these RNA generative models, we identify mutations in ribosomal RNA that confer increased thermostability to the Escherichia coli ribosome. The GTDB-derived data and deep learning models presented here provide a foundation for understanding the connections between RNA sequence, structure, and function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

TransPolymer: a Transformer-based language model for polymer property predictions

Accurate and efficient prediction of polymer properties is of great significance in polymer design. Conventionally, expensive and time-consuming experiments or simulations are required to evaluate polymer functions. Recently, Transformer models, equipped with self-attention mechanisms, have exhibited superior performance in natural language processing. However, such methods have not been investigated in polymer sciences. Herein, we report TransPolymer, a Transformer-based language model for polymer property prediction. Our proposed polymer tokenizer with chemical awareness enables learning representations from polymer sequences. Rigorous experiments on ten polymer property prediction benchmarks demonstrate the superior performance of TransPolymer. Moreover, we show that TransPolymer benefits from pretraining on large unlabeled dataset via Masked Language Modeling. Experimental results further manifest the important role of self-attention in modeling polymer sequences. We highlight this model as a promising computational tool for promoting rational polymer design and understanding structure-property relationships from a data science view.

36 MATERIALS SCIENCE↗
DOE OSTI2024

ATAT: Astronomical Transformer for time series and Tabular data

Context. The advent of next-generation survey instruments, such as theVera C. RubinObservatory and its Legacy Survey of Space and Time (LSST), is opening a window for new research in time-domain astronomy. The Extended LSST Astronomical Time-Series Classification Challenge (ELAsTiCC) was created to test the capacity of brokers to deal with a simulated LSST stream. Aims. Our aim is to develop a next-generation model for the classification of variable astronomical objects. We describe ATAT, the Astronomical Transformer for time series And Tabular data, a classification model conceived by the ALeRCE alert broker to classify light curves from next-generation alert streams. ATAT was tested in production during the first round of the ELAsTiCC campaigns. Methods. ATAT consists of two transformer models that encode light curves and features using novel time modulation and quantile feature tokenizer mechanisms, respectively. ATAT was trained on different combinations of light curves, metadata, and features calculated over the light curves. We compare ATAT against the current ALeRCE classifier, a balanced hierarchical random forest (BHRF) trained on human-engineered features derived from light curves and metadata. Results. When trained on light curves and metadata, ATAT achieves a macro F1 score of 82.9 ± 0.4 in 20 classes, outperforming the BHRF model trained on 429 features, which achieves a macro F1 score of 79.4 ± 0.1. Conclusions. The use of transformer multimodal architectures, combining light curves and tabular data, opens new possibilities for classifying alerts from a new generation of large etendue telescopes, such as theVera C. RubinObservatory, in real-world brokering scenarios.

Astronomy & Astrophysics↗
DOE OSTI2024

DIRAC current, upcoming and planned capabilities and technologies

DIRAC is the interware for building and operating large scale distributed computing systems. It is adopted by multiple collaborations from various scientific domains for implementing their computing models. DIRAC provides a framework and a rich set of ready-to-use services for Workload, Data and Production Management tasks of small, medium and large scientific communities having different computing requirements. The base functionality can be easily extended by custom components supporting community specific workflows. DIRAC is at the same time an aging project, and a new DiracX project is taking shape for replacing DIRAC in the long term. This contribution will highlight DIRAC’s current, upcoming and planned capabilities and technologies, and how the transition to DiracX will take place. Examples include, but are not limited to, adoption of security tokens and interactions with Identity Provider services, integration of Clouds and High Performance Computers, interface with Rucio, improved monitoring and deployment procedures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

dCache project status and update

The dCache project delivers an open-source, massively scalable, distributed storage system deployed internationally to satisfy today’s scientists’ ever-demanding storage requirements. Its multifaceted approach supports different use cases with the same storage, from high throughput data ingest, data sharing over wide area networks, efficient access from HPC clusters, and longterm data persistence on tertiary storage. Even though dCache was initially developed for HEP experiments, today, it is used by various scientific communities, including astrophysics, biomed, and life science, each with their specific requirements. To match the needs of these new communities and keep up with the scaling demands of existing experiments, dCache is permanently evolving. With this contribution, we would like to highlight the recent developments in dCache regarding integration with CERN Tape Archive (CTA), advanced metadata handling, token-based authorization support, bulk API for QoS transitions, REST API to control interaction with the tape system, and future development directions.

Mkrtchyan, Tigran [DESY]↗
DOE OSTI2022

Event driven readout architecture with non-priority arbitration for radiation detectors

A novel event driven readout architecture, EDWARD (Event Driven with Access and 8 Reset Decoder) architecture, for highly granular pixel detectors is presented. It incorporates, inter alia, an asynchronous arbitration tree based on Seitz' arbiters, removing the need for an imposed prioritization scheme. It also provides protection against glitches during readout. The system allows not only reading pixel activities, but also retrieving additional data, both analog and digital, from the pixels. A novel in-channel logic allows the entire readout process to be split into consecutive phases for additional flexibility. All operations are controlled by only one edge of the clock signal, seen as an acknowledge token, so there is no dead time between readouts.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Masked Particle Modeling on Sets: Towards Self-Supervised High Energy Physics Foundation Models

Abstract We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a novel scheme to perform masked modeling based pre-training to learn permutation invariant functions on sets. More generally, this work provides a step towards building large foundation models for HEP that can be generically pre-trained with self-supervised learning and later fine-tuned for a variety of down-stream tasks. In MPM, particles in a set are masked and the training objective is to recover their identity, as defined by a discretized token representation of a pre-trained vector quantized variational autoencoder. We study the efficacy of the method in samples of high energy jets at collider physics experiments, including studies on the impact of discretization, permutation invariance, and ordering. We also study the fine-tuning capability of the model, showing that it can be adapted to tasks such as supervised and weakly supervised jet classification, and that the model can transfer efficiently with small fine-tuning data sets to new classes and new data domains.

Heinrich, Lukas (ORCID:0000000240487584)↗
DOE OSTI2023

K-RET: knowledgeable biomedical relation extraction system

Abstract Motivation Relation extraction (RE) is a crucial process to deal with the amount of text published daily, e.g. to find missing associations in a database. RE is a text mining task for which the state-of-the-art approaches use bidirectional encoders, namely, BERT. However, state-of-the-art performance may be limited by the lack of efficient external knowledge injection approaches, with a larger impact in the biomedical area given the widespread usage and high quality of biomedical ontologies. This knowledge can propel these systems forward by aiding them in predicting more explainable biomedical associations. With this in mind, we developed K-RET, a novel, knowledgeable biomedical RE system that, for the first time, injects knowledge by handling different types of associations, multiple sources and where to apply it, and multi-token entities. Results We tested K-RET on three independent and open-access corpora (DDI, BC5CDR, and PGR) using four biomedical ontologies handling different entities. K-RET improved state-of-the-art results by 2.68% on average, with the DDI Corpus yielding the most significant boost in performance, from 79.30% to 87.19% in F-measure, representing a P-value of 2.91×10−12. Availability and implementation https://github.com/lasigeBioTM/K-RET.

Sousa, Diana F. (ORCID:0000000305979273)↗
DOE OSTI2025

Towards Automatically Matching Security Advisories to CPEs: String Similarity-based Vendor Matching

When a vulnerability is reported by the National Vulnerability Database (NVD), affected products are listed in the structured Common Platform Enumeration (CPE) format. Unfortunately, if the vulnerability is in a software library (e.g., Log4j), it will not include CPEs for each product containing that library. In these cases, security operators need to manually read the vendor's or third-party security advisories to see if their product is affected. However, these advisories do not report affected products in a structured format, which prevents automated processing, This paper makes the first effort towards automatically constructing structured CPEs for the vulnerable products in a non-NVD security advisory from the unstructured data in the advisory. Since this is a very challenging problem, this paper specifically focuses on the initial but key step of matching the un-structured vendor names in security advisories to the structured vendor representations in the standard CPE format. We explore the feasibility of using string similarity to solve the problem. The basic idea is to compare a vendor name from the non-NVD advisory with each vendor in the official CPE dictionary. The CPE vendor with the highest similarity score to the advisory's vendor will be considered as the match. We first conduct an experimental, comparative study of multiple mainstream string similarity metrics for this matching problem. To improve the performance, we then design a new string similarity metric that is adapted from an existing metric by weighing different tokens in the advisory's vendor name differently.

McClanahan, Kylie↗
DOE OSTI2025

Scalable Multi-Facility Workflows for Artificial Intelligence Applications in Climate Research

Earth observation satellites and earth system models are sources of vast, multi-modal datasets that are invaluable for advancing climate and environmental research. However, their scale and complexity pose significant challenges for processing and analysis. In this paper we discuss our experiences in developing and using a scientific research application using an automated multi-facility workflow that orchestrates data collection, preprocessing, artificial intelligence (AI) inferencing, and data movement across diverse computational resources, leveraging the Advanced Computing Ecosystem Testbed at the Oak Ridge Leadership Computing Facility (OLCF). We demonstrate that our workflow can be seamlessly integrated and orchestrated across research facilities managed by different federal agencies, thus allowing users to extract new scientific insights from climate datasets. The experimental results indicate that the multi-facility workflow significantly reduces processing time, enhances scalability, and maintains high efficiency across varying workloads. Notably, our workflow processes 12,000 high-resolution satellite images in just 44 seconds using 80 workers distributed across 10 nodes on the OLCF systems. Such high throughput is essential for dynamic tokenization and sharding of petascale satellite data for distributed AI model training and inferencing at scale across thousands of GPUs.

Kurihana, Takuya [ORNL] (ORCID:0000000156698565)↗
DOE OSTI2024

A Large Language Model for Determining Partial Tripping of Distributed Energy Resources

Knowing the status of individual distributed energy resources, i.e., being tripped or not, after a contingency can inform the development of an aggregated DER model. Here, this letter presents a large language model application to determine the partial tripping of distributed energy resources depending on the types, locations, and duration of faults in the transmission network. The large language model, or more specifically BERT-based approach can streamline the fault information into tokenized input, which not only reduces the complexity of the machine learning model but also demonstrates a robust performance with only limited data sets.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

CAN-D: A Modular Four-Step Pipeline for Comprehensively Decoding Controller Area Network Data

Controller area networks (CANs) are a broadcast protocol for real-time communication of critical vehicle subsystems. Original equipment manufacturers of passenger vehicles hold secret their mappings of CAN data to vehicle signals, and these definitions vary according to make, model, and year. Without these mappings, the wealth of real-time vehicle information hidden in the CAN packets is uninterpretable, severely impeding vehicle-related research, including CAN cybersecurity and privacy studies, aftermarket tuning, efficiency and performance monitoring, and fault diagnosis to name a few. Guided by the four-part CAN signal definition, we present CAN-D (CAN-Decoder), a modular, four-step pipeline for identifying each signal's boundaries (start bit and length), endianness (byte ordering), signedness (bit-to-integer encoding), and by leveraging diagnostic standards, augmenting a subset of the extracted signals with meaningful, physical interpretation. En route to CAN-D, we provide a comprehensive review of the CAN signal reverse engineering research. All previous methods ignore endianness and signedness, rendering them incapable of decoding many standard CAN signal definitions. Incorporating endianness grows the search space from 128 to 4.72E21 signal tokenizations and introduces a web of changing dependencies. In response, we formulate, formally analyze, and provide an efficient solution to an optimization problem, allowing identification of the optimal set of signal boundaries and byte orderings. In addition, we provide two novel, state-of-the-art signal boundary classifiers—both of which are superior to previous approaches in precision and recall in three different test scenarios—and the first signedness classification algorithm, which exhibits a $>$ 97% F-score. Altogether, CAN-D is the only solution with the potential to extract any CAN signal that is also the state of the art. In evaluation on 10 vehicles of different makes, CAN-D's average $\ell ^1$ error is five times better (81% less) than all previous methods and exhibits lower average error, even when considering only signals that meet prior methods’ assumptions. Finally, CAN-D is implemented in lightweight hardware, allowing for an on-board diagnostic (OBD-II) plugin for real-time in-vehicle CAN decoding.

42 ENGINEERING↗