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At least 55 records · Page 3

Cyber-Attack Identification of Synchrophasor Data Via VMD and Multifusion SVM

A large amount of synchrophasor data in the wide area measurement system (WAMS) needs to be collected and transmitted to the phasor data concentrator, thereby increasing the possibility of being attacked by hackers. The attacked data are therefore hidden into the normal synchrophasor data so that the synchrophasor data based application will be affected. To remedy this problem, an identification framework is proposed to detect the data cyber-attack in WAMS utilizing variational mode decomposition (VMD) and multifusion support vector machine (MSVM). First, VMD is used to transform the attacked data into multiple modal components. Thereafter, a novel MSVM is employed to classify the deterministic features using the proposed linear combined multikernel (LCM). Further, this LCM can fuse multiple types of features, including the time, frequency, and statistical domains of the synchrophasor data. Utilizing the actual data from FNET/GridEye, different experiments are conducted under multiple attack strengths and types. The results demonstrate that the identification framework has higher precision and robustness compared with other conventional classifiers.

97 MATHEMATICS AND COMPUTING↗

Quantum Key Distribution for Critical Infrastructures: Towards Cyber-Physical Security for Hydropower and Dams

Hydropower facilities are often remotely monitored or controlled from a centralized remote control room. Additionally, major component manufacturers monitor the performance of installed components, increasingly via public communication infrastructures. While these communications enable efficiencies and increased reliability, they also expand the cyber-attack surface. Communications may use the internet to remote control a facility’s control systems, or it may involve sending control commands over a network from a control room to a machine. The content could be encrypted and decrypted using a public key to protect the communicated information. These cryptographic encoding and decoding schemes become vulnerable as more advances are made in computer technologies, such as quantum computing. In contrast, quantum key distribution (QKD) and other quantum cryptographic protocols are not based upon a computational problem, and offer an alternative to symmetric cryptography in some scenarios. Although the underlying mechanism of quantum cryptogrpahic protocols such as QKD ensure that any attempt by an adversary to observe the quantum part of the protocol will result in a detectable signature as an increased error rate, potentially even preventing key generation, it serves as a warning for further investigation. In QKD, when the error rate is low enough and enough photons have been detected, a shared private key can be generated known only to the sender and receiver. We describe how this novel technology and its several modalities could benefit the critical infrastructures of dams or hydropower facilities. The presented discussions may be viewed as a precursor to a quantum cybersecurity roadmap for the identification of relevant threats and mitigation.

97 MATHEMATICS AND COMPUTING↗

Gaia: An AI-enabled genomic context–aware platform for protein sequence annotation

Protein sequence similarity search is fundamental to biology research, but current methods are typically not able to consider crucial genomic context information indicative of protein function, especially in microbial systems. Here, we present Gaia (Genomic AI Annotator), a sequence annotation platform that enables rapid, context-aware protein sequence search across genomic datasets. Gaia leverages gLM2, a mixed-modality genomic language model trained on both amino acid sequences and their genomic neighborhoods to generate embeddings that integrate sequence-structure-context information. This approach allows for the identification of functionally and/or evolutionarily related genes that are found in conserved genomic contexts, which may be missed by traditional sequence- or structure-based search alone. Gaia enables real-time search of a curated database comprising more than 85 million protein clusters from 131,744 microbial genomes. We compare the homolog retrieval performance of Gaia search against other embedding and alignment-based approaches. We provide Gaia as a web-based, freely available tool.

Jha, Nishant↗

A complete grain-level assessment of the stress-strain evolution and associated deformation response in polycrystalline alloys

Polycrystalline alloys are used pervasively across structural applications contingent upon extensive experimental testing. A statistically representative number of tests are required to expose the variability in the material's performance, as a result of non-uniform microstructures and associated micromechanical fields. In a more direct means of capturing this pertinent information, multi-modal experimental techniques are presented to measure and track the complete micromechanical state, evolving during loading, of each and every grain within the regions of interest. Specifically, a combination of high-energy X-ray diffraction microscopy and digital image correlation coupled with electron backscatter diffraction are conducted on a specimen for each of the alloys, Haynes 282 and Ti7Al. The results of the multi-modal analysis definitively demonstrate that the degree of heterogeneity increases with deformation level and is used to assess the number of grains necessary for a representative volume element description of the stress state for each of these materials. Moreover, higher resolution imaging is used for identification of the slip system activity and subsequently used to study slip transmission events. An accurate knowledge of the resolved shear stress in adjacent grains (grain interactions) is demonstrated to be a key descriptor of the slip transmission events.

36 MATERIALS SCIENCE↗

Integrating N -glycan and CODEX imaging reveal cell-specific protein glycosylation in healthy human lung

Identifying cell-specific glycan structures in human lungs is critical for understanding the chemistry and mechanisms that guide cell–cell and cell–matrix interactions and determining nuanced functions of specific glycosylation. Our dual-modality omics platform, which uses matrix-assisted laser desorption/ionization (MALDI) mass spectrometry imaging (MSI) to profile glycan chemistry at 50 μm × 50 μm scale, combined with co-detection by indexing (CODEX) to provide cell identification from the exact same tissue section, is a significant step in this direction. It enabled us to detect, differentiate, and reveal chemical properties of N-glycans in the various cell types of a human lung, suggesting the cell-specific function of distinct carbohydrate moieties. This innovative technological combination bridges the gap between the specific protein glycosylation and their cellular origin, paving the way for targeted studies in the lungs and many other human tissues where glycans mediate cell–cell recognition events.

Veličković, Dušan [Pacific Northwest National Labo↗

Methods for rapid identification of anomalous layers in laser powder bed fusion

In situ process monitoring is a key requirement for increased industry acceptance of powder bed Additive Manufacturing. As sensing technologies increase in maturity, attention must also be given to effective data exploration techniques. These data are often high-resolution and multi-modal, with each build consisting of thousands of layers. Here, in this paper, the authors propose two methods enabling users to rapidly identify layers of interest within a build. Both methods leverage results from deep learning based segmentations of in situ powder bed images. The first method is an unsupervised “reverse layer search” algorithm while the second method uses supervised machine learning.

36 MATERIALS SCIENCE↗

The BRIAR Dataset: A Comprehensive Whole-Body Biometric Recognition Benchmark at Extreme Distances and Altitudes (Collections 1-6)

The Biometric Recognition and Identification at Altitude and Range (BRIAR) program aims to extend biometric capabilities into severe operational environments characterized by long ranges, atmospheric turbulence, and elevated viewpoints. This paper introduces the program’s two final government collections expanding activities, environments, viewpoints, distances, and modalities, and adding appearance and environmental stressors. We refine curation/evaluation and include sequestered subsets to support controlled assessments. These updates strengthen BRIAR as a comprehensive resource for whole-body, face, and gait recognition at altitude and range, while maintaining privacy-first practices.

Yoon, Rocky [ORNL] (ORCID:0009000491499165)↗

Phonon Olympics: Phonon property and lattice thermal conductivity benchmarking from open-source packages

Three widely used open-source packages for determining phonon properties and lattice thermal conductivities (ALAMODE, phono3py, and ShengBTE) are benchmarked by teams of expert users and the package developers. The phonons for Ge, RbBr, monolayer MoSe 2 , and AlN are modeled at zero temperature, and they scatter through three-phonon and phonon-isotope processes, with thermal conductivities obtained from the linearized Peierls–Boltzmann transport equation with input from density functional theory calculations. Over a wide range of temperatures, the thermal conductivities calculated by the teams fall within at most ±15% of their mean values for each of the four materials. The phonon frequencies, obtained from the harmonic force constants, do not show large differences between the calculations, indicating that the modal heat capacities and group velocities are not responsible for the thermal conductivity variations. It is the lifetimes associated with three-phonon scattering, obtained from the cubic force constants, that drive the variations. The many decisions required to calculate the cubic force constants (e.g., supercell size, atomic displacement, neighbor cutoff, and application of symmetries) make identification of the precise origin of the thermal conductivity variations challenging. The calculated thermal conductivities do not generally show agreement with experimental measurements, which is attributed to the limitations of the density functional theory calculations. Guidance for the development of best practices is provided, which will help to standardize protocols needed for building thermal conductivity databases. The results provide a baseline for future benchmarking of other packages and more advanced calculations.

McGaughey, Alan J. H. [Carnegie Mellon Univ., Pitt↗

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↗

Agnostic capture of pathogens for the detection and diagnostics of emerging threats

The continued emergence of pathogens, whether novel, re-emerging, or engineered, poses a persistent global biosecurity and public health challenge. Recent outbreaks, including COVID-19, Lassa fever, Marburg virus, mpox, and avian influenza, underscore the urgent need for robust systems that enable rapid surveillance, early diagnosis, and timely countermeasures before widespread human transmission occurs. In this article, we focus on early detection technologies and systematically evaluate current diagnostic and sensing modalities. We highlight sequencing and spectroscopy as two complementary approaches capable of providing broad, agnostic detection and rich biological insight. Our analysis emphasizes that scientific innovation alone is insufficient: effective preparedness also requires improved data curation, integration, and sharing to build AI-ready resources that accelerate future responses. We argue for coordinated advances in both technological capabilities and supporting infrastructure to enable the rapid identification and characterization of emerging pathogens and to fully leverage modern science against evolving infectious threats.

Environmental health↗

WHISPER: Wireless Home Identification and Sensing Platform for Energy Reduction

Many regions of the world benefit from heating, ventilating, and air-conditioning (HVAC) systems to provide productive, comfortable, and healthy indoor environments, which are enabled by automatic building controls. Due to climate change, population growth, and industrialization, HVAC use is globally on the rise. Unfortunately, these systems often operate in a continuous fashion without regard to actual human presence, leading to unnecessary energy consumption. As a result, the heating, ventilation, and cooling of unoccupied building spaces makes a substantial contribution to the harmful environmental impacts associated with carbon-based electric power generation, which is important to remedy. For our modern electric power system, transitioning to low-carbon renewable energy is facilitated by integration with distributed energy resources. Automatic engagement between the grid and consumers will be necessary to enable a clean yet stable electric grid, when integrating these variable and uncertain renewable energy sources. We present the WHISPER (Wireless Home Identification and Sensing Platform for Energy Reduction) system to address the energy and power demand triggered by human presence in homes. The presented system includes a maintenance-free and privacy-preserving human occupancy detection system wherein a local wireless network of battery-free environmental, acoustic energy, and image sensors are deployed to monitor homes, record empirical data for a range of monitored modalities, and transmit it to a base station. Several machine learning algorithms are implemented at the base station to infer human presence based on the received data, harnessing a hierarchical sensor fusion algorithm. Results from the prototype system demonstrate an accuracy in human presence detection in excess of 95%; ongoing commercialization efforts suggest approximately 99% accuracy. Using machine learning, WHISPER enables various applications based on its binary occupancy prediction, allowing situation-specific controls targeted at both personalized smart home and electric grid modernization opportunities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Towards Content Authenticity: Multimodal Fake News Detection and AI-Generated Text Identification

In today’s digital world, the spread of fake news and the rise of AI-generated text have become major threats to content authenticity and public trust. This thesis addresses both challenges through two complementary research directions: detecting fake news using multimodal features, and identifying AI-generated text using semantic and structural reasoning. The first part of the work focuses on fake news detection by introducing a novel model that combines text and image features through a unique rotational attention mechanism. Unlike traditional attention methods, this approach rotates the roles of query, key, and value across modalities to capture deeper interactions. Additionally, the model incorporates external domain information by linking news posts to top-ranked websites from Google search results, which helps assess the credibility of content based on its broader web context. This results in a more reliable and accurate fake news detection system that outperforms existing state-of-the-art methods. The second part presents SGG-ATD, a new framework for detecting AI-generated text. It uses masked language modeling to measure sentence coherence, followed by constructing a graph where keywords—both original and predicted—are connected based on semantic and contextual similarity. A Graph Convolutional Network (GCN) is then used to learn structural relationships within the text for final classification. Experimental results demonstrate that SGG-ATD achieves high F1-scores and consistently outperforms strong baselines. This method contributes to robust AI text detection, supporting accountability and resilience against AI-driven misinformation.

Gupta, Nidhi↗

A case study in contrastive learning information combination: Application to technical forensics of additive manufacturing filament source identification

Combination of information from disparate data sources into a single decision is a core challenge in many fields, including the field of technical forensics. Technical forensics (TF) utilizes technical characterization of questioned samples to determine properties of that sample; these properties are then used to infer information of forensic interest, such as provenance, age, or attribution. TF is utilized in traditional forensic applications, such as the attribution of material fragments from an explosive, and in nuclear forensic applications, such as the attribution of actinides which have been interdicted out of regulatory control. The challenge of combining information from disparate sources, described alternately by many terms including “Data Fusion” and “Data Integration”, is exacerbated in the technical forensics domain due to at least two factors: the challenge of interpreting each information source singularly, and the relatively small data set sizes available. Extensive literature exists attempting to combine technical forensics information sources, both in manual and automated processes. These attempts are often bespoke to the specific information sources (such as the bi-, tri-, or quad-isotope chart (Moody, Grant, and Hutcheon 2005)), with some emerging examples of simple early- and late- fusion (, respectively). Simultaneous to the information combination efforts described in the previous paragraph, the field of natural language processing attempted (and largely succeeded) in combining information from multiple non-technical information sources. The ecosystem of “multi-modal” language models, which can take text and images as input, and generate text and images as output, became large and diverse by 2025 (Khan et al. 2025). In a generalized sense, many of these methods are trained by learning neural networks which can convert raw text or images into a vector of numbers describing the text or image, hereafter called “embeddings” and the neural networks performing the conversion are called “embedders”. By using a separate embedder for text and images, finding coincident text and images (such as images with their captions), and optimizing the parameters of the embedders such that the embeddings for the text and the image are similar, the field has found a bridge between text and images (Girdhar et al. 2023). It is the contention of the authors of this report that this insight is not limited to text and images but instead can be extended to any modality which can be found coincidently. The subject of the rest of this report is the application of this method to example multi-modal technical forensic data. Some details about the data used in this report are not appropriate for this report, and are included in a companion report (PNNL-38669).

36 MATERIALS SCIENCE↗

Connecting Material Properties and Redox Flow Cell Cycling Performance through Zero-Dimensional Models

Improvements in redox flow battery (RFB) performance and durability can be achieved through the development of new active materials, electrolytes, and membranes. While a rich design space exists for emerging materials, complex tradeoffs challenge the articulation of unambiguous target criteria, as the relationships between component selection and cycling performance are multifaceted. Here, we derive zero-dimensional, analytical expressions for mass balances and cell voltages under galvanostatic cycling, enabling direct connections between material/electrolyte properties, cell operating conditions, and resulting performance metrics (e.g., energy efficiency, capacity fade). To demonstrate the utility of this modeling framework, we highlight several considerations for RFB design, including upper bound estimation, active species decay, and membrane/separator conductivity-selectivity tradeoffs. Furthermore, we also discuss modalities for extending this framework to incorporate kinetic losses, distributed ohmic losses, and multiple spatial domains. Importantly, because the mass balances are solved analytically, hundreds of cycles can be simulated in seconds, potentially facilitating detailed parametric sweeps, system optimization, and parameter estimation from cycling experiments. More broadly, this approach provides a means for assessing the impact of cell components that simultaneously influence multiple performance-defining processes, aiding in the elucidation of key descriptors and the identification of favorable materials combinations for specific applications.

25 ENERGY STORAGE↗

4D imaging of lithium-batteries using correlative neutron and X-ray tomography with a virtual unrolling technique

The temporally and spatially resolved tracking of lithium intercalation and electrode degradation processes are crucial for detecting and understanding performance losses during the operation of lithium-batteries. Here, high-throughput X-ray computed tomography has enabled the identification of mechanical degradation processes in a commercial Li/MnO 2 primary battery and the indirect tracking of lithium diffusion; furthermore, complementary neutron computed tomography has identified the direct lithium diffusion process and the electrode wetting by the electrolyte. Virtual electrode unrolling techniques provide a deeper view inside the electrode layers and are used to detect minor fluctuations which are difficult to observe using conventional three dimensional rendering tools. Moreover, the 'unrolling' provides a platform for correlating multi-modal image data which is expected to find wider application in battery science and engineering to study diverse effects e.g. electrode degradation or lithium diffusion blocking during battery cycling.

25 ENERGY STORAGE↗

Identifying Sample Provenance From SEM/EDS Automated Particle Analysis via Few-Shot Learning Coupled With Similarity Graph Clustering

Automated particle analysis (APA) provides a vast amount of compositional data via energy-dispersive X-ray spectroscopy along with size and shape data via scanning electron microscopy for individual particles in a sample. In many instances, APA data are leveraged to support identification of the source of a sample based on the detection of particles of a specific composition. Often, the particles that provide context make up a minuscule portion of the sample. Additionally, the interpretation of complex samples can be difficult due to the diversity of compositions both in the mixture and within a particle. In this work, we demonstrate a method to compute and cluster similarity graphs that describe inter-particle relationships within a sample using a multi-modal few-shot learning neural network. Here, as a proof-of-concept, we show that samples known to have been exposed to gunshot residue can be distinguished from samples occasionally mistaken for gunshot residue. Our workflow builds upon standard APA techniques and data processing methods to unveil additional information in a readily interpretable and quantitatively comparable format.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Integrated analysis of X-ray diffraction patterns and pair distribution functions for machine-learned phase identification

Abstract To bolster the accuracy of existing methods for automated phase identification from X-ray diffraction (XRD) patterns, we introduce a machine learning approach that uses a dual representation whereby XRD patterns are augmented with simulated pair distribution functions (PDFs). A convolutional neural network is trained directly on XRD patterns calculated using physics-informed data augmentation, which accounts for experimental artifacts such as lattice strain and crystallographic texture. A second network is trained on PDFs generated via Fourier transform of the augmented XRD patterns. At inference, these networks classify unknown samples by aggregating their predictions in a confidence-weighted sum. We show that such an integrated approach to phase identification provides enhanced accuracy by leveraging the benefits of each model’s input representation. Whereas networks trained on XRD patterns provide a reciprocal space representation and can effectively distinguish large diffraction peaks in multi-phase samples, networks trained on PDFs provide a real space representation and perform better when peaks with low intensity become important. These findings underscore the importance of using diverse input representations for machine learning models in materials science and point to new avenues for automating multi-modal characterization.

36 MATERIALS SCIENCE↗