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At least 541 records · Page 30

Architectural Dynamics of CaMKII-Actin Networks

Calcium-calmodulin-dependent kinase II (CaMKII) has an important role in dendritic spine remodeling upon synaptic stimulation. Using fluorescence video microscopy and image analysis, we investigated the architectural dynamics of rhodamine-phalloidin stabilized filamentous actin (F-actin) networks cross-linked by CaMKII. We used automated image analysis to identify F-actin bundles and crossover junctions and developed a dimensionless metric to characterize network architecture. Similar networks were formed by three different CaMKII species with a 10-fold length difference in the linker region between the kinase domain and holoenzyme hub, implying linker length is not a primary determinant of F-actin cross-linking. Electron micrographs showed that at physiological molar ratios, single CaMKII holoenzymes cross-linked multiple F-actin filaments at random, whereas at higher CaMKII/F-actin ratios, filaments bundled. Light microscopy established that the random network architecture resisted macromolecular crowding with polyethylene glycol and blocked ATP-powered compaction by myosin-II miniature filaments. Importantly, the networks disassembled after the addition of calcium-calmodulin and were then spaced within 3 min into compacted foci by myosin motors or more slowly (30 min) aggregated by crowding. Single-molecule total internal reflection fluorescence microscopy showed CaMKII dissociation from surface-immobilized globular actin exhibited a monoexponential dwell-time distribution, whereas CaMKII bound to F-actin networks had a long-lived fraction, trapped at crossover junctions. Release of CaMKII from F-actin, triggered by calcium-calmodulin, was too rapid to measure with flowcell exchange (<20 s). The residual bound fraction was reduced substantially upon addition of an N-methyl-D-aspartate receptor peptide analog but not ATP. These results provide mechanistic insights to CaMKII-actin interactions at the collective network and single-molecule level. Our findings argue that CaMKII-actin networks in dendritic spines maintain spine size against physical stress. Upon synaptic stimulation, CaMKII is disengaged by calcium-calmodulin, triggering network disassembly, expansion, and subsequent compaction by myosin motors with kinetics compatible with the times recorded for the poststimulus changes in spine volume.

59 BASIC BIOLOGICAL SCIENCES↗

Understanding and Analyzing Interconnect Errors and Network Congestion on a Large Scale HPC System

Today's High Performance Computing (HPC) systems are capable of delivering performance in the order of petaflops due to the fast computing devices, network interconnect, and back-end storage systems. In particular, interconnect resilience and congestion resolution methods have a major impact on the overall interconnect and application performance. This is especially true for scientific applications running multiple processes on different compute nodes as they rely on fast network messages to communicate and synchronize frequently. Unfortunately, the HPC community lacks state-of-practice experience reports that detail how different interconnect errors and congestion events occur on large-scale HPC systems. Therefore, in this paper, we process and analyze interconnect data of the Titan supercomputer to develop a thorough understanding of interconnects faults, errors and congestion events. We also study the interaction between interconnect, errors, network congestion and application characteristics.

Kumar, Mohit↗

GridSTIX

SF-25-112 Grid-STIX is a comprehensive extension of the STIX (Structured Threat Information Expression) 2.1 ontology specifically designed for electrical grid cybersecurity applications. This ontology provides a standardized, machine-readable framework for modeling grid assets, operational technology devices, threats, vulnerabilities, supply chain risks, and security relationships in electrical power systems. ## Key Features - **Comprehensive Grid Coverage**: Physical assets, OT devices, grid components, sensors, and energy storage systems - **Zero Trust Architecture**: Policy decision points, enforcement points, trust brokers, and continuous monitoring - **AMI Infrastructure**: Advanced metering networks, head-end systems, mesh gateways, and MDM systems - **Advanced Security Modeling**: Attack patterns, vulnerabilities, mitigations, and supply chain risks - **Critical Grid Relationships**: Power flow, protection, control, and synchronization relationships - **Supply Chain Security**: Supplier modeling, country of origin tracking, and risk assessment - **Protocol Support**: DNP3, Modbus, IEC 61850, IEC 60870-5-104, OPC-UA, and IEEE standards - **Python Code Generation**: Automated STIX-compliant Python class generation from ontologies - **Interactive Visualization**: Enhanced HTML network graphs with grid-specific categorization - **STIX 2.1 Compliance**: Full compatibility with STIX threat intelligence ecosystem

Blakely, Benjamin [Argonne National Laboratory (AN↗

Reducing model bias in a deep learning classifier using domain adversarial neural networks in the MINERvA experiment

We present a simulation-based study using deep convolutional neural networks (DCNNs) to identify neutrino interaction vertices in the MINERvA passive targets region, and illustrate the application of domain adversarial neural networks (DANNs) in this context. DANNs are designed to be trained in one domain (simulated data) but tested in a second domain (physics data) and utilize unlabeled data from the second domain so that during training only features which are unable to discriminate between the domains are promoted. MINERvA is a neutrino-nucleus scattering experiment using the NuMI beamline at Fermilab. A-dependent cross sections are an important part of the physics program, and these measurements require vertex finding in complicated events. To illustrate the impact of the DANN we used a modified set of simulation in place of physics data during the training of the DANN and then used the label of the modified simulation during the evaluation of the DANN. In conclusion, we find that deep learning based methods offer significant advantages over our prior track-based reconstruction for the task of vertex finding, and that DANNs are able to improve the performance of deep networks by leveraging available unlabeled data and by mitigating network performance degradation rooted in biases in the physics models used for training.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Engineering interactions for quasiperfect transfer of polariton states through nonideal bosonic networks of distinct topologies

We present a scheme for quasiperfect transfer of polariton states from a sender to a spatially separated receiver, both composed of high-quality cavities filled by atomic samples. The sender and the receiver are connected by a nonideal transmission channel --the data bus-- modelled by a network of lossy empty cavities. In particular, we analyze the influence of a large class of data-bus topologies on the fidelity and transfer time of the polariton state. Moreover, we also assume dispersive couplings between the polariton fields and the data-bus normal modes in order to achieve a tunneling-like state transfer. Such a tunneling-transfer mechanism, by which the excitation energy of the polariton effectively does not populate the data-bus cavities, is capable of attenuating appreciably the dissipative effects of the data-bus cavities. After deriving a Hamiltonian for the effective coupling between the sender and the receiver, we show that the decay rate of the fidelity is proportional to a cooperativity parameter that weighs the cost of the dissipation rate against the benefit of the effective coupling strength. The increase of the fidelity of the transfer process can be achieved at the expense of longer transfer times. We also show that the dependence of both the fidelity and the transfer time on the network topology is analyzed in detail for distinct regimes of parameters. It follows that the data-bus topology can be explored to control the time of the state-transfer process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Identifying Neutrino Final States and Energies in MicroBooNE with New Deep-Learning Based LArTPC Reconstruction Frameworks

MicroBooNE, a Liquid Argon Time Projection Chamber (LArTPC) located in the $\nu_{\mu}$-dominated Booster Neutrino Beam at Fermilab, has been studying $\nu_{e}$ charged-current (CC) interaction rates to shed light on the MiniBooNE low energy excess. The LArTPC technology employed by MicroBooNE provides the capability to image neutrino interactions with mm-scale precision. Computer vision and other machine learning techniques are promising tools for image processing that could boost efficiencies for selecting $\nu_{e}$-CC and other rare signals, reduce cosmic and beam-induced backgrounds, and improve the reconstruction of neutrino energies. The MicroBooNE experiment has been at the forefront of developing and testing such techniques for use in physics analyses. In this poster we overview deep-learning based reconstruction methods. We will showcase the use of a recurrent neural network to estimate neutrino energies and present a new reconstruction framework that uses convolutional neural networks to locate neutrino interaction vertices, tag pixels with track and shower labels, and perform particle identification on reconstructed clusters. We will present studies characterizing the performance of these new tools and demonstrate their effectiveness through their use in an inclusive $\nu_{e}$-CC event selection.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Identifying Neutrino Final States and Energies in MicroBooNE with New Deep-Learning Based LArTPC Reconstruction Frameworks

MicroBooNE, a Liquid Argon Time Projection Chamber (LArTPC) located in the $\nu_{\mu}$-dominated Booster Neutrino Beam at Fermilab, has been studying $\nu_{e}$ charged-current (CC) interaction rates to shed light on the MiniBooNE low energy excess. The LArTPC technology employed by MicroBooNE provides the capability to image neutrino interactions with mm-scale precision. Computer vision and other machine learning techniques are promising tools for image processing that could boost efficiencies for selecting $\nu_{e}$-CC and other rare signals, reduce cosmic and beam-induced backgrounds, and improve the reconstruction of neutrino energies. The MicroBooNE experiment has been at the forefront of developing and testing such techniques for use in physics analyses. In this poster we overview deep-learning based reconstruction methods. We will showcase the use of a recurrent neural network to estimate neutrino energies and present a new reconstruction framework that uses convolutional neural networks to locate neutrino interaction vertices, tag pixels with track and shower labels, and perform particle identification on reconstructed clusters. We will present studies characterizing the performance of these new tools and demonstrate their effectiveness through their use in an inclusive $\nu_{e}$-CC event selection.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Modeling swelling behavior of hydrogels in aqueous organic solvents

Hydrogel, a three-dimensional elastic structure of cross-linked polymer chains, swells or deswells when immersed in aqueous organic solutions. The swelling of hydrogels depends on temperature, solvent composition, and hydrogel structure as the thermodynamic driving forces for hydrogel swelling are due to solvent – hydrogel interactions and expansion of elastic network. Here in this work, polymer Nonrandom Two-Liquid activity coefficient model is used to account for the solvent – hydrogel interactions and a semi-empirical expression for rubber elasticity is used to describe the expansion of elastic network. The model successfully correlates data for both swelling and equilibrium phase compositions for n-isopropyl acrylamide hydrogels in water – ethanol, water – acetone, water – n-butanol, and water – methyl isobutyl ketone mixed solvents.

42 ENGINEERING↗

Homophilic Adhesion Mechanism of Neurofascin, a Member of the L1 Family of Neural Cell Adhesion Molecules

The L1 family neural cell adhesion molecules play key roles in specifying the formation and remodeling of the neural network, but their homophilic interaction that mediates adhesion is not well understood. We report two crystal structures of a dimeric form of the headpiece of neurofascin, an L1 family member. The four N-terminal Ig-like domains of neurofascin form a horseshoe shape, akin to several other immunoglobulin superfamily cell adhesion molecules such as hemolin, axonin, and Dscam. The neurofascin dimer, captured in two crystal forms with independent packing patterns, reveals a pair of horseshoes in trans-synaptic adhesion mode. The adhesion interaction is mediated mostly by the second Ig-like domain, which features an intermolecular {beta}-sheet formed by the joining of two individual GFC {beta}-sheets and a large but loosely packed hydrophobic cluster. Mutagenesis combined with gel filtration assays suggested that the side chain hydrogen bonds at the intermolecular {beta}-sheet are essential for the homophilic interaction and that the residues at the hydrophobic cluster play supplementary roles. Our structures reveal a conserved homophilic adhesion mode for the L1 family and also shed light on how the pathological mutations of L1 affect its structure and function.

08 HYDROGEN↗

Monitoring Extreme-scale Lustre Toolkit

We discuss the design and ongoing development of the Monitoring Extreme-scale Lustre Toolkit (MELT), a unified Lustre performance monitoring and analysis infrastructure that provides continuous, low-overhead summary information on the health and performance of Lustre, as well as on-demand, in-depth problem diagnosis and root-cause analysis. The MELT infrastructure leverages a distributed overlay network to enable monitoring of center-wide Lustre filesystems where clients are located across many network domains. We preview interactive command-line utilities that help administrators and users to observe Lustre performance at various levels of resolution, from individual servers or clients to whole filesystems, including job-level reporting. Finally, we discuss our future plans for automating the root-cause analysis of common Lustre performance problems.

97 MATHEMATICS AND COMPUTING↗

Topological Relationship–Based Flow Direction Modeling: Mesh–Independent River Networks Representation

River networks are important features in surface hydrology. However, accurately representing river networks in spatially distributed hydrologic and Earth system models is often sensitive to the model's spatial resolution. Specifically, river networks are often misrepresented because of the mismatch between the model's spatial resolution and river network details, resulting in significant uncertainty in the projected flow direction. In this study, we developed a topological relationship-based river network representation method for spatially distributed hydrologic models. This novel method uses (a) graph theory algorithms to simplify real-world vector-based river networks and assist in mesh generation; and (b) a topological relationship-based method to reconstruct conceptual river networks. The main advantages of our method are that (a) it combines the strengths of vector-based and DEM raster-based river network extraction methods; and (b) it is mesh-independent and can be applied to both structured and unstructured meshes. This method paves a path for advanced terrain analysis and hydrologic modeling across different scales.

54 ENVIRONMENTAL SCIENCES↗

Variational neural network approach to QFT in the field basis

We present a variational neural network approach for solving quantum field theories in the field basis, focusing on the free Klein-Gordon model formulated in momentum space. While recent studies have explored neural-network-based variational methods for scalar field theory in position space, a systematic benchmark of the analytically solvable Klein-Gordon ground state—particularly in the momentum-space field basis—has been lacking. In this work, we represent the ground-state wavefunctional as a neural network defined on a discretized set of field configurations and train it by minimizing the Hamiltonian expectation value. This framework enables direct comparison to exact analytic results for a range of key observables, including the ground-state energy, two-point correlators, expectation value of the field, and the structure of the learned wavefunctional itself. Our results provide quantitative diagnostics of accuracy and establish a validated foundation for extending neural-network wavefunctional methods to interacting field theories and position-space formulations.

Klein-Gordon model↗

Influence of diluent concentration in localized high concentration electrolytes: elucidation of hidden diluent-Li + interactions and Li + transport mechanism

Localized high concentration electrolytes (LHCE) offer a viable dilution strategy for high concentration electrolytes (HCE) as the dilution process barely impacts the enhanced reductive/oxidative behavior of the HCE formulation but significantly lowers the overall viscosity and, in most cases, increases the ionic conductivity. On the other hand, experimental studies indicate that fluorinated ether electrolytes such as 1,1,2,2-tetrafluoroethylene 2,2,3,3-tetrafluoropropyl ether (TTE) help grow enhanced passivation layers on Ni-rich NMC cathodes. In this work, we study LHCE formulations based on lithium bis(fluorosulfonyl)imide (LiFSI), dimethyl carbonate (DMC), and TTE as the diluent. Here we use molecular dynamics methodologies, and Raman spectra measurements, to address to what extent the diluent content impacts the coordination behavior of the aggregated structures in the electrolyte and to evaluate the Li + transport properties under the influence of an external electric field. In contrast to other fluorinated ethers, we find that TTE interacts with Li + via fluorine atoms, partially limiting the DMC–Li + interactions hence altering the Li + solvation coordination. This competitive interaction with Li+ between the organic solvent and the TTE diluent influences the electrolyte's reductive/oxidative behavior. Nevertheless, the bonding strength of the Li + –F TTE is much weaker than those of the Li + –O DMC and Li + –OFSI – . Therefore, the existence of Li + –F TTE is in a transient state rather than in a steady state. These results provide plausible guiding rules for future dilution strategies of HCE electrolytes. We also demonstrate that Li + ions drift under the electric field's influence via repeated ion dissociation/association processes following a hopping conduction mechanism. Li + ions jump between aggregated networks where Li–O interactions dominate via diluent-enriched phases, a process in which the solvation shells temporarily mutate to a Li–F dominated coordination structure. We expect our results to contribute an improved atomic-level understanding of the solvation structure and dynamics of LHCE electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Generalized Canonical Polyadic Tensor Decomposition

Tensor decomposition is a fundamental unsupervised machine learning method in data science, with applications including network analysis and sensor data processing. This work develops a generalized canonical polyadic (GCP) low-rank tensor decomposition that allows other loss functions besides squared error. For instance, we can use logistic loss or Kullback--Leibler divergence, enabling tensor decomposition for binary or count data. We present a variety of statistically motivated loss functions for various scenarios. We provide a generalized framework for computing gradients and handling missing data that enables the use of standard optimization methods for fitting the model. Furthermore, we demonstrate the flexibility of the GCP decomposition on several real-world examples including interactions in a social network, neural activity in a mouse, and monthly rainfall measurements in India.

97 MATHEMATICS AND COMPUTING↗

Serial Network Flow Monitor

Using a commercial software CD and minimal up-mass, SNFM monitors the Payload local area network (LAN) to analyze and troubleshoot LAN data traffic. Validating LAN traffic models may allow for faster and more reliable computer networks to sustain systems and science on future space missions. Research Summary: This experiment studies the function of the computer network onboard the ISS. On-orbit packet statistics are captured and used to validate ground based medium rate data link models and enhance the way that the local area network (LAN) is monitored. This information will allow monitoring and improvement in the data transfer capabilities of on-orbit computer networks. The Serial Network Flow Monitor (SNFM) experiment attempts to characterize the network equivalent of traffic jams on board ISS. The SNFM team is able to specifically target historical problem areas including the SAMS (Space Acceleration Measurement System) communication issues, data transmissions from the ISS to the ground teams, and multiple users on the network at the same time. By looking at how various users interact with each other on the network, conflicts can be identified and work can begin on solutions. SNFM is comprised of a commercial off the shelf software package that monitors packet traffic through the payload Ethernet LANs (local area networks) on board ISS.

Robinson, Julie A.↗

Vertex finding in neutrino-nucleus interaction: a model architecture comparison

We compare different neural network architectures for machine learning algorithms designed to identify the neutrino interaction vertex position in the MINERvA detector. The architectures developed and optimized by hand are compared with the architectures developed in an automated way using the package “Multi-node Evolutionary Neural Networks for Deep Learning” (MENNDL), developed at Oak Ridge National Laboratory. While the domain-expert hand-tuned network was the best performer, the differences were negligible and the auto-generated networks performed as well. There is always a trade-off between human, and computer resources for network optimization and this work suggests that automated optimization, assuming resources are available, provides a compelling way to save significant expert time.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The state of rhizospheric science in the era of multi-omics: A practical guide to omics technologies

Over the past century, the significance of the rhizosphere as a complex, biological system, comprised of vast, interconnected networks of microbial organisms that interact directly with their plant hosts (e.g., archæa, bacteria, fungi, eukaryotes, and viruses) has been increasingly recognized by the scientific community. Providing a nutritional base to the terrestrial biosphere, the rhizosphere is integral to plant growth, crop production and ecosystem health. Lack of mechanistic understanding of the rhizosphere constitutes a critical knowledge gap, inhibiting our ability to predict and control the terrestrial ecosystem in order to achieve desirable outcomes (e.g., bioenergy production, crop yield maximization, and soilbased carbon sequestration). Application of multi-omics has the potential to significantly advance our knowledge of rhizospheric science. This review covers: cutting- and bleeding-edge, multi-omic techniques and technologies; methods and protocols for specific rhizospheric science questions; and, challenges to be addressed during this century of rhizospheric science.

multi-omics↗

Unraveling Network-induced Memory Contention: Deeper Insights with Machine Learning

Remote Direct Memory Access (RDMA) is expected to be an integral communication mechanism for future exascale systems enabling asynchronous data transfers, so that applications may fully utilize CPU resources while simultaneously sharing data amongst remote nodes. We examine Network-induced Memory Contention (NiMC) on Infiniband networks. We expose the interactions between RDMA, main-memory and cache, when applications and out-of-band services compete for memory resources. We then explore NiMCs resulting impact on application-level performance. For a range of hardware technologies and HPC workloads, we quantify NiMC and show that NiMCs impact grows with scale resulting in up to 3X performance degradation at scales as small as 8K processes even in applications that previously have been shown to be performance resilient in the presence of noise. In addition, this work examines the problem of predicting NiMC's impact on applications by leveraging machine learning and easily accessible performance counters. This approach provides additional insights about the root cause of NiMC and facilitates dynamic selection of potential solutions. Finally, we evaluated three potential techniques to reduce NiMCs impact, namely hardware offloading, core reservation and network throttling.

97 MATHEMATICS AND COMPUTING↗