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At least 1,171 records · Page 65

Oestrogen regulates SOX9 bioavailability by rapidly activating ERK1/2 and stabilising microtubules in a human testis-derived cell line

Highlights: • Brief oestrogen treatment causes the cytoplasmic retention of the testis factor SOX9. • The cytoplasmic retention of SOX9 by oestrogen is associated with the rapid stabilisation of microtubules. • ERK1/2 is required for the stabilisation of microtubules by activated oestrogen receptors. • Oestrogen can act on both a non-genomic and genomic level to impact gonad somatic cell fate. Nuclear SOX9 is essential for Sertoli cell differentiation and the development of a testis. Exposure of Sertoli cells to exogenous oestrogen causes cytoplasmic retention of SOX9, inhibiting testis development and promoting ovarian development. The cytoplasmic localisation of SOX9 requires a stabilised microtubule network and a key MAPK complex, ERK1/2, is responsive to oestrogen and known to affect the microtubule network. We hypothesised that oestrogen could stabilise microtubules through the activation of ERK1/2 to promote the cytoplasmic retention of SOX9. Treatment of human testis-derived NT2/D1 cells for 30 min with oestrogen rapidly activated ERK1/2, stabilised the microtubule network and increased cytoplasmic localisation of SOX9. The effects of oestrogen on SOX9 and tubulin were blocked by the ERK1/2 inhibitor U0126, demonstrating that ERK1/2 mediates the stabilisation of microtubules and cytoplasmic retention of SOX9 by oestrogen. Together, these data revealed a previously unknown mechanism for oestrogen in impacting MAPK signalling to block SOX9 bioavailability and the differentiation of Sertoli cells.

60 APPLIED LIFE SCIENCES↗

Materials representation and transfer learning for multi-property prediction

The adoption of machine learning in materials science has rapidly transformed materials property prediction. Hurdles limiting full capitalization of recent advancements in machine learning include the limited development of methods to learn the underlying interactions of multiple elements as well as the relationships among multiple properties to facilitate property prediction in new composition spaces. To address these issues, we introduce the Hierarchical Correlation Learning for Multi-property Prediction (H-CLMP) framework that seamlessly integrates: (i) prediction using only a material's composition, (ii) learning and exploitation of correlations among target properties in multi-target regression, and (iii) leveraging training data from tangential domains via generative transfer learning. The model is demonstrated for prediction of spectral optical absorption of complex metal oxides spanning 69 three-cation metal oxide composition spaces. H-CLMP accurately predicts non-linear composition-property relationships in composition spaces for which no training data are available, which broadens the purview of machine learning to the discovery of materials with exceptional properties. This achievement results from the principled integration of latent embedding learning, property correlation learning, generative transfer learning, and attention models. The best performance is obtained using H-CLMP with transfer learning [H-CLMP(T)] wherein a generative adversarial network is trained on computational density of states data and deployed in the target domain to augment prediction of optical absorption from composition. H-CLMP(T) aggregates multiple knowledge sources with a framework that is well suited for multi-target regression across the physical sciences.

36 MATERIALS SCIENCE↗

How an Autonomous Offshore Power System Can Transform the Ocean Economy - A Hypothetical Case Study Utilizing an Autonomous Offshore Power System in Northern Lights Carbon Capture and Storage Project

An Autonomous Offshore Power System (AOPS) provides in-situ power, energy storage, real-time data and communications support, asset management, and other capabilities at sea. It has applications for all offshore industries: energy, defense and security, aquaculture, science and research, and communications. Furthermore, this paper highlights how an AOPS can reduce cost, complexity, and carbon-intensity for existing offshore operations and enable new capabilities for offshore industry leaders. This new AOPS technology has two primary advantages. First, it unlocks the autonomous, electric future of the ocean economy via ‘local’ power generation and energy storage, in addition to real-time connection to the data cloud. Second, it helps enable a material change in the global energy mix through cost-effective, reliable generation and storage technology for use cases including mobile/static data-gathering and reporting systems, operating equipment, and charging networks for uncrewed surface vessels. AOPS technology will help transform the ocean economy, and thus has implications for offshore industry leaders as they push to reduce costs today and make an autonomous and decarbonized future possible.

16 TIDAL AND WAVE POWER↗

Geostationary Meteorological Satellite-5 (GMS-5)

The Geostationary Meteorological Satellite (GMS-5), which is being developed by the National Space Development Agency of Japan (NASDA), is the fifth geostationary, spin stabilized, weather satellite. Its purposes are to observe cataclysmic events such as hurricanes, typhoons, and regional weather phenomena; to relay meteorological data from surface collection points to the Data Processing Center in Japan; and to transmit processing imaging data for facsimile reproduction. The satellite will be launched from the Tanegashima Space Center (TaSC) in Japan by a type H-II launch vehicle. The Deep Space Network (DSN) will support the transfer and drift orbit mission phases. The coverage will consist of the 26-m antennas as prime and the 34-m antenna at Madrid as backup support for launch through drift orbit. Maximum support will consist of two 8-hour tracks per station for a seven day period, plus 23 days of contingency support from all complexes. Information is given in tabular form for DSN support, frequency assignments, telemetry, command and tracking station responsibility.

Horii, M.↗

Deciphering the Cofilin Oligomers via Intermolecular Disulfide Bond Formation: A Coarse-Grained Molecular Dynamics Approach to Understanding Cofilin’s Regulation on Actin Filaments

Cofilin, a key actin-binding protein, orchestrates the dynamics of the actomyosin network through its actin-severing activity and by promoting the recycling of actin monomers. Recent experimental work suggests that cofilin also forms functionally distinct oligomers through thiol post-translational modification (PTM) that encourages actin nucleation and assembly. Despite these advances, the structural conformations of cofilin oligomers that modulate actin activity remain elusive because there are combinatorial ways to oxidize thiols in cysteines to form disulfide bonds rapidly. This study employs molecular dynamics simulations to investigate human cofilin 1 as a case study for exploring cofilin dimers via disulfide bond formation. Using the free energy profiling, our simulations unveil a range of probable cofilin dimer structures not represented in current Protein Data Bank entries. These candidate dimers are characterized by their distinct population distributions and relative free energies. Of particular note is a dimer featuring an interface between cysteines 139 and 147 residues, which demonstrates stable free energy characteristics and intriguingly symmetrical geometry. In contrast, the experimentally proposed dimer structure exhibits a less stable free energy profile. Here, we also evaluate frustration quantification based on the energy landscape theory in the protein-protein interactions at the dimer interfaces. Notably, the 39-39 dimer configuration emerges as a promising candidate for forming cofilin tetramers, as substantiated by frustration analysis. Additionally, docking simulations with actin filaments further evaluate the stability of these cofilin dimer-actin complexes. Our findings thus offer a computational framework for understanding the role of thiol post-translational modification cofilin proteins in regulating oligomerization, and the subsequent cofilin-mediated actin dynamics in the actomyosin network.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Active and Transfer Learning of High-Dimensional Neural Network Potentials for Transition Metals

Classical molecular dynamics (MD) simulations represent a very popular and powerful tool for materials modeling and design. The predictive power of MD hinges on the ability of the interatomic potential to capture the underlying physics and chemistry. There have been decades of seminal work on developing interatomic potentials, albeit with a focus predominantly on capturing the properties of bulk materials. Such physics-based models, while extensively deployed for predicting the dynamics and properties of nanoscale systems over the past two decades, tend to perform poorly in predicting nanoscale potential energy surfaces (PESs) when compared to high-fidelity first-principles calculations. These limitations stem from the lack of flexibility in such models, which rely on a predefined functional form. Machine learning (ML) models and approaches have emerged as a viable alternative to capture the diverse size-dependent cluster geometries, nanoscale dynamics, and the complex nanoscale PESs, without sacrificing the bulk properties. Here, in this study, we introduce an ML workflow that combines transfer and active learning strategies to develop high-dimensional neural networks (NNs) for capturing the cluster and bulk properties for several different transition metals with applications in catalysis, microelectronics, and energy storage, to name a few. Our NN first learns the bulk PES from the high-quality physics-based models in literature and subsequently augments this learning via retraining with a higher-fidelity first-principles training data set to concurrently capture both the nanoscale and bulk PES. Our workflow departs from status-quo in its ability to learn from a sparsely sampled data set that nonetheless covers a diverse range of cluster configurations from near-equilibrium to highly nonequilibrium as well as learning strategies that iteratively improve the fingerprinting depending on model fidelity. All the developed models are rigorously tested against an extensive first-principles data set of energies and forces of cluster configurations as well as several properties of bulk configurations for 10 different transition metals. Our approach is material agnostic and provides a methodology to transfer and build upon the learnings from decades of seminal work in molecular simulations on to a new generation of ML-trained potentials to accelerate materials discovery and design.

36 MATERIALS SCIENCE↗

Designing an Optimal Sensor Network via Minimizing Information Loss

Optimal experimental design is a classic topic in statistics, with many well-studied problems, applications, and solutions. The design problem we study is the placement of sensors to monitor spatiotemporal processes, explicitly accounting for the temporal dimension in our modeling and optimization. We observe that recent advancements in computational sciences often yield large datasets based on physics-based simulations, which are rarely leveraged in experimental design. We introduce a novel model-based sensor placement criterion, along with a highly-efficient optimization algorithm, which integrates physics-based simulations and Bayesian experimental design principles to identify sensor networks that “minimize information loss” from simulated data. Our technique relies on sparse variational inference and (separable) Gauss-Markov priors, and thus may adapt many techniques from Bayesian experimental design. We validate our method through a case study monitoring air temperature in Phoenix, Arizona, using state-of-the-art physics-based simulations. Our results show our framework to be superior to random or quasi-random sampling, particularly with a limited number of sensors. We conclude by discussing practical considerations and implications of our framework, including more complex modeling tools and real-world deployments.

54 ENVIRONMENTAL SCIENCES↗

Privacy-Preserving Real-Time Action Detection in Intelligent Vehicles Using Federated Learning-Based Temporal Recurrent Network

This study introduces a privacy-preserving approach for the real-time action detection in intelligent vehicles using a federated learning (FL)-based temporal recurrent network (TRN). This approach enables edge devices to independently train models, enhancing data privacy and scalability by eliminating central data consolidation. Our FL-based TRN effectively captures temporal dependencies, anticipating future actions with high precision. Extensive testing on the Honda HDD and TVSeries datasets demonstrated robust performance in centralized and decentralized settings, with competitive mean average precision (mAP) scores. The experimental results highlighted that our FL-based TRN achieved an mAP of 40.0% in decentralized settings, closely matching the 40.1% in centralized configurations. Notably, the model excelled in detecting complex driving maneuvers, with mAPs of 80.7% for intersection passing and 78.1% for right turns. These outcomes affirm the model’s accuracy in action localization and identification. The system showed significant scalability and adaptability, maintaining robust performance across increased client device counts. The integration of a temporal decoder enabled predictions of future actions up to 2 s ahead, enhancing the responsiveness. Our research advances intelligent vehicle technology, promoting safety and efficiency while maintaining strict privacy standards.

33 ADVANCED PROPULSION SYSTEMS↗

An experimental paradigm for team decision processes

The study of distributed information processing and decision making is presently hampered by two factors: (1) The inherent complexity of the mathematical formulation of decentralized problems has prevented the development of models that could be used to predict performance in a distributed environment; and (2) The lack of comprehensive scientific empirical data on human team decision making has hindered the development of significant descriptive models. As a part of a comprehensive effort to find a new framework for multihuman decision making problems, a novel experimental research paradigm was developed involving human terms in decision making tasks. Attempts to construct parts of an integrated model with ideas from queueing networks, team theory, distributed estimation and decentralized resource management are described.

Serfaty, D.↗

Remote Earth Sciences data collection using ACTS

Given the focus on global change and the attendant scope of such research, we anticipate significant growth of requirements for investigator interaction, processing system capabilities, and availability of data sets. The increased complexity of global processes requires interdisciplinary teams to address them; the investigators will need to interact on a regular basis; however, it is unlikely that a single institution will house sufficient investigators with the required breadth of skills. The complexity of the computations may also require resources beyond those located within a single institution; this lack of sufficient computational resources leads to a distributed system located at geographically dispersed institutions. Finally the combination of long term data sets like the Pathfinder datasets and the data to be gathered by new generations of satellites such as SeaWiFS and MODIS-N yield extra-ordinarily large amounts of data. All of these factors combine to increase demands on the communications facilities available; the demands are generating requirements for highly flexible, high capacity networks. We have been examining the applicability of the Advanced Communications Technology Satellite (ACTS) to address the scientific, computational, and, primarily, communications questions resulting from global change research. As part of this effort three scenarios for oceanographic use of ACTS have been developed; a full discussion of this is contained in Appendix B.

Evans, Robert H.↗

Control-Theory-Informed Feature Selection for Detecting Malicious Tampering in Additive Layer Manufacturing Processes

Additive layer manufacturing (ALM) is rapidly becoming an appealing solution to the low-volume manufacturing of metal, polymer, or composite parts. However, ALM’s reliance on digital part specifications, microcontrollers, and modern networking makes these devices vulnerable to malicious tampering by cyber attackers, which can negatively affect part performance and even result in catastrophic failure. We present a hybrid analytic approach to feature discovery using control theoretic techniques and linear modelling on input-output data collected from a representative controller system. Employing this approach, we design, train, and test an anomaly detection system. The preliminary results show that the proposed approach effectively discovers useful input-output relationships for anomaly detection in a simulated ALM process. Application to larger and more complex systems are discussed.

Dawson, Joel↗

Improving Cyber Situational Understanding

Effective cybersecurity operations require the ability to analyze large amounts of information to assess security risks and formulate defensive strategies against adversaries. This has become more complex in recent years as the sprawl and interconnectivity of devices grows through implementation of virtualization, cloud computing, and Internet of Things (IoT). The amount of data and analysis required for effective cybersecurity command and control decisions far exceeds humans’ capacity to perform manually. We characterize the analysis problem as cyber situational understanding. The research presented to improve cyber situational understanding focuses on vulnerability analysis and threat intelligence. Regarding vulnerabilities, entities must analyze and plan work for between thousands and tens of thousands of software vulnerabilities annually. Entities heavily use network firewalls to limit vulnerability exposure. As a result, some of these vulnerabilities permit exposure to adversarial exploitation, whereas others are inaccessible and therefore present negligible risk of exploitation. Distinguishing between high and low risk software vulnerabilities requires a deep understanding of the vulnerability, network firewall protection, and characteristics of the targeted device. This problem is solved by extracting network service features from vulnerability data features using both machine-learning and natural language processing. Then, the network firewall topology is parsed to determine which vulnerabilities are reachable by adversaries. Ultimately, a state-based safety analysis ascertains which vulnerabilities are unsafe. A related vulnerability analysis problem occurs in cybersecurity operations when associating an entity’s hardware and software assets to public vulnerability databases. Assets often reveal hardware and software through installation artifacts and network service identification, and entities store these artifacts in inventory databases. However, software and hardware vendors apply a standard Common Platform Enumeration (CPE) naming convention when publicly reporting vulnerabilities. Associating these two datasets often requires many hours to days of manual inspection. The proposed solution automates the mapping approach of human analysts using fuzzy matching techniques, natural language processing, and, ultimately, machine learning to present a small set of recommendations for mapping the two datasets. The result significantly reduces human analysis time and reduces the occurrence of false positives in vulnerability notifications. Finally, cyber threat intelligence (CTI) requires associating cyber observable artifacts, such as IP addresses, URIs, and file hashes, with cyber threat tactics, techniques, and procedures. Unfortunately, most CTI data is compartmentalized across multiple organizations and cannot be shared due to the legal and reputational risk with cyber threat being associated with the entity. The approach to solving this problem inovlves using a distributed ledger with anonymous token spending and authentication. This allows a consortium of semi-trusted entities to share the workload of curating CTI for a threat sharing community’s cooperative benefit.

Huff, Philip↗

Attentional Ptycho-Tomography (APT) for three-dimensional nanoscale X-ray imaging with minimal data acquisition and computation time

Abstract Noninvasive X-ray imaging of nanoscale three-dimensional objects, such as integrated circuits (ICs), generally requires two types of scanning: ptychographic, which is translational and returns estimates of the complex electromagnetic field through the IC; combined with a tomographic scan, which collects these complex field projections from multiple angles. Here, we present Attentional Ptycho-Tomography (APT), an approach to drastically reduce the amount of angular scanning, and thus the total acquisition time. APT is machine learning-based, utilizing axial self-Attention for Ptycho-Tomographic reconstruction. APT is trained to obtain accurate reconstructions of the ICs, despite the incompleteness of the measurements. The training process includes regularizing priors in the form of typical patterns found in IC interiors, and the physics of X-ray propagation through the IC. We show that APT with ×12 reduced angles achieves fidelity comparable to the gold standard Simultaneous Algebraic Reconstruction Technique (SART) with the original set of angles. When using the same set of reduced angles, then APT also outperforms Filtered Back Projection (FBP), Simultaneous Iterative Reconstruction Technique (SIRT) and SART. The time needed to compute the reconstruction is also reduced, because the trained neural network is a forward operation, unlike the iterative nature of these alternatives. Our experiments show that, without loss in quality, for a 4.48 × 93.2 × 3.92 µm 3 IC (≃6 × 10 8 voxels), APT reduces the total data acquisition and computation time from 67.96 h to 38 min. We expect our physics-assisted and attention-utilizing machine learning framework to be applicable to other branches of nanoscale imaging, including materials science and biological imaging.

47 OTHER INSTRUMENTATION↗

Attention-based 3D – convolutional neural network model for mechanical property predictions using visible light images in metal additive manufacturing

Additive manufacturing (AM), while commonly used for rapid prototyping and creating components with complex geometries, has not been widely adopted for critical applications across the aerospace, automotive, defense, energy, and medical industries. This is, in part, due to the challenges of controlling flaws and uncertainty in the mechanical behavior of additively manufactured components. In recent years, there has been an increase in research aimed at predicting the final mechanical properties of additively manufactured components during the printing process. To address these issues, a 3D-CNN model was trained using low-cost in situ visible-light camera data, anomaly classifications, and the chosen process parameters to predict the ultimate tensile strength (UTS), yield strength (YS), total elongation (TE), and uniform elongation (UE). The 3D-CNN layers of the model employed attention mechanisms to prioritize features in the data, thereby improving prediction accuracy. Furthermore, the effect of each process parameter and anomaly class is investigated using attention-based dynamic sigmoid weighted gates to interpret the influence each class has on the final prediction. Different combinations of the in situ data were fed into the 3D-CNN, with varying amounts of image layers, to determine the ideal combination for predicting mechanical properties in situ. Here, the 3D-CNN model achieved mean absolute percentage errors (MAPE) below 5% for both UTS and YS while using only a single camera input and under half of the available image layers.

36 MATERIALS SCIENCE↗

Data-driven prediction of the output composition of an atmospheric pressure plasma jet

Cold atmospheric plasma (CAP) in open air hosts numerous chemical species engaged in thousands of chemical reactions. Comprehensive diagnosis of its chemical composition is important across various fields from medicine, where reactive oxygen and nitrogen play key roles, to surface modification. In applications, a centimeter-scale helium–air jet operates for minutes, featuring micrometer-sized streamers and an atmospheric pressure-induced collision frequency in the hundreds of GHz range. To address this intricate multi-scale issue, we introduce a machine learning approach: using a physics-informed neural network (PINN) to tackle the multi-scale complexities inherent in predicting the complete list of species concentrations, gas temperature, and electron temperature of a CAP jet supplied with a mixture of helium and air. Experimental measurements of O 3 , N 2 O, and NO 2 concentrations downstream of the plasma jet, combined with fundamental physics laws, the conservation of mass and charge, constrain the PINN, enabling it to predict the concentrations of all species that are not available from the experiment, along with gas and electron temperatures. The results, therefore, obey all the physical laws we provided and can have a chemical balance with the measured concentrations. In conclusion, this methodology holds promise for describing and potentially regulating complex systems with limited experimental datasets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

EPiC-GAN: Equivariant point cloud generation for particle jets

With the vast data-collecting capabilities of current and future high-energy collider experiments, there is an increasing demand for computationally efficient simulations. Generative machine learning models enable fast event generation, yet so far these approaches are largely constrained to fixed data structures and rigid detector geometries. In this paper, we introduce EPiC-GAN - equivariant point cloud generative adversarial network - which can produce point clouds of variable multiplicity. This flexible framework is based on deep sets and is well suited for simulating sprays of particles called jets. The generator and discriminator utilize multiple EPiC layers with an interpretable global latent vector. Crucially, the EPiC layers do not rely on pairwise information sharing between particles, which leads to a significant speed-up over graph- and transformer-based approaches with more complex relation diagrams. We demonstrate that EPiC-GAN scales well to large particle multiplicities and achieves high generation fidelity on benchmark jet generation tasks.

Buhmann, Erik↗

(ODIN): An Open Source, Low-Latency Data Integration & Visualization Framework for the NASA System Wide Safety Project's Disaster Response Safety Demonstration Series

The Open Data Integration Framework (ODIN) is an open source, low latency data integration and visualization framework (https://github.com/NASARace/race-odin) developed under NASA’s System WideSafety Program to demonstrate new safety capabilities designed to improve US airspace operations. Safety demonstrations are a set of increasingly complex (from public safety perspective) disaster response scenarios under which air systems must operate with increased capacity and include: 1) Wildland fire response, 2) Hurricane relief and recovery, 4) Emergency medical delivery via UAS and 4) Urban disaster relief. To accommodate disaster response, ODIN is field deployable and can scale on one or more multi-core, commodity laptops operating with full to limited or intermittent internet connectivity, conditions likely encountered during operations. ODIN runs as webserver with local, persistent data storage to serve either public or a secured, ad hoc network (e.g., an incident command post). The current released ODIN, ODIN-Fire is tailored for wildland fire management incorporating information on satellite overpasses with links to the near real-time data and imagery from the respective agencies. Included are winds data, an important variable for emergency responders and airspace operations, and high-resolution wind forecasts generated by super-computing resources and ingested into ODIN. As an open-source project, ODIN has attracted interest from multiple entities. We will show how 1) a commercial field instrument and data provider uses ODIN to help users visualize, publish and integrate their in-situ sensor network data and 2) ODIN’s capabilities to ingest, integrate and display near-real time satellite data with air traffic and a USFS winds forecast model used in fire response and post-fire assessment. Within NASA ODIN demonstrated novel, near terminal airspace safety capabilities for a project close-out event and previously it monitored the national airspace in real-time to meet an agency milestone. ODIN is presently under development for the anticipated hurricane relief and response demonstration notionally scheduled for the 2025-27 time frame and is available from NASA's github at the above link.

Aeronautics↗

Attention for Causal Relationship Discovery from Biological Neural Dynamics

This paper explores the potential of the transformer models for learning Granger causality in networks with complex nonlinear dynamics at every node, as in neurobiological and biophysical networks. Our study primarily focuses on a proof-of-concept investigation based on simulated neural dynamics, for which the ground-truth causality is known through the underlying connectivity matrix. For transformer models trained to forecast neuronal population dynamics, we show that the cross-attention module effectively captures the causal relationship among neurons, with an accuracy equal to or superior to that of the most popular Granger causality discovery method. While we acknowledge that real-world neurobiology data will bring further challenges, including dynamic connectivity and unobserved variability, this research offers an encouraging preliminary glimpse into the utility of the transformer model for causal representation learning in neuroscience.

Lu, Ziyu↗