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At least 487 records · Page 27

Background-Aware 3-D Point Cloud Segmentation With Dynamic Point Feature Aggregation

With the proliferation of LiDAR sensors and 3-D vision cameras, 3-D point cloud analysis has attracted significant attention in recent years. In this article, we propose a novel 3-D point cloud learning network, referred to as dynamic point feature aggregation network (DPFA-Net), by selectively performing the neighborhood feature aggregation (FA) with dynamic pooling and an attention mechanism. DPFA-Net has two variants for semantic segmentation and classification of 3-D point clouds. As the core module of the DPFA-Net, we propose an FA layer, in which features of the dynamic neighborhood of each point are aggregated via a self-attention mechanism. In contrast to other segmentation models, which aggregate features from fixed neighborhoods, our approach can aggregate features from different neighbors in different layers providing a more selective and broader view to the query points and focusing more on the relevant features in a local neighborhood. In addition, to further improve the performance of semantic segmentation, we exploit the background–foreground (BF) information and present two novel approaches, namely, two-stage BF-Net and BF regularization. Experimental results show that the proposed DPFA-Net achieves the state-of-the-art overall accuracy score of 89.22% for semantic segmentation on the Stanford large-scale 3-D Indoor Spaces (S3DIS) dataset and provides consistently satisfactory performance across different tasks of semantic segmentation, part segmentation, and 3-D object classification. Furthermore, our model achieves 93.1% accuracy on the ModelNet40 dataset and provides a mean shape intersection-over-union (IoU) value of 85.5% for part segmentation on the ShapeNet-Part dataset. It is a also computationally more efficient compared to other methods.

3-D↗

Solving Newton’s equations of motion with large timesteps using recurrent neural networks based operators

Classical molecular dynamics simulations are based on solving Newton’s equations of motion. Using a small timestep, numerical integrators such as Verlet generate trajectories of particles as solutions to Newton’s equations. We introduce operators derived using recurrent neural networks that accurately solve Newton’s equations utilizing sequences of past trajectory data, and produce energy-conserving dynamics of particles using timesteps up to 4000 times larger compared to the Verlet timestep. We demonstrate significant speedup in many example problems including 3D systems of up to 16 particles.

Newton’s equations↗

Trust Model System for the Energy Grid of Things Network Communications

Network communication is crucial in the Energy Grid of Things (EGoT). Without a network connection, the energy grid becomes just a power grid where the energy resources are available to the customer uni-directionally. A mechanism to analyze and optimize the energy usage of the grid can only happen through a medium, a communications network, that enables information exchange between the grid participants and the service provider. Security implementers of EGoT network communication take extraordinary measures to ensure the safety of the energy grid, a critical infrastructure, as well as the safety and privacy of the grid participants. With the dynamic nature of network communication of the EGoT, the information provided by the customer or the service provider can be falsified by a malicious attacker. Therefore, a trust model is necessary to monitor any abnormal activities. This paper describes a distributed trust model system that meets the need of the EGoT. This paper describes methods for evaluating and improving the distributed trust model using standard hypothesis testing metrics such as true positive, false positive, true negative, false negative, equal error rate, and F1 score. Example calculations are shown based on generated sample data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Hyperswitch Network For Hypercube Computer

Data-driven dynamic switching enables high speed data transfer. Proposed hyperswitch network based on mixed static and dynamic topologies. Routing header modified in response to congestion or faults encountered as path established. Static topology meets requirement if nodes have switching elements that perform necessary routing header revisions dynamically. Hypercube topology now being implemented with switching element in each computer node aimed at designing very-richly-interconnected multicomputer system. Interconnection network connects great number of small computer nodes, using fixed hypercube topology, characterized by point-to-point links between nodes.

Chow, Edward↗

Active Learning A Neural Network Model For Gold Clusters & Bulk From Sparse First Principles Training Data

Small metal clusters are of fundamental scientific interest and of tremendous significance in catalysis. These nanoscale clusters display diverse geometries and structural motifs depending on the cluster size; a knowledge of this size-dependent structural motifs and their dynamical evolution has been of longstanding interest. Given the high computational cost of first-principles calculations, molecular modeling and atomistic simulations such as molecular dynamics (MD) has proven to be an important complementary tool to aid this understanding. Classical MD typically employ predefined functional forms which limits their ability to capture such complex size-dependent structural and dynamical transformation. Neural Network (NN) based potentials represent flexible alternatives and in principle, well-trained NN potentials can provide high level of flexibility, transferability and accuracy on-par with the reference model used for training. A major challenge, however, is that NN models are interpolative and requires large quantities (similar to 10 4 or greater) of training data to ensure that the model adequately samples the energy landscape both near and far-from-equilibrium. A highly desirable goal is minimize the number of training data, especially if the underlying reference model is first-principles based and hence expensive. In this work, we introduce an active learning (AL) scheme that trains a NN model on-the-fly with minimal amount of first-principles based training data. Our AL workflow is initiated with a sparse training dataset (similar to 1 to 5 data points) and is updated on-the-fly via a Nested Ensemble Monte Carlo scheme that iteratively queries the energy landscape in regions of failure and updates the training pool to improve the network performance. Using a representative system of gold clusters, we demonstrate that our AL workflow can train a NN with similar to 500 total reference calculations. Using an extensive DFT test set of similar to 1100 configurations, we show that our AL-NN is able to accurately predict both the DFT energies and the forces for clusters of a myriad of different sizes. Our NN predictions are within 30 meV/atom and 40 meV/angstrom of the reference DFT calculations. Moreover, our AL-NN model also adequately captures the various size-dependent structural and dynamical properties of gold clusters in excellent agreement with DFT calculations and available experiments. We finally show that our AL-NN model also captures bulk properties reasonably well, even though they were not included in the training data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Low-Frequency Stability Analysis of Inverter-Based Islanded Multiple-Bus AC Microgrids Based on Terminal Characteristics

For system planning of three-phase inverter-based islanded ac microgrids, the low frequency instability issue caused by interactions of inverter droop controllers is a major concern. When internal control information of procured commercial inverters is unknown, impedance-based small-signal stability criteria facilitate prediction of resonances in medium and high frequency ranges, but they usually assume the grid fundamental frequency as constant and thus they are incapable of analyzing the low-frequency oscillation of the fundamental frequency in islanded microgrids. Aiming at solving this issue, this paper proposes two stability analysis methods based on terminal characteristics of inverters and passive connection network including the dynamics of the fundamental frequency for analysis of low-frequency stability in islanded multiple-bus microgrids. Based on the Component Connection Method (CCM) to systematically separate inverters from the passive connection network, a general approach is developed to model the microgrid as a multiple-input-multiple-output (MIMO) negative feedback system in the common system d-q reference frame. By applying the generalized Nyquist stability criterion (GNC) to the return-ratio and return-difference matrices of the MIMO system model, the low-frequency stability related to the fundamental frequency can be analyzed using the measured terminal characteristics of inverters. Finally, analysis and simulation of a 37-bus microgrid verify the effectiveness of the proposed stability analysis methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Intelligent manipulation technique for multi-branch robotic systems

New analytical development in kinematics planning is reported. The INtelligent KInematics Planner (INKIP) consists of the kinematics spline theory and the adaptive logic annealing process. Also, a novel framework of robot learning mechanism is introduced. The FUzzy LOgic Self Organized Neural Networks (FULOSONN) integrates fuzzy logic in commands, control, searching, and reasoning, the embedded expert system for nominal robotics knowledge implementation, and the self organized neural networks for the dynamic knowledge evolutionary process. Progress on the mechanical construction of SRA Advanced Robotic System (SRAARS) and the real time robot vision system is also reported. A decision was made to incorporate the Local Area Network (LAN) technology in the overall communication system.

Chen, Alexander Y. K.↗

Dynamic Diketoenamine Crosslinking Unlocks Vinyl Polymer Vitrimers From β ‐Triketone Chemistry

Covalent adaptable networks (CANs) offer a compelling strategy to unite the mechanical robustness of thermosets with the reprocessability of thermoplastics, yet achieving simultaneous durability, processability, and true recyclability remains challenging. We introduce diketoenamine (DKE) vitrimers derived from β-triketone methacrylate monomers and demonstrate how rational monomer design dictates network processability, viscoelasticity, and recyclability. By systematically varying the spacer length between the β-triketone (TK) moiety and the polymer backbone, we identify a key structure–property relationship that dictates vitrimer behavior. Networks bearing TK pendants minimally displaced from the backbone suppress creep but exhibit limited stress relaxation, whereas extended spacers yield lower glass transition temperatures, higher effective crosslink densities, and efficient stress dissipation, enabling optical transparency and reprocessability. Extending this platform to ultra-high molecular-weight prepolymers introduces physical entanglements as secondary crosslinks, further enhancing dimensional stability without compromising processability. Both mechanical and chemical recycling validate the closed-loop circularity of these materials. Furthermore, these results establish TK methacrylates as a versatile platform for designing high-performance vitrimers that integrate durability, reprocessability, and true closed-loop recyclability.

closed-loop recyclability↗

X-ray and molecular dynamics study of the temperature-dependent structure of molten NaF-Zr⁢F 4

The local atomic structure of NaF-Zr⁢F 4 (53–47 mol%) molten system and its evolution with temperature are examined with x-ray scattering measurements which are then used to validate the quality of ab initio and neural network-based molecular dynamics (NNMD) calculations in the temperature range 515–700°⁢C. The machine-learning enhanced NNMD calculations offer improved efficiency while maintaining accuracy at higher distances compared to ab initio calculations. Looking at the evolution of the pair distribution function with increasing temperature, a fundamental change in the liquid structure within the selected temperature range, accompanied by a slight decrease in overall correlation is revealed. NNMD calculations indicate the coexistence of three different fluorozirconate complexes: [Zr⁢F 6 ] 2– , [Zr⁢F 7 ] 3– , and [Zr⁢F 8 ] 4– , with a shift in the dominant coordination state from the 7-coordinated Zr cation toward a 6-coordinated cation with increasing temperature. The study also highlights the metastability of different local coordination structures, with frequent interconversions between the 6- and 7-coordinate states. Analysis of the Zr-F-Zr angular distribution function reveals the presence of both “edge-sharing” and “corner-sharing” fluorozirconate complexes with specific bond angles and distances in accord with previous studies, while the next-nearest-neighbor cation-cation correlations demonstrate a clear preference for unlike cations as nearest-neighbor pairs, emphasizing nonrandom arrangement. Finally, these findings contribute to a comprehensive understanding of the complex local structure of the molten salt, providing insights into temperature-dependent preferences and correlations within the molten system.

36 MATERIALS SCIENCE↗

Building and Breaking Carbon Composites with REACTER

Carbon composites have become indispensable for aerospace and other high-performance applications, and a detailed picture of their morphology and failure mechanisms remains difficult to obtain through experiment. REACTER is a versatile computational modeling tool for atomistic molecular dynamics designed to model chemical reactions at the speed and length scales of classical force fields.1 In this work, several recent features of REACTER were applied to the creation and subsequent mechanical testing of two classes of carbon composites, carbon-fiber reinforced polymers (CFRP) and carbon nanotube (CNT) composites. Carbon fiber core morphologies were created by the method of Desai et al.,2 but using the advanced reaction constraints framework of REACTER, their proposed multistep procedure was reduced to a single uninterrupted molecular dynamics simulation. The carbon fiber filler was embedded into a polymer matrix by simulated in situ polymerization of several thermosetting resins, including bismaleimide and polyarylacetylene, to obtain the final CFRP model. To generate the second class of carbon composite, CNT networks were grown dynamically using the new ‘create atoms’ feature of REACTER, and similarly infiltrated with resin to obtain CNT composites. The resulting models were compared directly to experiment using simulated high resolution transmission electron microscopy and x-ray diffraction. Failure mechanisms were elucidated by simulating mechanically induced bond breaking, as characterized by third-order DFT-based tight-binding (DFTB3) simulations, via a reaction constraint on the total potential energy of the involved atoms.

Molecular Dynamics↗

A Framework for Dynamic Constraint Reasoning Using Procedural Constraints

Many complex real-world decision and control problems contain an underlying constraint reasoning problem. This is particularly evident in a recently developed approach to planning, where almost all planning decisions are represented by constrained variables. This translates a significant part of the planning problem into a constraint network whose consistency determines the validity of the plan candidate. Since higher-level choices about control actions can add or remove variables and constraints, the underlying constraint network is invariably highly dynamic. Arbitrary domain-dependent constraints may be added to the constraint network and the constraint reasoning mechanism must be able to handle such constraints effectively. Additionally, real problems often require handling constraints over continuous variables. These requirements present a number of significant challenges for a constraint reasoning mechanism. In this paper, we introduce a general framework for handling dynamic constraint networks with real-valued variables, by using procedures to represent and effectively reason about general constraints. The framework is based on a sound theoretical foundation, and can be proven to be sound and complete under well-defined conditions. Furthermore, the framework provides hybrid reasoning capabilities, as alternative solution methods like mathematical programming can be incorporated into the framework, in the form of procedures.

Jonsson, Ari K.↗

Temporal change in chromatin accessibility predicts regulators of nodulation in Medicago truncatula

Symbiotic associations between bacteria and leguminous plants lead to the formation of root nodules that fix nitrogen needed for sustainable agricultural systems. Symbiosis triggers extensive genome and transcriptome remodeling in the plant, yet an integrated understanding of the extent of chromatin changes and transcriptional networks that functionally regulate gene expression associated with symbiosis remains poorly understood. In particular, analyses of early temporal events driving this symbiosis have only captured correlative relationships between regulators and targets at mRNA level. Here, we characterize changes in transcriptome and chromatin accessibility in the model legume Medicago truncatula, in response to rhizobial signals that trigger the formation of root nodules. We profiled the temporal chromatin accessibility (ATAC-seq) and transcriptome (RNA-seq) dynamics of M. truncatula roots treated with bacterial small molecules called lipo-chitooligosaccharides that trigger host symbiotic pathways of nodule development. Using a novel approach, dynamic regulatory module networks, we integrated ATAC-seq and RNA-seq time courses to predict cis-regulatory elements and transcription factors that most significantly contribute to transcriptomic changes associated with symbiosis. Regulators involved in auxin (IAA4-5, SHY2), ethylene (EIN3, ERF1), and abscisic acid (ABI5) hormone response, as well as histone and DNA methylation (IBM1), emerged among those most predictive of transcriptome dynamics. RNAi-based knockdown of EIN3 and ERF1 reduced nodule number in M. truncatula validating the role of these predicted regulators in symbiosis between legumes and rhizobia. Our transcriptomic and chromatin accessibility datasets provide a valuable resource to understand the gene regulatory programs controlling the early stages of the dynamic process of symbiosis. The regulators identified provide potential targets for future experimental validation, and the engineering of nodulation in species is unable to establish that symbiosis naturally.

59 BASIC BIOLOGICAL SCIENCES↗

Miniature, Low-Power, Waveguide Based Infrared Fourier Transform Spectrometer for Spacecraft Remote Sensing

Fourier transform spectrometers have a venerable heritage as flight instruments. However, obtaining an accurate spectrum exacts a penalty in instrument mass and power requirements. Recent advances in a broad class of non-scanning Fourier transform spectrometer (FTS) devices, generally called spatial heterodyne spectrometers, offer distinct advantages as flight optimized systems. We are developing a miniaturized system that employs photonics lightwave circuit principles and functions as an FTS operating in the 7-14 micrometer spectral region. The inteferogram is constructed from an ensemble of Mach-Zehnder interferometers with path length differences calibrated to mimic scan mirror sample positions of a classic Michelson type FTS. One potential long-term application of this technology in low cost planetary missions is the concept of a self-contained sensor system. We are developing a systems architecture concept for wide area in situ and remote monitoring of characteristic properties that are of scientific interest. The system will be based on wavelength- and resolution-independent spectroscopic sensors for studying atmospheric and surface chemistry, physics, and mineralogy. The self-contained sensor network is based on our concept of an Addressable Photonics Cube (APC) which has real-time flexibility and broad science applications. It is envisaged that a spatially distributed autonomous sensor web concept that integrates multiple APCs will be reactive and dynamically driven. The network is designed to respond in an event- or model-driven manner or reconfigured as needed.

Hewagama, TIlak↗

Netostat: analyzing dynamic flow patterns in high-speed networks

Understanding flow traffic patterns in networks, such as the Internet or service provider networks, is crucial to improving their design and building them robustly. However, as networks grow and become more complex, it is increasingly cumbersome and challenging to study how the many flow patterns, sizes and the continually changing source-destination pairs in the network evolve with time. Here, we present Netostat, a visualization-based network analysis tool that uses visual representation and a mathematics framework to study and capture flow patterns, using graph theoretical methods such as clustering, similarity and difference measures. Netostat generates an interactive graph of all traffic patterns in the network, to isolate key elements that can provide insights for traffic engineering. We present results for U.S. and European research networks, ESnet and GEANT, demonstrating network state changes, to identify major flow trends, potential points of failure, and bottlenecks.

97 MATHEMATICS AND COMPUTING↗

Three-dimensional atomic packing in amorphous solids with liquid-like structure

Liquids and solids are two fundamental states of matter. However, our understanding of their three-dimensional atomic structure is mostly based on physical models. Here we use atomic electron tomography to experimentally determine the three-dimensional atomic positions of monatomic amorphous solids, namely a Ta thin film and two Pd nanoparticles. We observe that pentagonal bipyramids are the most abundant atomic motifs in these amorphous materials. Instead of forming icosahedra, the majority of pentagonal bipyramids arrange into pentagonal bipyramid networks with medium-range order. Molecular dynamics simulations further reveal that pentagonal bipyramid networks are prevalent in monatomic metallic liquids, which rapidly grow in size and form more icosahedra during the quench from the liquid to the glass state. Furthermore, these results expand our understanding of the atomic structures of amorphous solids and will encourage future studies on amorphous–crystalline phase and glass transitions in non-crystalline materials with three-dimensional atomic resolution.

36 MATERIALS SCIENCE↗

Degree-preserving graph dynamics: a versatile process to construct random networks

Real-world networks evolve over time via the addition or removal of vertices and edges. In current network evolution models, vertex degree varies or grows arbitrarily. A recently introduced degree-preserving network growth (DPG) family of models preserves vertex degree, resulting in structures significantly different from and more diverse than previous models. Despite its degree preserving property, the DPG model is able to replicate the output of several well-known real-world network growth models. Simulations showed that many real-world networks can also be constructed from small seed graphs via the DPG process. Here, we start the development of a rigorous mathematical theory underlying the DPG family of network growth models. We prove that the degree sequence of the output of some of the well-known, real-world network growth models can be reconstructed via the DPG process, using proper parametrization. We also show that the general problem of deciding whether a simple graph can be obtained via the DPG process from a small seed (DPG feasibility) is, however, NP-complete. In conclusion, it is an intriguing open problem to uncover whether there is a structural reason behind the DPG-constructability of real-world networks.

97 MATHEMATICS AND COMPUTING↗