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At least 235 records · Page 13

Comparison of Predictive Modeling Methods of Aircraft Landing Speed

Expected increases in air traffic demand have stimulated the development of air traffic control tools intended to assist the air traffic controller in accurately and precisely spacing aircraft landing at congested airports. Such tools will require an accurate landing-speed prediction to increase throughput while decreasing necessary controller interventions for avoiding separation violations. There are many practical challenges to developing an accurate landing-speed model that has acceptable prediction errors. This paper discusses the development of a near-term implementation, using readily available information, to estimate/model final approach speed from the top of the descent phase of flight to the landing runway. As a first approach, all variables found to contribute directly to the landing-speed prediction model are used to build a multi-regression technique of the response surface equation (RSE). Data obtained from operations of a major airlines for a passenger transport aircraft type to the Dallas/Fort Worth International Airport are used to predict the landing speed. The approach was promising because it decreased the standard deviation of the landing-speed error prediction by at least 18% from the standard deviation of the baseline error, depending on the gust condition at the airport. However, when the number of variables is reduced to the most likely obtainable at other major airports, the RSE model shows little improvement over the existing methods. Consequently, a neural network that relies on a nonlinear regression technique is utilized as an alternative modeling approach. For the reduced number of variables cases, the standard deviation of the neural network models errors represent over 5% reduction compared to the RSE model errors, and at least 10% reduction over the baseline predicted landing-speed error standard deviation. Overall, the constructed models predict the landing-speed more accurately and precisely than the current state-of-the-art.

Diallo, Ousmane H.↗

Optimization of Support Vector Machine (SVM) for Object Classification

The Support Vector Machine (SVM) is a powerful algorithm, useful in classifying data into species. The SVMs implemented in this research were used as classifiers for the final stage in a Multistage Automatic Target Recognition (ATR) system. A single kernel SVM known as SVMlight, and a modified version known as a SVM with K-Means Clustering were used. These SVM algorithms were tested as classifiers under varying conditions. Image noise levels varied, and the orientation of the targets changed. The classifiers were then optimized to demonstrate their maximum potential as classifiers. Results demonstrate the reliability of SVM as a method for classification. From trial to trial, SVM produces consistent results.

support vector machice (SVM)↗

Global Radiative Flux Profile Dataset: Revised and Extended

The third generation of the radiative flux profile data product, called ISCCP-FH, is described. The revisions over the previous generation (called ISCCP-FD) include improvements in the radiative model representation of gaseous and aerosol effects, as well as a refined statistical model of cloud vertical layer variations with cloud types, and increased spatial resolution. The new product benefits from the changes in the new H-version of the ISCCP cloud products (called ISCCP-H): higher spatial resolution, revised radiance calibration and treatment of ice clouds, treatment of aerosol effects, and revision of all the ancillary atmosphere and surface property products. The ISCCP-FH product is evaluated against more direct measurements from the Clouds and the Earth’s Radiant Energy System and the Baseline Surface Radiation Network products, showing some small, overall reductions in average flux uncertainties; but the main results are similar to ISCCP-FD: the ISCCP-FH uncertainties remain ≲10 Wm −2 at the top-of-atmosphere (TOA) and ≲15 Wm −2 at surface for monthly, regional averages. The long-term variations of TOA, surface and in-atmosphere net fluxes are documented and the possible transient cloud feedback implications of a long-term change of clouds are investigated. The cloud and flux variations from 1998 to 2012 suggest a positive cloud-radiative feedback on the oceanic circulation and a negative feedback on the atmospheric circulation. This example demonstrates that the ISCCP-FH product can provide useful diagnostic information about weather-to-interannual scale variations of radiation induced by changes in cloudiness as well as atmospheric and surface properties.

ISCCP-FH↗

Spiking Neurons for Analysis of Patterns

Artificial neural networks comprising spiking neurons of a novel type have been conceived as improved pattern-analysis and pattern-recognition computational systems. These neurons are represented by a mathematical model denoted the state-variable model (SVM), which among other things, exploits a computational parallelism inherent in spiking-neuron geometry. Networks of SVM neurons offer advantages of speed and computational efficiency, relative to traditional artificial neural networks. The SVM also overcomes some of the limitations of prior spiking-neuron models. There are numerous potential pattern-recognition, tracking, and data-reduction (data preprocessing) applications for these SVM neural networks on Earth and in exploration of remote planets. Spiking neurons imitate biological neurons more closely than do the neurons of traditional artificial neural networks. A spiking neuron includes a central cell body (soma) surrounded by a tree-like interconnection network (dendrites). Spiking neurons are so named because they generate trains of output pulses (spikes) in response to inputs received from sensors or from other neurons. They gain their speed advantage over traditional neural networks by using the timing of individual spikes for computation, whereas traditional artificial neurons use averages of activity levels over time. Moreover, spiking neurons use the delays inherent in dendritic processing in order to efficiently encode the information content of incoming signals. Because traditional artificial neurons fail to capture this encoding, they have less processing capability, and so it is necessary to use more gates when implementing traditional artificial neurons in electronic circuitry. Such higher-order functions as dynamic tasking are effected by use of pools (collections) of spiking neurons interconnected by spike-transmitting fibers. The SVM includes adaptive thresholds and submodels of transport of ions (in imitation of such transport in biological neurons). These features enable the neurons to adapt their responses to high-rate inputs from sensors, and to adapt their firing thresholds to mitigate noise or effects of potential sensor failure. The mathematical derivation of the SVM starts from a prior model, known in the art as the point soma model, which captures all of the salient properties of neuronal response while keeping the computational cost low. The point-soma latency time is modified to be an exponentially decaying function of the strength of the applied potential. Choosing computational efficiency over biological fidelity, the dendrites surrounding a neuron are represented by simplified compartmental submodels and there are no dendritic spines. Updates to the dendritic potential, calcium-ion concentrations and conductances, and potassium-ion conductances are done by use of equations similar to those of the point soma. Diffusion processes in dendrites are modeled by averaging among nearest-neighbor compartments. Inputs to each of the dendritic compartments come from sensors. Alternatively or in addition, when an affected neuron is part of a pool, inputs can come from other spiking neurons. At present, SVM neural networks are implemented by computational simulation, using algorithms that encode the SVM and its submodels. However, it should be possible to implement these neural networks in hardware: The differential equations for the dendritic and cellular processes in the SVM model of spiking neurons map to equivalent circuits that can be implemented directly in analog very-large-scale integrated (VLSI) circuits.

Huntsberger, Terrance↗

Reduced electron exposure for energy-dispersive spectroscopy using dynamic sampling

Analytical electron microscopy and spectroscopy of biological specimens, polymers, and other beam sensitive materials has been a challenging area due to irradiation damage. There is a pressing need to develop novel imaging and spectroscopic imaging methods that will minimize such sample damage as well as reduce the data acquisition time. The latter is useful for high-throughput analysis of materials structure and chemistry. Here, in this work, we present a novel machine learning based method for dynamic sparse sampling of EDS data using a scanning electron microscope. Our method, based on the supervised learning approach for dynamic sampling algorithm and neural networks based classification of EDS data, allows a dramatic reduction in the total sampling of up to 90%, while maintaining the fidelity of the reconstructed elemental maps and spectroscopic data. In conclusion, we believe this approach will enable imaging and elemental mapping of materials that would otherwise be inaccessible to these analysis techniques.

36 MATERIALS SCIENCE↗

Sensor Co-design for $\textit{smartpixels}$

Pixel tracking detectors at upcoming collider experiments will see unprecedented charged-particle densities. Real-time data reduction on the detector will enable higher granularity and faster readout, possibly enabling the use of the pixel detector in the first level of the trigger for a hadron collider. This data reduction can be accomplished with a neural network (NN) in the readout chip bonded with the sensor that recognizes and rejects tracks with low transverse momentum (p$_T$) based on the geometrical shape of the charge deposition (``cluster''). To design a viable detector for deployment at an experiment, the dependence of the NN as a function of the sensor geometry, external magnetic field, and irradiation must be understood. In this paper, we present first studies of the efficiency and data reduction for planar pixel sensors exploring these parameters. A smaller sensor pitch in the bending direction improves the p$_T$ discrimination, but a larger pitch can be partially compensated with detector depth. An external magnetic field parallel to the sensor plane induces Lorentz drift of the electron-hole pairs produced by the charged particle, broadening the cluster and improving the network performance. The absence of the external field diminishes the background rejection compared to the baseline by $\mathcal{O}$(10%). Any accumulated radiation damage also changes the cluster shape, reducing the signal efficiency compared to the baseline by $\sim$ 30 - 60%, but nearly all of the performance can be recovered through retraining of the network and updating the weights. Finally, the impact of noise was investigated, and retraining the network on noise-injected datasets was found to maintain performance within 6% of the baseline network trained and evaluated on noiseless data.

Shekar, Danush [Illinois U., Chicago]↗

Bimetallic Ir x Pb nanowire networks with enhanced electrocatalytic activity for the oxygen evolution reaction

Metallic nanowire networks (MNNs) have attracted increasing attention due to their high surface area and tunable compositions. Although enormous efforts have been devoted to preparing noble metal MNNs with different compositions, the composition optimization and the formation mechanism of Ir-based MNNs have not been thoroughly investigated. Here, this work presents a facile method for synthesizing robust Ir-based bimetallic MNNs by chemical reduction. As unveiled by our characterization, the network structure is constructed by ultrafine nanowires evolved from aggregated nanoparticles. The element analysis confirms the even distribution of Pb and Ir elements. The introduction of Pb is found to be beneficial to the stable formation of Ir x Pb MNNs in the sol–gel process. By tuning the precursor ratio of Ir and Pb, the optimized Ir x Pb catalyst delivers an enhanced oxygen evolution reaction (OER) performance in acid media (307 mV at 10 mA cm −2 ), which is superior to that of the commercial IrO 2 catalyst. Besides, due to the robust structure of the Ir x Pb MNNs, excellent OER durability is observed in the accelerated durability test (ADT) (2000 cycles).

Bimetallic↗

An Evaluation of the Effect of Network Cost Optimization for Leadership Class Supercomputers

Dragonfly-based networks are an extensively deployed network topology in large-scale high-performance computing due to their cost-effectiveness and efficiency. The US will soon have three Exascale supercomputers for leadership class workloads deployed using dragonfly networks. Compared to indirect networks of similar scale, the dragonfly network has considerably reduced cable lengths, cable counts, and switch counts, resulting in significant network cost savings for a given system size, however, these cost reductions result in reduced global minimal paths and more challenging routing. Additionally, large scale dragonfly networks often require a taper at the global link level, resulting in less bisection bandwidth than is achievable in other traditional non-blocking topologies of equivalent scale. While dragonfly networks have been extensively studied, they have yet to be fully evaluated in an extreme scale (i.e., exascale) system that targets capability workloads. In this paper, we present the results of the first large scale evaluation of a dragonfly network on an exascale system (Frontier) and compare its behavior to a similar scale fat-tree network on a previous generation TOP500 system (Summit). This evaluation aims to determine the effect of network cost optimizations by measuring a tapered topology’s impact on capability workloads. Our evaluation is based on a collection of synthetic microbenchmarks, mini-apps, and full scale applications. It compares the scaling efficiencies of each benchmark between the dragonfly-based Frontier and the fat-tree-based Summit systems. Our results show that a dragonfly network is $\sim \mathbf{3 0 \%}$ more cost efficient than a fat-tree topology, which amortizes to $\sim 3 \%$ of an exascale system cost. Furthermore, while tapered dragonfly networks impose significant tradeoffs, the impacts are not as broad as initially thought and are mostly seen in applications with global communication patterns, particularly all-to-all (e.g., FFT-based algorithms), but also local communication patterns (e.g., nearest-neighbor algorithms) that are sensitive to network performance variability.

Khan, Awais↗

A relational metric, its application to domain analysis, and an example analysis and model of a remote sensing domain

An objective and quantitative method has been developed for deriving models of complex and specialized spheres of activity (domains) from domain-generated verbal data. The method was developed for analysis of interview transcripts, incident reports, and other text documents whose original source is people who are knowledgeable about, and participate in, the domain in question. To test the method, it is applied here to a report describing a remote sensing project within the scope of the Earth Observing System (EOS). The method has the potential to improve the designs of domain-related computer systems and software by quickly providing developers with explicit and objective models of the domain in a form which is useful for design. Results of the analysis include a network model of the domain, and an object-oriented relational analysis report which describes the nodes and relationships in the network model. Other products include a database of relationships in the domain, and an interactive concordance. The analysis method utilizes a newly developed relational metric, a proximity-weighted frequency of co-occurrence. The metric is applied to relations between the most frequently occurring terms (words or multiword entities) in the domain text, and the terms found within the contexts of these terms. Contextual scope is selectable. Because of the discriminating power of the metric, data reduction from the association matrix to the network is simple. In addition to their value for design. the models produced by the method are also useful for understanding the domains themselves. They can, for example, be interpreted as models of presence in the domain.

Mcgreevy, Michael W.↗

Iodate Reduction by Shewanella oneidensis Requires Genes Encoding an Extracellular Dimethylsulfoxide Reductase

Microbial iodate (IO 3 – ) reduction is a major component of the iodine biogeochemical reaction network in anaerobic marine basins and radioactive iodine-contaminated subsurface environments. Alternative iodine remediation technologies include microbial reduction of IO 3 – to iodide (I – ) and microbial methylation of I – to volatile gases. The metal reduction pathway is required for anaerobic IO 3 – respiration by the gammaproteobacterium Shewanella oneidensis . However, the terminal IO 3 – reductase and additional enzymes involved in the S. oneidensis IO 3 – electron transport chain have not yet been identified. In this study, gene deletion mutants deficient in four extracellular electron conduits (EECs; Δ mtrA , Δ mtrA -Δ mtrDEF , Δ mtrA -Δ dmsEF , Δ mtr A-ΔSO4360) and DMSO reductase (Δ dmsB ) of S. oneidensis were constructed and examined for anaerobic IO 3 – reduction activity with either 20 mM lactate or formate as an electron donor. IO 3 – reduction rate experiments were conducted under anaerobic conditions in defined minimal medium amended with 250 μM IO 3 – as anaerobic electron acceptor. Only the Δ mtrA mutant displayed a severe deficiency in IO 3 – reduction activity with lactate as the electron donor, which suggested that the EEC-associated decaheme cytochrome was required for lactate-dependent IO 3 – reduction. The Δ mtrA -Δ dmsEF triple mutant displayed a severe deficiency in IO 3 – reduction activity with formate as the electron donor, whereas Δ mtrA -Δ mtrDEF and Δ mtr A-ΔSO4360 retained moderate IO 3 – reduction activity, which suggested that the EEC-associated dimethylsulfoxide (DMSO) reductase membrane-spanning protein DmsE, but not MtrA, was required for formate-dependent IO 3 – reduction. Furthermore, gene deletion mutant Δ dmsB (deficient in the extracellular terminal DMSO reductase protein DmsB) and wild-type cells grown with tungsten replacing molybdenum (a required co-factor for DmsA catalytic activity) in defined growth medium were unable to reduce IO 3 – with either lactate or formate as the electron donor, which indicated that the DmsAB complex functions as an extracellular IO 3 – terminal reductase for both electron donors. Results of this study provide complementary genetic and phenotypic evidence that the extracellular DMSO reductase complex DmsAB of S. oneidensis displays broad substrate specificity and reduces IO 3 – as an alternate terminal electron acceptor.

, Shewanella oneidensis↗

Reduced-order modeling of advection-dominated systems with recurrent neural networks and convolutional autoencoders

A common strategy for the dimensionality reduction of nonlinear partial differential equations (PDEs) relies on the use of the proper orthogonal decomposition (POD) to identify a reduced subspace and the Galerkin projection for evolving dynamics in this reduced space. However, advection-dominated PDEs are represented poorly by this methodology since the process of truncation discards important interactions between higher-order modes during time evolution. In this study, we demonstrate that encoding using convolutional autoencoders (CAEs) followed by a reduced-space time evolution by recurrent neural networks overcomes this limitation effectively. We demonstrate that a truncated system of only two latent space dimensions can reproduce a sharp advecting shock profile for the viscous Burgers equation with very low viscosities, and a six-dimensional latent space can recreate the evolution of the inviscid shallow water equations. Additionally, the proposed framework is extended to a parametric reduced-order model by directly embedding parametric information into the latent space to detect trends in system evolution. Furthermore, our results show that these advection-dominated systems are more amenable to low-dimensional encoding and time evolution by a CAE and recurrent neural network combination than the POD-Galerkin technique.

97 MATHEMATICS AND COMPUTING↗

Understanding and Estimating Error Propagation in Neural Networks for Scientific Data Analysis

Neural networks are increasingly integrated into scientific discovery, where input data reduction and model quantization play a key role in accelerating inference. However, understanding and mitigating the impact of these techniques on output error is critical for ensuring reliable results, particularly in tasks demanding high numerical precision. This paper introduces a comprehensive framework for optimizing neural network inference in scientific computing by combining data reduction and weight quantization while maintaining error-controlled outcomes. We develop theoretical analyses to bound error propagation under these reductions and propose a framework that balances computational performance with error constraints. Evaluation on real-world learning-based combustion simulations and satellite image classification demonstrates that our derived error bounds accurately predict observed errors while enabling significant computational speedup under our framework. This work highlights the potential for further leveraging advancements in modern lossy compression algorithms and hardware accelerators that support lower-precision formats.

He, Weiming [New Jersey Institute of Technology]↗

Bidirectional low temperature district energy systems with agent-based control: Performance comparison and operation optimization

Bidirectional low temperature networks are a novel concept that promises more efficient heating and cooling of buildings. Early research shows theoretical benefits in terms of exergy efficiency over other technologies. Pilot projects indicate that the concept delivers good performance if heating and cooling demands are diverse. However, the operation of these networks is not yet optimized and there is no quantification of the benefits over other technologies in various scenarios. Moreover, there is a lack of understanding of how to integrate and control multiple distributed heat and cold sources in such networks. Thus, this paper develops a control concept based on a temperature set point optimization and agent-based control which allows the modular integration of an arbitrary number of sources and consumers. Afterwards, the concept is applied to two scenarios representing neighborhoods in San Francisco and Cologne with different heating and cooling demands and boundary conditions. The performance of the system is then compared to other state-of-the-art heating and cooling solutions using dynamic simulations with Modelica. The results show that bidirectional low temperature networks without optimization produce 26% less emissions in the San Francisco scenario and 63% in the Cologne scenario in comparison to the other heating and cooling solutions. Savings of energy costs are 46% and 27%, and reductions of primary energy consumption 52% and 72%, respectively. The presented operation optimization leads to electricity use reductions of 13% and 41% when compared to networks with free-floating temperature control and the results indicate further potential for improvement. The study demonstrates the advantage of low temperature networks in different situations and introduces a control concept that is extendable for real implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Sulfur Conversion to Donor‐Acceptor Ladder Polymer Networks through Mechanochemical Nucleophilic Aromatic Substitution for Efficient CO 2 Photoreduction

The development of synthetic methods capable of converting elemental sulfur into conjugated porous sulfur‐rich polymers remains a great challenge, although direct utilization of this readily available feedstock can significantly enrich its uses and circumvent environmental problems during sulfur storage. Here, we report herein mechanochemical (MC) nucleophilic aromatic substitution (S N Ar) that enables sulfur conversion into thianthrene‐bridged porous ladder polymer networks with dense donor‐acceptor (D−A) molecular junctions. We demonstrate that the key lies in the generation of bent thianthrene units through a solid‐state ball‐milling condensation reaction between 1,2‐dihaloarenes and elemental sulfur. We also show that the assembling of D−A structural motifs into porous networks affords efficient visible‐light‐driven photocatalytic reduction of carbon dioxide (CO 2 ) with water (H 2 O) vapor, in the absence of any additional photosensitizer, sacrificial agents or cocatalysts. Exceptional photoinduced charge separation along with boosted exciton dissociation results in a high‐performance of carbon monoxide (CO) production rate of 306.1 μmol g −1 h −1 with near 100 % CO selectivity, which is accompanied by H 2 O oxidation to O 2 , as confirmed by both experimental and theoretical results. We anticipate this novel MC S N Ar approach will advance processing techniques for direct sulfur utilization and facilitate new possibilities for the synthesis of D−A ladder polymer networks with promising potential in photocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dimensional Evolution Guides Property Control in the A n Cu 4– n TiS 4 Semiconductor Series

Through progressive reduction of the three-dimensional (3D) covalent network of Cu 4 TiS 4 , we isolate seven new members of the A n Cu 4–n TiS 4 family (A = alkali metal; n = 0–4), spanning 3D, 2D, 1D, and 0D structural fragments. The dimensional reduction is rational, as it preserves the edge-sharing connectivity between [CuS 4 ] 7– and [TiS 4 ] 4– tetrahedra across the series. This structural evolution is driven by the stepwise substitution of Cu with alkali metals, guiding the formation of fragments with reduced dimensionality. The effects of “n” and “A” on the crystal structures, stabilities, electronic structures, and optoelectronic properties are profound, demonstrating that the manipulation of alkali metal size and A n Cu 4–n TiS 4 stoichiometry enables predictable variations in structure and properties. For example, the n = 0 and n = 4 end members of the A n Cu 4–n TiS 4 family set the range of achievable band gaps with 2.00 eV for Cu 4 TiS 4 , 2.60 eV for Na 4 TiS 4 , and intermediate values for the n = 1–3 members. Notably, CsCu 3 TiS 4 exhibits exceptional air stability and congruent melting, with density functional theory (DFT) calculating moderate hole and electron effective masses in specific crystallographic directions (mh = 1.24m 0 , me = 0.87m 0 ). Additionally, A 3 CuTiS 4 (A = Na, K, Rb) displays direct band gap behavior and long photoluminescence lifetimes of 2.3–8.6 μs, and K 3 CuTiS 4 has a PLQY of 5.19%. These findings underscore the potential of the A n Cu 4–n TiS 4 family for applications in optoelectronics and demonstrate widely applicable design concepts that unveil rational stoichiometries within a given composition space to generate a series of crystal structures related through an evolving covalent dimensionality that corresponds to a predictable electronic structure and property progression.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Neural Network Molecular Dynamics at Scale

Neural network molecular dynamics (NNMD) simulations could revolutionize atomistic modeling of materials with quantum-mechanical accuracy at a fraction of computational cost. However, popular NNMD frameworks are generally implemented for a single computing node, and conventional energy-based NN models still suffer from large time-to-solution (T2S), prohibiting the application of NNMD to challenging materials simulations encompassing large spatiotemporal scales. Consequently, no leadership-scale NNMD simulation has thus far been reported. Here, we present a scalable parallel NNMD software (RXMD-NN) based on our scalable reactive molecular dynamics simulation engine named RXMD. RXMD-NN has achieved high scalability up to 786,432 IBM BlueGene/Q cores involving 1.7 billion atoms. Furthermore, we have achieved 4.6-fold reduction of T2S by using a novel network that directly predicts atomic forces from feature vectors. Reduced T2S has for the first time allowed the study of large-scale off-stoichiometry effect in a widely used phase change material, Ge 2 Se 2 Te 5 , thereby resolving its "firstsharp diffraction peak mystery".

fist sharp diffraction peak↗

Maximizing the Benefits of Volt/VAR Optimization in the Presence of Community Energy Storage

This paper reports on the need for coordinating smart grid volt/volt-ampere reactive (VAR) control (VVC) and community energy storage (CES) to maximize the benefits of both approaches. It addresses a key application of volt/VAR optimization (VVO): the conservation of voltage reduction (CVR). The lack of coordination among network controls, such as VVO, and asset controls at the community battery storage system can lead to detrimental effects on grid operation. A smart grid-enabled VVC uses the VVO to perform the CVR operation. VVO can perform numerous tasks for advanced distribution management systems with coordination of the system operator. To achieve the optimal VVC solution, we use a particle swarm optimization driven VVO method. The test system has been simulated for two scenarios-during light loading and high loading condition-with and without the CES system. In both scenarios, the operation of CVR and CES have been performed considering different case studies. The outcomes of the simulated results demonstrate that significant improvement in peak load-demand reduction is achieved by the proposed VVC and CES system with reduced system losses.

24 POWER TRANSMISSION AND DISTRIBUTION↗