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All sources NASA NTRS DOE OSTI

DOE OSTI2022

Training a Quantum Annealing Based Restricted Boltzmann Machine on Cybersecurity Data

A restricted Boltzmann machine (RBM) is a generative model that could be used in effectively balancing a cybersecurity dataset because the synthetic data a RBM generates follows the probability distribution of the training data. RBM training can be performed using contrastive divergence (CD) and quantum annealing (QA). QA-based RBM training is fundamentally different from CD and requires samples from a quantum computer. We present a real-world application that uses a quantum computer. Specifically, we train a RBM using QA for cybersecurity applications. The D-Wave 2000Q has been used to implement QA. RBMs are trained on the ISCX data, which is a benchmark dataset for cybersecurity. For comparison, RBMs are also trained using CD. CD is a commonly used method for RBM training. Our analysis of the ISCX data shows that the dataset is imbalanced. We present two different schemes to balance the training dataset before feeding it to a classifier. The first scheme is based on the undersampling of benign instances. The imbalanced training dataset is divided into five sub-datasets that are trained separately. A majority voting is then performed to get the result. Our results show the majority vote increases the classification accuracy up from 90.24% to 95.68%, in the case of CD. For the case of QA, the classification accuracy increases from 74.14% to 80.04%. In the second scheme, a RBM is used to generate synthetic data to balance the training dataset. We show that both QA and CD-trained RBM can be used to generate useful synthetic data. Balanced training data is used to evaluate several classifiers. Among the classifiers investigated, K-Nearest Neighbor (KNN) and Neural Network (NN) perform better than other classifiers. They both show an accuracy of 93%. Our results show a proof-of-concept that a QA-based RBM can be trained on a 64-bit binary dataset. The illustrative example suggests the possibility to migrate many practical classification problems to QA-based techniques. Further, we show that synthetic data generated from a RBM can be used to balance the original dataset.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Quality Assurance of ISS LIS lightning Data

Optical lighting detection from space has been ongoing since 1995 from the Optical Transient detector (1995-2000), then later by the Lightning Imaging Sensors (LIS) on the Tropical Rainfall Measuring Mission (TRMM) satellite (1997-2015) and the International Space Station (ISS) (ISS 2017-present). A rapid readout (2 ms) 128x128 pixel CCD (Charge-coupled Device) array detects optical transients from lightning (events) and transmits the observations to ground. Ground processing determines whether individual events are likely due to lightning or noise. Likely lightning events are then grouped into groups, flashes, and areas and their location on the earth are determined. The lightning data are saved in orbit files; each file containing the time, location, and intensity of the lightning events, groups, flashes, and areas detected during one orbit. Even after this processing anomalies may exist in some of the orbits. A manual quality assurance (QA) procedure is performed monthly to assess the data and omit orbits with obvious anomalies from the dataset. These files are not included in the final dataset that has undergone QA. The manual QA was developed during the OTD mission to identify artifacts that made it through ground processing algorithms. The manual QA process was continued for the TRMM and ISS LIS missions. Many anomalies have been identified and software updates now address many of them. However, some anomalies still occur in the processed datasets. The manual QA process examines the data for obvious issues in the lightning files that passed through the processing algorithms. These files are considered anomalous and are not included in the final QA dataset. Some issues that may cause an orbit to be considered anomalous include: obvious noise (excess events that make it through the processing), suspect geolocation, and excessive missing data packets. As an example, one way noise manifests is as “streaks” in lightning climatology plots. These streaks are especially apparent in low lightning rate regions (eg., over oceans). Since there is no method at present to extract these anomalies during processing, orbit files with significant anomalies are identified and removed from the final QA ISS LIS dataset. The final QA dataset can be obtained files from the Global Hydrometeorological Resource Center (GHRC). This presentation will provide examples of the various anomalies and examine how often the various anomalies occur and how much data is lost due to the omission of the anomalous orbits. Comparisons with OTD and TRMM LIS will also be examined.

ISS↗

NASA NTRS1972

HELIOS Critical Design Review: Quality Assurance

The following is an account of the activities of the Quality Assurance (QA) department of the project management office highlighting some of the ways in which it controls QA of the subcontractors on one hand and reports on Quality to GfW (Gesellschaft fur Weltraumforschung) on the other hand. The basic document prepared by MBB (Messerschmitt-Bolkow-Blohm) for QA activities is 1. The QA plan based on GfW 002. The QA department is responsible moreover for monitoring and making decisions about the quality of parts and materials and the governing document for this activity is 2. The Parts and Materials Control Plan based on GfW 001 - the reliability program provisions, as well as GfW 002. A brief survey of the contents of the QA Plan is shown. It should be noted that QA activity dealing with parts procurement is partially covered in a separate presentation entitled "Hi-Rel Parts". Supplementary quality documents are shown.

Benoehr, H. C.↗

DOE OSTI2020

Optimization of quasi-axisymmetric stellarators with varied elongation

An optimization study of Quasi-Axisymmetric (QA) stellarators with varied elongation has been carried out using the optimization code STELLOPT. The starting point of our optimization is a previously obtained QA stellarator with 3 field periods and aspect ratio of 6. Here, a series of QA stellarators are obtained at zero plasma beta with varied elongation value ranging from 2.5 to 3.7. Good quasi-symmetry is kept when the elongation value is reduced from the original value of 3.7. The rotational transform profile and aspect ratio are kept fixed. The plasma volume is ether kept fixed or varied linearly with elongation. Furthermore, finite beta QA stellarators are considered. The corresponding bootstrap currents are calculated using the kinetic code SFINCS. A series of kink-stable QA stellarators are obtained via optimization with varied plasma beta up to 5% and self-consistent bootstrap current. This work demonstrates that good QA stellarators with finite beta and varied elongation exist that are stable to external kink modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Assessment and Performance of Flexible Quench Antenna Array Diagnostics for Superconducting Magnets

FNAL has been developing multiple versions of flexible quench antennas (flex-QA), including some specially optimized for high sensitivity and/or high resolution, to characterize quench events and transients during current ramping in superconducting magnets. A fundamental feature in our use of these is the creation of grid-like structures of sensitive elements to cover coil surfaces, with the aim of getting precise localization of magnetic flux-change events. The flex-QA are coupled with fast data-acquisition, allowing comprehensive analysis of signals at the relevant fine time scales. In addition to arrays of various flex-QA types being used during cryogenic testing of superconducting magnets, we also are utilizing a newly developed room temperature test stand to better understand QA response characteristics. The data from actual superconducting magnet tests, warm test stand measurements, and simulation data on the same QA designs allows us to draw conclusions on operational feasibility and plan better for improvements of our sensors. In this paper we present data from the multiple tests performed and analysis results. Flex-QA designs are compared, and their features, options, and optimization discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2018

Qualifying Bulk Metallic Glass Gear Materials for Spacecraft Applications

NASA is evaluating bulk metallic glass (BMG) gears for extreme environment (cryogenic) applications; e.g., Europa Lander. The main purpose of this report is to recommend a quality assurance (QA) protocol for the production of consistent and reliable gear castings. Currently, there are two, separate manufacturers involved; Materion Corporation produces re-melt stock and Visser Precision Cast, Inc. produces BMG castings. Division of the existing alloy specifications document into material supplier-specific documents is proposed. Until a composition-based specification is established, processability- and performance-based methodologies may be an option during manufacturing development. It is recommended that each of the documents has a distinct focus; the processing behavior of crystalline feedstock, and the mechanical behavior of amorphous castings. The report addresses the “gray area” in QA testing between these materials suppliers by outlining an equitable division of responsibilities. The use of a number of dedicated reference dies to produce witness materials for physical and mechanical property evaluation is strongly recommended. Allocation of QA tests between screen testing of gear castings, and formal testing of witness materials, including cryogenic properties, is also proposed. The most effective suite of tests for both physical and mechanical property determination are down-selected from available national and international standards. The contents of this report create a solid basis for selection of QA tests, thereby setting the stage for negotiations between the materials suppliers and the customer.This technical paper:a) provides recommendations to advance materials specifications document JPL D-56223,Rev. A from “draft” to “preliminary” status;b) proposes division of the current document into two supplier-specific documents;c) separates testing methods by “ingots/castings” and “witness materials”;d) classifies test methodology based on “processability” and “performance”;e) assembles candidate ASTM specifications for “screen testing” and “formal testing”;f) identifies standard tests compatible with evaluation of BMG flexspline gears;g) suggests division of responsibilities for processability and performance testing; andh) addresses the QA “gray area” between production of ingots and castings.The report recommends that:a) processability- and performance-based QA methods might be used in lieu ofcompositional specifications during manufacturing development only;b) reference dies be designed for “acceptance” and “qualification” castings;c) witness materials provide physical and mechanical property data;d) formal testing be conducted at ambient and cryogenic temperatures; ande) processing/properties be correlated with compositional variations.

Hales, Stephen J.↗

DOE OSTI2026

A Comprehensive Comparative Study of Active Learning Schemes for Nanophotonics Design

We present a benchmarking study of active learning (AL) schemes for designing planar multilayer nanophotonic metamaterials, where the design tasks are formulated as binary optimization problems. Different surrogate models, including factorization machine (FM), Gaussian process regression (GPR), and convolutional neural network (CNN), combined with different optimization methods, including exhaustive enumeration, discrete particle swarm optimization (DPSO), quantum annealing (QA), hybrid QA, and simulated annealing are studied. The benchmark cases investigated range from small problems with short binary lengths (N = 25) to large problems with N up to 100, focusing on the design of two classes of photonic structures, including antireflective coatings for the long-wavelength infrared region and transparent radiative coolers. For small problems, CNN coupled with DPSO in AL achieves the best performance. As N increases, FM with QA outperforms GPR and CNN. For FM-based AL, hybrid QA yields the best optimization results, particularly in high-dimensional cases (N = 100). These results demonstrate that the optimization method can significantly affect in AL performance as N increases, and that QA-based optimization can provide practical routes for mitigating the optimization bottleneck in high-dimensional problems.

Jung, Serang [Kyung Hee University, Korea]↗

DOE OSTI2023

Short-Depth QAOA circuits and Quantum Annealing on Higher-Order Ising Models (Rev.2)

The Quantum Alternating Operator Ansatz (QAOA) and Quantum Annealing (QA) are quantum algorithms that are both based on the adiabatic theorem and both have the goal of sampling the optimal solution(s) of combinatorial optimization problems. Quantum annealing has been physically instantiated on D-Wave devices using superconducting flux qubits, and QAOA can be programmed on digital gate-model quantum computers such as the programmable superconducting transmon qubits devices of the IBMQ series, for instance ibm washington. QAOA and QA address the same types of problems, but it is unclear how they will scale to large problem sizes and to larger and higher-fidelity quantum computers. In this article, we present a direct comparison between QAOA, one and two rounds, run on all 127 qubits of ibm washington and QA run on D-Wave Advantage system4.1 and Advantage system6.1. The problems which allow for this comparison are random Ising model problems whose connectivity matches the heavy hexagonal lattice topology of ibm washington and the Pegasus graph connectivity of the two D-Wave devices. We create two classes of problem instances for this comparison: one with higher order terms (ZZZ variable interactions), linear terms, and quadratic terms, and a separate problem type with only linear and quadratic terms. Our QAOA circuits are novel and extremely short depth, with a CNOT depth of 6 per round, which allows whole chip usage of ibm washington’s heavy hexagonal lattice and can be applied to future heavy-hex chips. We also test the effectiveness of the error suppression technique digital dynamical decoupling on the QAOA circuits. The QAOA circuits compiled to ibm washington are composed of several thousand circuit instructions, approximately 3, 000 depending on the details of the circuit, making these some the largest quantum circuits ever executed on a digital quantum processor. QAOA and QA are compared against the classical heuristic algorithm of simulated annealing and all problem instances are exactly solved using CPLEX in order to evaluate which samplers, if any, correctly found the ground state solution(s) of the problem instances. We find that (i) QA outperforms QAOA on all problem instances, (ii) QAOA samples the problems better than random sampling, and (iii) QAOA angle computation exhibits clear parameter concentration across the ensemble of Ising models.

127 Qubits↗

NASA NTRS1991

Capturing, using, and managing quality assurance knowledge for shuttle post-MECO flight design

Ascent initialization values used by the Shuttle's onboard computer for nominal and abort mission scenarios are verified by a six degrees of freedom computer simulation. The procedure that the Ascent Post Main Engine Cutoff (Post-MECO) group uses to perform quality assurance (QA) of the simulation is time consuming. Also, the QA data, checklists and associated rationale, though known by the group members, is not sufficiently documented, hindering transfer of knowledge and problem resolution. A new QA procedure which retains the current high level of integrity while reducing the time required to perform QA is needed to support the increasing Shuttle flight rate. Documenting the knowledge is also needed to increase its availability for training and problem resolution. To meet these needs, a knowledge capture process, embedded into the group activities, was initiated to verify the existing QA checks, define new ones, and document all rationale. The resulting checks were automated in a conventional software program to achieve the desired standardization, integrity, and time reduction. A prototype electronic knowledge base was developed with Macintosh's HyperCard to serve as a knowledge capture tool and data storage.

Peters, H. L.↗

NASA NTRS1990

Hubble Space Telescope: SRM/QA observations and lessons learned

The Hubble Space Telescope (HST) Optical Systems Board of Investigation was established on July 2, 1990 to review, analyze, and evaluate the facts and circumstances regarding the manufacture, development, and testing of the HST Optical Telescope Assembly (OTA). Specifically, the board was tasked to ascertain what caused the spherical aberration and how it escaped notice until on-orbit operation. The error that caused the on-orbit spherical aberration in the primary mirror was traced to the assembly process of the Reflective Null Corrector, one of the three Null Correctors developed as special test equipment (STE) to measure and test the primary mirror. Therefore, the safety, reliability, maintainability, and quality assurance (SRM&QA) investigation covers the events and the overall product assurance environment during the manufacturing phase of the primary mirror and Null Correctors (from 1978 through 1981). The SRM&QA issues that were identified during the HST investigation are summarized. The crucial product assurance requirements (including nonconformance processing) for the HST are examined. The history of Quality Assurance (QA) practices at Perkin-Elmer (P-E) for the period under investigation are reviewed. The importance of the information management function is discussed relative to data retention/control issues. Metrology and other critical technical issues also are discussed. The SRM&QA lessons learned from the investigation are presented along with specific recommendations. Appendix A provides the MSFC SRM&QA report. Appendix B provides supplemental reference materials. Appendix C presents the findings of the independent optical consultants, Optical Research Associates (ORA). Appendix D provides further details of the fault-tree analysis portion of the investigation process.

Rodney, George A.↗

DOE OSTI2020

Porosity and hydrophilicity modulated quaternary ammonium-based sorbents for CO 2 capture

Quaternary ammonium (QA)-based polymeric sorbents are known to be effective for CO 2 capture, especially from ultradilute streams like air. In this work, we address two major challenges in QA sorbent design for application in moisture-swing processes, porosity control and hydrophilicity modulation. Facilely substituting porous CO 2 -active components for non-porous ones can enhance the sorption kinetics by 4-fold compared to the state-of-art, and micro–mesoporous structures are identified as optimal porous structures. A method to modulate the hydrophilicity of QA-based sorbents is developed using controlled radical polymerization, incorporating fluorine-containing monomers. The CO 2 sorption capacity and the tolerance towards moisture are simultaneously enhanced via adjustment of the structure and the content of fluorine-containing blocks. Finally, we postulate that porosity and hydrophilicity optimization can make QA-based sorbents adaptive to deployment of scalable moisture-swing processes in varied and complex atmospheric circumstances.

42 ENGINEERING↗

DOE OSTI2022

Analytical solution for nonadiabatic quantum annealing to arbitrary Ising spin Hamiltonian

Abstract Ising spin Hamiltonians are often used to encode a computational problem in their ground states. Quantum Annealing (QA) computing searches for such a state by implementing a slow time-dependent evolution from an easy-to-prepare initial state to a low energy state of a target Ising Hamiltonian of quantum spins, H I . Here, we point to the existence of an analytical solution for such a problem for an arbitrary H I beyond the adiabatic limit for QA. This solution provides insights into the accuracy of nonadiabatic computations. Our QA protocol in the pseudo-adiabatic regime leads to a monotonic power-law suppression of nonadiabatic excitations with time T of QA, without any signature of a transition to a glass phase, which is usually characterized by a logarithmic energy relaxation. This behavior suggests that the energy relaxation can differ in classical and quantum spin glasses strongly, when it is assisted by external time-dependent fields. In specific cases of H I , the solution also shows a considerable quantum speedup in computations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Short-depth QAOA circuits and quantum annealing on higher-order ising models

Abstract We present a direct comparison between QAOA (Quantum Alternating Operator Ansatz), and QA (Quantum Annealing) on 127 qubit problem instances. QAOA with p = 1, 2 rounds is executed on the 127 qubit heavy-hex graph gate-model quantum computer ibm_washington, using on-device grid-searches for angle finding, and QA is executed on two Pegasus-chip D-Wave quantum annealers. The problems are random Ising models whose connectivity matches heavy-hex graphs and the Pegasus graph connectivity, and optionally include hardware-compatible cubic terms ( Z Z Z terms). The QAOA circuits are heavily optimized and of extremely short depth, with a CNOT depth of 6 per round, which allows whole chip usage of the heavy-hex lattice. QAOA and QA are both compared against simulated annealing and the optimal solutions are computed exactly using CPLEX. The noiseless mean QAOA expectation values for p = 1, 2 are computed using classical light-cone based simulations. We find QA outperforms QAOA on the evaluated devices.

127 qubits↗

DOE OSTI2025

Quantum annealing for combinatorial optimization: a benchmarking study

Quantum annealing (QA) has the potential to significantly improve solution quality and reduce time complexity in solving combinatorial optimization problems compared to classical optimization methods. However, due to the limited number of qubits and their connectivity, the QA hardware did not show such an advantage over classical methods in past benchmarking studies. Recent advancements in QA with more than 5000 qubits, enhanced qubit connectivity, and the hybrid architecture promise to realize the quantum advantage. Here, we use a quantum annealer with state-of-the-art techniques and benchmark its performance against classical solvers. To compare their performance, we solve over 50 optimization problem instances represented by large and dense Hamiltonian matrices using quantum and classical solvers. The results demonstrate that a state-of-the-art quantum solver has higher accuracy (~0.013%) and a significantly faster problem-solving time (~6561×) than the best classical solver. Our results highlight the advantages of leveraging QA over classical counterparts, particularly in hybrid configurations, for achieving high accuracy and substantially reduced problem solving time in large-scale real-world optimization problems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Energetic particle optimization of quasi-axisymmetric stellarator equilibria

Abstract An important goal of stellarator optimization is to achieve good confinement of energetic particles such as, in the case of a reactor, alphas created by deuterium–tritium fusion. In this work, a fixed-boundary stellarator equilibrium was re-optimized for energetic particle confinement via a two-step process: first, by minimizing deviations from quasi-axisymmetry (QA) on a single flux surface near the mid-radius, and secondly by maintaining this improved QA while minimizing the analytical quantity Γ C , which represents the angle between magnetic flux surfaces and contours of J | | , the second adiabatic invariant. This was performed multiple times, resulting in a group of equilibria with significantly reduced energetic particle losses, as evaluated by Monte Carlo simulations of alpha particles in scaled-up versions of the equilibria. This is the first time that energetic particle losses in a QA stellarator have successfully been reduced by optimizing Γ C . The relationship between energetic particle losses and metrics such as QA error ( E q a ) and Γ C in this set of equilibria were examined via statistical methods and a nearly linear relationship between volume-averaged Γ C and prompt particle losses was found.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

3D-equivariant graph neural networks for protein model quality assessment

Quality assessment (QA) of predicted protein tertiary structure models plays an important role in ranking and using them. With the recent development of deep learning end-to-end protein structure prediction techniques for generating highly confident tertiary structures for most proteins, it is important to explore corresponding QA strategies to evaluate and select the structural models predicted by them since these models have better quality and different properties than the models predicted by traditional tertiary structure prediction methods. We develop EnQA, a novel graph-based 3D-equivariant neural network method that is equivariant to rotation and translation of 3D objects to estimate the accuracy of protein structural models by leveraging the structural features acquired from the state-of-the-art tertiary structure prediction method—AlphaFold2. We train and test the method on both traditional model datasets (e.g. the datasets of the Critical Assessment of Techniques for Protein Structure Prediction) and a new dataset of high-quality structural models predicted only by AlphaFold2 for the proteins whose experimental structures were released recently. Our approach achieves state-of-the-art performance on protein structural models predicted by both traditional protein structure prediction methods and the latest end-to-end deep learning method—AlphaFold2. It performs even better than the model QA scores provided by AlphaFold2 itself. The results illustrate that the 3D-equivariant graph neural network is a promising approach to the evaluation of protein structural models. Integrating AlphaFold2 features with other complementary sequence and structural features is important for improving protein model QA.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Quantum/AI Topology-Aware Latency-Adaptive HPC Workflow Scheduling Optimization

The growing demand for more powerful high-performance computing (HPC) systems has led to a steady rise in energy consumption by supercomputing worldwide. This study is focused on comparing our Application-Topology Mapper (ATMapper) to the popular Simple Linux Utility for Resource Management (SLURM) for the purpose of exploring methods that can further optimize job-scheduling within HPC systems. ATMapper is an Artificial-Intelligence based approach to job-scheduling that is currently being enhanced with quantum annealing (QA) to generate optimal schedules faster. We are applying QA to speedup our ATMapper process to achieve higher computing efficiency, thereby reducing HPC energy consumption. Here, we examine how four job-scheduling approaches perform in processor node assignment when using an example network architecture of 4 interconnected nodes. Using a specialized script, we are assessing the schedule of a computation flow with 11 interdependent tasks. The data movements among nodes were tracked to count for the number of interactions (network hops) between nodes needed to complete the tasks. The total number of hops and the job completion time were then used to quantify the efficiency of the different mapping approaches. In addition to SLURM, we also compare our ATMapper to the QA-enabled LBNL TIGER and the D-Wave Distributed Computing processor assignment approaches. The preliminary results showed that our topology-aware, latency-adaptive ATMapper is significantly more efficient when compared to the other scheduling approaches due to its load-imbalance network allocation. The scheduler displayed a computing efficiency of 53% by performing significantly fewer network hops than its alternatives. By reducing the number of hops, ATMapper was able to perform all 11 tasks by using only 3 nodes out of given 4. This research indicates the potential to use QA/AI for HPC job-scheduling. Later, we will test a SLURM simulator program to draw further comparisons on the effectiveness of ATMapper's scheduling approach. The results of this comparison will serve as a baseline for later improving SLURM's performance using a QA-enhanced ATMapper approach.

Caraveo, Braulio [University of Huston - Clear Lak↗

DOE OSTI2021

A Full-length Quench Antenna for MQXFA Production Series Quadrupole Magnet Testing

The MQXFA production series quadrupoles being built for the Hi-Lumi (HL) LHC upgrade by the US Accelerator Upgrade Project (US-HL-LHC AUP) will have very limited instrumentation for characterizing quench events that occur during magnet training and performance validation testing. In order to understand the origin of the quenches, and whether they have some implication for ongoing magnet fabrication, it was decided to build a full-length Quench Antenna (QA) with axial resolution of 50mm to be employed during cold testing in the anticryostat used for magnetic measurements. The goal is to have fineresolution, full-length coverage detection of quench events axially, as well as to have azimuthal resolution on the order of the cable width (about 1 degree for the cross-section), in a device that can be used both for vertical and horizontal testing. To achieve this, a 5m long QA with 128 channels of high-speed data acquisition has been designed and fabricated. The cylindrical antenna features an array of 12 full-length, dipole- and quadrupole-bucked coils positioned radially in the QA interior for azimuthal localization, and over 100 individual channels of short, high-sensitivity, antennas etched as flexible PCB circuits (which also buck dipole and quadrupole fields) wrapped circumferentially on the cylinder exterior in steps of 50mm along the magnet length for axial detection. This report discusses the design, construction and analysis of the MQXFA QA, and first results from using the antenna during quench testing in the production magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗