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At least 217 records · Page 12

Effects of noise on the overparametrization of quantum neural networks

Overparametrization is one of the most surprising and notorious phenomena in machine learning. Recently, there have been several efforts to study if, and how, quantum neural networks (QNNs) acting in the absence of hardware noise can be overparametrized. In particular, it has been proposed that a QNN can be defined as overparametrized if it has enough parameters to explore all available directions in state space. That is, if the rank of the quantum Fisher information matrix (QFIM) for the QNN's output state is saturated. Here, we explore how the presence of noise affects the overparametrization phenomenon. Our results show that noise can “turn on” previously zero eigenvalues of the QFIM. This enables the parametrized state to explore directions that were otherwise inaccessible, thus potentially turning an overparametrized QNN into an underparametrized one. For small noise levels, the QNN is quasioverparametrized, as large eigenvalues coexists with small ones. Then, we prove that as the magnitude of noise increases all the eigenvalues of the QFIM become exponentially suppressed, indicating that the state becomes insensitive to any change in the parameters. As such, there is a pull-and-tug effect where noise can enable new directions but also suppress the sensitivity to parameter updates. Finally, our results imply that current QNN capacity measures are ill-defined when hardware noise is present. Published by the American Physical Society 2024

97 MATHEMATICS AND COMPUTING↗

Securing Inverter Communication: Proactive Intrusion Detection and Mitigation System to Tap, Analyze, and Act

The electric grid has undergone rapid, revolutionary changes in recent years; from the addition of advanced smart technologies to the growing penetration of distributed energy resources (DERs) to increased interconnectivity and communications. However, these added communications, access interfaces, and third-party software to enable autonomous control schemes and interconnectivity also expand the attack surface of the grid. To address the gap of DER cybersecurity and secure the grid-edge to motivate a holistic, defense-in-depth approach, a proactive intrusion detection and mitigation system (PIDMS) device was developed to secure PV smart inverter communications. The PIDMS was developed as a distributed, flexible bump-in-the-wire (BITW) solution for protecting PV smart inverter communications. Both cyber (network traffic) and physical (power system measurements) are processed using network intrusion monitoring tools and custom machinelearning algorithms for deep packet analysis and cyber-physical event correlation. The PIDMS not only detects abnormal events but also deploys mitigations to limit or eliminate system impact; the PIDMS communicates with peer PIDMSs at different locations using the MQTT protocol for increased situational awareness and alerting. The details of the PIDMS methodology and prototype development are detailed in this report as well as the evaluation results within a cyber-physical emulation environment and subsequent industry feedback.

14 SOLAR ENERGY↗

Characterization data of an (AlFeNiTiVZr) 1-x Cr x multi-principal element alloy continuous composition spread library

The data provided in this article is related to the research article entitled “Phase stabilization and oxidation of a continuous composition spread multi-principal element (AlFeNiTiVZr) 1-x Cr x alloy”. This data article describes the high-throughput synthesis and characterization processes of an (AlFeNiTiVZr) 1-x Cr x alloy system. Continuous composition spread (CCS) thin-film libraries were synthesized by co-depositing an AlFeNiTiVZr metal alloy target and Cr target via magnetron sputtering. Post-processing was performed on the sample libraries with a vacuum anneal at 873 K and an air anneal at 873 K. Compositional data was determined via WDS in order to verify parameters provided by an in-house sputter model. Crystallographic data was captured via synchrotron diffraction and diffractograms were compared as a function of the change in Cr concentration. These measurements were taken in order to observe phase behavior after oxidation throughout the composition library. Furthermore, vibrational spectrographic data is provided of the oxidized library to show surface speciation along the composition gradient of the alloy system. The structural and oxidative behavior of the (AlFeNiTiVZr) 1-x Cr x alloy can be analysed using the data provided in this article. Additionally, this characterization dataset can be utilized in machine learning algorithms for determining important features and parameters for future hypothesis generation of functional multi-principal element alloys (MPEAs).

36 MATERIALS SCIENCE↗

Microfabricated Ion Traps on Sapphire for Larger Trap Areas and Higher Qubit Count

Surface ion traps are a promising platform for quantum computing due to their potential to store large numbers of ions that can be addressed by electrical and optical control signals in order to implement quantum algorithms. Increasing the power of the quantum computer requires increasing the number of ions, but this poses a significant challenge in that it leads to a non-linear increase in on-chip power dissipation. The primary contributor to this power scaling in current devices is the capacitance between the radio frequency (RF) electrode and the metal plane that shields the silicon substrate from the RF signals applied to it. Silicon has traditionally been chosen for the substrate material for compatibility with the processing required for multi-metal-level traps. In this work, we address these capacitance and fabrication challenges by replacing the commonly used silicon substrate with an insulating sapphire substrate to fabricate a multi-metal-level ion trap, while still employing common semiconductor manufacturing techniques. This change in substrate allows the design to remove the metal shielding from the device design, reducing the capacitance of the RF electrode. The electrical characteristics of these traps were measured, specifically trap impedance, capacitance, and voltage breakdown, and compared to nearly identical silicon trap devices. Finally, we used laser cutting techniques to shape a sapphire wafer into bowtie shapes matching silicon traps previously fabricated at Sandia National Labs to explore solutions for integrating sapphire substrates into non-rectangular ion trap designs.

97 MATHEMATICS AND COMPUTING↗

LDRD Abbreviated report: High-Order General-Discrete-Ordinates Method Enabling Efficient Deterministic Transport in Hydrodynamic Simulations

Deterministic transport simulations for national-security and energy applications often operate in high-dimensional phase-space, where accuracy and cost both become major challenges. A common numerical artifact in such problems is the “ray-effect,” which appears as unphysical streaks. Beyond misinterpretation, these artifacts can contaminate tightly coupled physics, such as fluid dynamics, radiation-hydrodynamics, and laser-plasma interactions, eroding the predictive capability of entire multiphysics workflows. Our objective was to make high-dimension studies practical on modern hardware while mitigating the ray-effect without relying on prohibitively expensive sampling approaches such as Monte Carlo methods. We developed the Generic Discretization Library (GenDiL), a Graphics Processing Unit (GPU)-first framework that uses high-order Discontinuous Galerkin (DG) methods and matrix-free algorithms to reduce memory usage and improve computational efficiency, critical for phase-space simulations. GenDiL supports phase-space adaptivity in both mesh size and polynomial order (hp-adaptivity) to place resolution only where it is needed. A central capability is Local Dimensional Refinement (LDR), which couples lower-dimension continuum models to higher-dimension kinetic models through stable and conservative interfaces, so that high-fidelity physics is applied only in regions where it is essential. Building on the GenDiL framework, we developed the General SN (GSN) family of algorithms as a true generalization of the polar SN approach (discrete ordinates, often denoted SN). Rather than tying discrete ordinates to a specific polar change of coordinates, GSN formulates transport on an arbitrary change of coordinates chosen to reduce ray-effect. We studied two complementary variants: an analytic variant, where the coordinate map is prescribed in advance by a closed-form function; and a data-driven variant, where a quantity of interest, such as the net flux, guides the coordinate system. GenDiL provides the library infrastructure for efficient GPU execution, but the GSN concept is algorithmic and independent of any one library. Across representative high-dimension tests, including non-symmetric solutions, both variants delivered strong ray-effect mitigation at practical cost, moving four- to six-dimensional analysis toward repeatable, routine studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Detecting anomalous sequences in electronic health records using higher-order tensor networks

Detecting anomalous sequences is an integral part of building and protecting modern large-scale health information technology (HIT) systems. These HIT systems generate a large volume of records of patients’ state and significant events, which provide a valuable resource to help improve clinical decisions, patient care processes, and other issues. However, detecting anomalous sequences in electronic health records (EHR) remains a challenge in healthcare applications for several reasons, including imbalances in the data, complexity of relationships between events in the sequence, and the curse of dimensionality. Conventional anomaly detection methods use the finite sequence of events to discriminate sequences. They fail to incorporate salient event details under variable higher-order dependencies (e.g., duration between events) that can provide better discrimination of sequences in their models. To address this problem, we propose event sequence and subsequence anomaly detection algorithms that (1) use network-based representations of interactions in the data, (2) account for variable higher-order dependencies in the data, and (3) incorporate events duration for adequate discrimination of the data. The proposed approach identifies anomalies by monitoring the change in the graph after the test sequence is removed from the network. The change is quantified using graph distance metrics so that dramatic changes in the network can be attributed to the removed sequence. Furthermore, the proposed subsequence algorithm recommends plausible paths and salient information for the detected anomalous subsequences. Our results show that the proposed event sequence anomaly detection algorithm outperforms the baseline methods for both synthetic data and real-world EHR data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

An extended trajectory-mechanics approach for calculating two-phase flow paths

A technique originating in quantum dynamics is used to derive a trajectory-based, semi-analytical solution for two-phase flow. The partial differential equation governing the evolution of the aqueous phase is equivalent to a family of ordinary differential equations defined along a path through the porous medium. The trajectories may be found by solving the differential equations directly or by post-processing the output of a numerical solution to the full set of governing equations. The trajectories, which differ from conventional streamlines, are found to bend downward in response to gravitational forces. The curvature is more pronounced as the dip of the porous layer containing the flow increases. Subtle changes in the relative permeability curve can lead to significant variations in the trajectories. The ordinary differential equation for the trajectory provides an expression for the travel time along the path. The expression produces a semi-analytical approximation to the model parameter sensitivities, the partial derivatives of the travel times with respect to changes in the permeability model. The semi-analytical trajectory-based sensitivities generally agree with those computed using a numerical reservoir simulator and a perturbation approach. The sensitivities are useful in tomographic imaging algorithms designed to estimate the spatial variation in permeability within a porous medium using multiphase observations.

58 GEOSCIENCES↗

Evaluation and modification of ELM seasonal deciduous phenology against observations in a southern boreal peatland forest

Phenological transitions determine the timing of changes in land surface properties and the seasonality of exchanges of biosphere-atmosphere energy, water, and carbon. Accurate mechanistic modeling of phenological processes is therefore critical to understand and correctly predict terrestrial ecosystem feedbacks with changing atmospheric and climate conditions. However, the phenological components in the land model of the US Department of Energy's (DOE) Energy Exascale Earth System Model (ELM of E3SM) were previously unable to accurately capture the observed phenological responses to environmental conditions in a well-studied boreal peatland forest. In this research, we introduced new seasonal-deciduous phenology schemes into version 1.0 of ELM and evaluated their performance against the PhenoCam observations at the Spruce and Peatland Responses Under Changing Environments (SPRUCE) experiment in northern Minnesota from 2015 to 2018. We found that phenology simulated by the revised ELM (i.e., earlier spring onsets and stronger warming responses of spring onsets and autumn senescence) was closer to observations than simulations from the original algorithms for both the deciduous conifer (Larix laricina) and mixed shrub layers. Moreover, the revised ELM generally produced higher carbon and water fluxes (e.g., photosynthesis and evapotranspiration) during the growing season and stronger flux responses to warming than the default ELM. A parameter sensitivity analysis further indicated the significant contribution of phenology parameters to uncertainty in key carbon and water cycle variables, underscoring the importance of precise phenology parameterization. Furthermore, this phenological modeling effort demonstrates the potential to enhance the E3SM representation of land-climate interactions at broader spatiotemporal scales, especially under anticipated elevated CO 2 and warming conditions.

54 ENVIRONMENTAL SCIENCES↗

Online Learning and Pricing for Service Systems with Reusable Resources

We consider a price-based revenue management problem with finite reusable resources over a finite time horizon T. Customers arrive following a price-dependent Poisson process, and each customer requests one unit of c homogeneous reusable resources. If there is an available unit, the customer gets served within a price-dependent exponentially distributed service time; otherwise, the customer waits in a queue until the next available unit. In this paper, we assume that the firm does not know how the arrival and service rates depend on posted prices, and thus it makes adaptive pricing decisions in each period based only on past observations to maximize the cumulative revenue. Given a discrete price set with cardinality P, we propose two online learning algorithms, termed batch upper confidence bound (BUCB) and batch Thompson sampling (BTS), and prove that the cumulative regret upper bound is O˜(√PT) , which matches the regret lower bound. In establishing the regret, we bound the transient system performance upon price changes via a novel coupling argument, and also generalize bandits to accommodate subexponential rewards. Here, we also extend our approach to models with balking and reneging customers and discuss a continuous price setting. Our numerical experiments demonstrate the efficacy of the proposed BUCB and BTS algorithms.

97 MATHEMATICS AND COMPUTING↗

Information Leakage Analysis using a Co-design-Based Fault Injection Technique on a RISC-V Microprocessor

The RISC-V instruction set architecture open licensing policy has spawned a hive of development activity, making a range of implementations publicly available. The environments in which RISC-V operates have expanded correspondingly, driving the need for a generalized approach to evaluating the reliability of RISC-V implementations under adverse operating conditions or after normal wear-out periods. Fault injection (FI) refers to the process of changing the state of registers or wires, either permanently or momentarily, and then observing execution behavior. The analysis provides insight into the development of countermeasures that protect against the leakage or corruption of sensitive information which might occur because of unexpected execution behavior. In this paper, we develop a hardware-software co-design architecture that enables fast, configurable fault emulation and utilize it for information leakage and data corruption analysis. Modern System-on-chip FPGAs enable building an evaluation platform where control elements run on a processor(s) (PS) simultaneously with the target design running in the programmable logic (PL). Software components of the FI system introduce faults and report execution behavior. A pair of RISC-V FI-instrumented implementations are created and configured to execute the Advanced Encryption Standard and Twister algorithms. Key and plaintext information leakage and degraded pseudo-random sequences are both observed in the output for a subset of the emulated faults.

42 ENGINEERING↗

A phenology- and trend-based approach for accurate mapping of sea-level driven coastal forest retreat

The rapid replacement of upland forest by encroaching marshland is a striking manifestation of global sea-level rise (SLR). Timely and high-resolution information on the location and extent of transition forest (the ecotone between upland forest and marsh where tree mortality due to seawater intrusion begins) is fundamental to understanding the processes and patterns of SLR-driven landscape reorganization. Despite its significance, accurate characterization of salt-impacted transition forest remains challenging due to the complexity of coastal environments, scarcity of ground-truth data, and the lack of effective mapping algorithms. Here we use the full archive of Landsat images between 1984 and 2021 to investigate the spectral, temporal, and phenological characteristics of transition forest, and develop a robust framework for monitoring coastal vegetation shifts in the mid-Atlantic U.S., a global SLR hotspot. Here, we found that transition forest exhibits strong negative NDVI trends and a deviation of land surface phenology from marsh and upland forest that distinguishes itself from surrounding vegetation. By integrating temporal trends and land surface phenology, our results demonstrate superior discrimination between marsh and coastal forests to existing map products (e.g. NOAA Coastal Change Analysis Program, National Land Cover Database) that allows a reliable identification of the coastal treeline. We applied the approach to map regional land cover in 1985, 2000 and 2020 (overall classification accuracy >92%) and found that the area of coastal forest decreased by 22.0% from 1985 to 2020, the majority of which transitioned to marshland (92.3%, 5.3 × 10 3 ha). Based upon fine-scale patterns of coastal transgression, we created a practical workflow for spatially explicit quantification of forest retreat rates. Concurrent with rising sea level, coastal forests migrated upslope from 0.63 (± 0.27) m above sea level in 1985 to 0.78 (± 0.32) m above sea level in 2020, and horizontal forest retreat rates accelerated from 3.1 (range of 0–36) m yr -1 during 1985–2000 to 4.7 (0–55) m yr -1 during 2001–2020. As SLR continues to accelerate, our study may serve as a scalable solution for consistent tracking of coastal landscape evolution that is urgently needed for sustainable forest and wetland management.

54 ENVIRONMENTAL SCIENCES↗

Robust constrained tension control for high-precision roll-to-roll processes

Tension control is critical for maintaining good product quality in most roll-to-roll (R2R) production systems. Previous work has primarily focused on improving the disturbance rejection performance of tension controllers. Here, a robust linear parameter-varying model predictive control (LPV-MPC) scheme is designed to enhance the tension tracking performance of a pilot R2R system for deposition of materials used in flexible thin film applications. The performance of a tension controller may degrade due to disturbances associated with model uncertainties and the slowly-changing dynamics in R2R systems. We introduce a method that separately treats these two sources of disturbance. The controller utilizes an incremental model to eliminate the errors caused by the mismatch between the nominal model and the actual system. A tube-based MPC formulation combined with scheduled parameters adequately updates models and corrects for the time-varying dynamics. Constraints on the rated motor torque are incorporated in the MPC to maintain the controller reliability and avoid machine failures. We illustrate the operation of our control algorithm through simulation of an actual R2R system. The controller outperforms the benchmarks in terms of fast transient response and offset-free tension tracking. Furthermore, it also demonstrates immunity from variations due to parametric uncertainties.

42 ENGINEERING↗

The Application of a Genetic Algorithm to the Optimization of a Mesoscale Model for Emergency Response

Besides solving the equations of momentum, heat, and moisture transport on the model grid, mesoscale weather models must account for subgrid-scale processes that affect the resolved model variables. These are simulated with model parameterizations, which often rely on values preset by the user. Such “free” model parameters, along with others set to initialize the model, are often poorly constrained, requiring that a user select each from a range of plausible values. Finding the values to optimize any forecasting tool can be accomplished with a search algorithm, and one such process—the genetic algorithm (GA)—has become especially popular. As applied to modeling, GAs represent a Darwinian process: an ensemble of simulations is run with a different set of parameter values for each member, and the members subsequently judged to be most accurate are selected as “parents” who pass their parameters onto a new generation. At the U.S. Department of Energy’s Savannah River Site in South Carolina, we are applying a GA to the Regional Atmospheric Modeling System (RAMS) mesoscale weather model, which supplies input to a model to simulate the dispersion of an airborne contaminant as part of the site’s emergency response preparations. An ensemble of forecasts is run each day, weather data are used to “score” the individual members of the ensemble, and the parameters from the best members are used for the next day’s forecasts. As meteorological conditions change, the parameters change as well, maintaining a model configuration that is best adapted to atmospheric conditions. Significance Statement We wanted to develop a forecasting system by which a weather model is run over the Savannah River Site each day and repeatedly adjusted according to how well it performed the previous day. To run the model, a series of values (parameters) must be set to control how the model will calculate winds, temperatures, and other desired variables. Each day the model was run several times using different combinations of these parameters and later compared with observed meteorological conditions. Parameters that produced the most accurate forecasts were preferentially reused to create the forecasts for the next day. The process was tested for the summer of 2020 and exhibited lower errors than forecasts produced by the model using default values of the parameters.

54 ENVIRONMENTAL SCIENCES↗

Deployment of inference as a service at the US CMS Tier-2 data centers

Coprocessors, especially GPUs, will be a vital ingredient of data production workflows at the HL-LHC. At CMS, the GPU-as-a-service approach for production workflows is implemented by the SONIC project (Services for Optimized Network Inference on Coprocessors). SONIC provides a mechanism for outsourcing computationally demanding algorithms, such as neural network inference, to remote servers, where requests from multiple clients are intelligently distributed across multiple GPUs by a load-balancing service. This talk highlights the recent progress in deploying SONIC at selected U.S. CMS Tier-2 data centers. Using realistic CMS Run3 data processing workflows, such as those containing transformer-based algorithms, we demonstrate how SONIC is integrated into the production-like environment to enable accelerated inference offloading. We will present developments from both the client and server sides, including production job and data center configurations for NVIDIA and AMD GPUs. We will also present performance scaling benchmarks and discuss the challenges of operating SONIC in CMS production, such as server discovery, GPU saturation, fallback server logic, etc.

Holzman, Burt↗

A microfluidic study of transient flow states in permeable media using fluorescent particle image velocimetry

Velocity fields in flow in permeable media are of great importance to many subsurface processes such as geologic storage of CO 2 , oil and gas extraction, and geothermal systems. Steady-state flow is characterized by velocity fields that do not change significantly over time. The flow field transitions to a new steady state once it experiences a disturbance such as a change in flow rate or in pressure gradient. This transition is often assumed to be instantaneous, which justifies the expression of constitutive relations as functions of instantaneous phase saturations. This work examines the evolution of velocity fields in a surrogate quasi-2D permeable medium using a microfluidic device, a microscopy system, and a high-speed camera. Tracer particles are injected into the medium along with DI water. The evolution of the velocity field is examined by tracing these particles in the captured images using the standard high-density particle image velocimetry algorithm founded on cross-correlation. The results suggest that the transition between steady states for an incompressible fluid takes a finite and non-negligible amount of time that is independent of the magnitude of the change in pressure gradient. The existence of transient states and the nature of the response during these states are readily interpreted by the principle of least action where flow gradually establishes an optimal configuration such that energy dissipation is 2 minimized. The findings provide evidence against the applicability of the assumption that flowing phases relax instantaneously to their steady states and, hence, against the accuracy of the classical multiphase extension of Darcy's law.

42 ENGINEERING↗

Machine learning deciphers CO 2 sequestration and subsurface flowpaths from stream chemistry

Endmember mixing analysis (EMMA) is often used by hydrogeochemists to interpret the sources of stream solutes, but variations in stream concentrations and discharges remain difficult to explain. We discovered that machine learning can be used to highlight patterns in stream chemistry that reveal information about sources of solutes and subsurface groundwater flowpaths. The investigation has implications, in turn, for the balance of CO 2 in the atmosphere. For example, CO 2 -driven weathering of silicate minerals removes carbon from the atmosphere over ~106-year timescales. Weathering of another common mineral, pyrite, releases sulfuric acid that in turn causes dissolution of carbonates. In that process, however, CO 2 is released instead of sequestered from the atmosphere. Thus, understanding long-term global CO 2 sequestration by weathering requires quantification of CO 2 - versus H 2 SO 4 -driven reactions. Most researchers estimate such weathering fluxes from stream chemistry, but interpreting the reactant minerals and acids dissolved in streams has been fraught with difficulty. We apply a machine-learning technique to EMMA in three watersheds to determine the extent of mineral dissolution by each acid, without pre-defining the endmembers. The results show that the watersheds continuously or intermittently sequester CO 2 , but the extent of CO 2 drawdown is diminished in areas heavily affected by acid rain. Prior to applying the new algorithm, CO 2 drawdown was overestimated. The new technique, which elucidates the importance of different subsurface flowpaths and long-timescale changes in the watersheds, should have utility as a new EMMA for investigating water resources worldwide.

54 ENVIRONMENTAL SCIENCES↗

DISTRIBUTION TRANSFORMER ASSET MONITORING ON THE GRID EDGE USING SMART SENSOR DATA

As new loads such as rooftop photovoltaics, electric vehicles and other distributed energy resources become commonplace on the distribution grid, the stress on already aging assets begins to escalate. This increased loading and changing dynamics can exacerbate failure rates. While traditional monitoring efforts focus on transmission and generation assets, utilities are now beginning to pay close attention to distribution assets in order to increase reliability indices and reduce cost from unexpected outages. This research develops low-cost and scalable methods to monitoring the health of a critical distribution grid asset: the service transformer. Existing methods in literature are either invasive and thus difficult to implement or require the device to be tested offline in an expensive lab setting. Data from the ubiquitous smart meter as well as a novel Bluetooth based transformer monitor are leveraged to automatically notify the utility of deteriorating or damaged transformers. Voltage, temperature, and vibration are some of the signals measured and analyzed by the proposed algorithms to predict transformer failures. Furthermore, these algorithms are designed to keep the implementation and processing costs low by taking advantage of edge computing where possible.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Distributed Model Identification Algorithm for Multi-Agent Systems: Preprint

In this study, we investigate agent-based approach for system model identification with emphasis on power distribution system applications. Departing from conventional practices of relying on historical data for offline model identification, we adopt online update approach utilizing real-time data by employing the latest data points for gradient computation. This methodology offers advantages including a large reduction in the communication network's bandwidth requirements by minimizing the data exchanged at each iteration and enabling the model to adapt in real-time to disturbances. Furthermore, we extend our model identification process from linear frameworks to more complex non-linear convex models. This extension is validated through numerical studies demonstrating improved control performance for a synthetic IEEE test case.

data-driven control↗