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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

miss-SNF: a multimodal patient similarity network integration approach to handle completely missing data sources

Abstract Motivation Precision medicine leverages patient-specific multimodal data to improve prevention, diagnosis, prognosis, and treatment of diseases. Advancing precision medicine requires the non-trivial integration of complex, heterogeneous, and potentially high-dimensional data sources, such as multi-omics and clinical data. In the literature, several approaches have been proposed to manage missing data, but are usually limited to the recovery of subsets of features for a subset of patients. A largely overlooked problem is the integration of multiple sources of data when one or more of them are completely missing for a subset of patients, a relatively common condition in clinical practice. Results We propose miss-Similarity Network Fusion (miss-SNF), a novel general-purpose data integration approach designed to manage completely missing data in the context of patient similarity networks. miss-SNF integrates incomplete unimodal patient similarity networks by leveraging a non-linear message-passing strategy borrowed from the SNF algorithm. miss-SNF is able to recover missing patient similarities and is “task agnostic”, in the sense that can integrate partial data for both unsupervised and supervised prediction tasks. Experimental analyses on nine cancer datasets from The Cancer Genome Atlas (TCGA) demonstrate that miss-SNF achieves state-of-the-art results in recovering similarities and in identifying patients subgroups enriched in clinically relevant variables and having differential survival. Moreover, amputation experiments show that miss-SNF supervised prediction of cancer clinical outcomes and Alzheimer’s disease diagnosis with completely missing data achieves results comparable to those obtained when all the data are available. Availability and implementation miss-SNF code, implemented in R, is available at https://github.com/AnacletoLAB/missSNF.

Biochemistry & Molecular Biology

The performance of missing transverse momentum reconstruction and its significance with the ATLAS detector using 140 $\hbox {fb}^{-1}$ of $\sqrt{s}=13$ TeV pp collisions

This paper presents the reconstruction of missing transverse momentum ($p_{\text {T}}^{\text {miss}}$ ) in proton–proton collisions, at a center-of-mass energy of 13 TeV. This is a challenging task involving many detector inputs, combining fully calibrated electrons, muons, photons, hadronically decaying $\tau$ -leptons, hadronic jets, and soft activity from remaining tracks. Possible double counting of momentum is avoided by applying a signal ambiguity resolution procedure which rejects detector inputs that have already been used. Several $p_{\text {T}}^{\text {miss}}$ ‘working points’ are defined with varying stringency of selections, the tightest improving the resolution at high pile-up by up to 39% compared to the loosest. The $p_{\text {T}}^{\text {miss}}$ performance is evaluated using data and Monte Carlo simulation, with an emphasis on understanding the impact of pile-up, primarily using events consistent with leptonic Z decays. The studies use $140~\text {fb}^{-1}$ of data, collected by the ATLAS experiment at the Large Hadron Collider between 2015 and 2018. The results demonstrate that $p_{\text {T}}^{\text {miss}}$ reconstruction, and its associated significance, are well understood and reliably modelled by simulation. Finally, the systematic uncertainties on the soft $p_{\text {T}}^{\text {miss}}$ component are calculated. After various improvements the scale and resolution uncertainties are reduced by up to 76% and 51%, respectively, compared to the previous calculation at a lower luminosity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Improving missing transverse momentum estimation with a deep neural network

At hadron colliders, the net transverse momentum of particles that do not interact with the detector (missing transverse momentum, $^→_𝑝$$^{miss}_{T}$) is a crucial observable in many analyses. In the standard model, $^→_𝑝$$^{miss}_{T}$ originates from neutrinos. Many beyond-the-standard-model particles, such as dark matter candidates, are also expected to leave the experimental apparatus undetected. This paper presents a novel deep neural network based $^→_𝑝$$^{miss}_{T}$ estimator, DeepMET, developed by the CMS Collaboration at the LHC. The DeepMET algorithm produces a weight for each reconstructed particle based on its properties. The estimator is based on the negative vector sum of the weighted transverse momenta of all reconstructed particles in an event. Compared with other estimators currently employed by CMS, DeepMET improves the $^→_𝑝$$^{miss}_{T}$ resolution by 10%–30%, shows improvement for a wide range of final states, is easier to train, and is more resilient against the effects of additional proton-proton interactions accompanying the collision of interest.

artificial neural networks

Filling the Gaps: A Bayesian Mixture Model for Imputing Missing Soil Water Content Data

ABSTRACT Soil water content (SWC) data are central to evaluating how soil moisture varies over time and space and influences critical plant and ecosystem functions, especially in water‐limited drylands. However, sensors that record SWC at high frequencies often malfunction, leading to incomplete timeseries and limiting our understanding of dryland ecosystem dynamics. We developed an analytical approach to impute missing SWC data, which we tested at six eddy flux tower sites along an elevation gradient in the southwestern United States. We impute missing data as a mixture of linearly interpolated SWC between the observed endpoints of a missing data gap and SWC simulated by an ecosystem water balance model (SOILWAT2). Within a Bayesian framework, we allowed the relative utility (mixture weight) of each component (linearly interpolated vs. SOILWAT2) to vary by depth, site and gap characteristics. We explored “fixed” weights versus “dynamic” weights that vary as a function of cumulative precipitation, average temperature, and time since the start of the gap. Both models estimated missing SWC data well ( R 2 = 0.70–0.88 vs. 0.75–0.91 for fixed vs. dynamic weights, respectively), but the utility of linearly interpolated versus SOILWAT2 values depended on site and depth. SOILWAT2 was more useful for more arid sites, shallower depths, longer and warmer gaps and gaps that received greater precipitation. Overall, the mixture model reliably gap‐fills SWC, while lending insight into processes governing SWC dynamics. This approach to impute missing data could be adapted to accommodate more than two mixture components and other types of environmental timeseries.

Ogle, Kiona [School of Informatics, Computing, and

Denoising Autoencoder for Reconstructing Sensor Observation Data and Predicting Evapotranspiration: Noisy and Missing Values Repair and Uncertainty Quantification

Abstract Machine learning (ML) methods applied in scientific research often deal with interrelated features in high‐dimensional data. Reducing data noise and redundancy is needed to increase prediction accuracy and efficiency especially when dealing with data from field sensors. We explored an unsupervised learning method, the denoising autoencoder (DAE), to extract the underlying data structure from noisy raw data in the context of predicting hydrologic quantities from multiple field sensors. These sensors have intrinsic instrumental noise and occasional malfunctions that cause missing values. Our DAE neural network reconstructed meteorological sensor data containing noise and missing values to predict evapotranspiration in a mountainous watershed. The DAE reconstructed the sensor variables with a mean coefficient of determination value of 0.77 across 15 dimensions representing individual sensors. It reduced variance and bias uncertainties compared to a classical autoencoder model. The reconstruction quality varied across dimensions depending on their cross‐correlation and alignment with the underlying data structure. Uncertainties arising from the model structure were overall higher than those resulting from data corruption. We attached the DAE structure to a downstream ET‐prediction neural network in three formats and achieved reasonably accurate ET predictions . The use of the DAE notably reduced variance uncertainty in ET prediction. However, excessive variance reduction may be accompanied by an increase in bias due to the intrinsic bias‐variance tradeoff. Our method of evaluating and reducing uncertainties in aggregated data from different sources can be used to improve predictive models, process understanding, and uncertainty quantification for better water resource management. Plain Language Summary We present a machine learning method, namely the denoising autoencoder, which reduces the effects of data noise and missing values typically present in scientific data sets collected through sensor measurements. This method selects the most relevant information from noisy raw data collected by the instruments and fills in missing values. To demonstrate the effectiveness of our method, we applied it to predict evapotranspiration, a hydrologic variable that represents the water moved from the land surface to the atmosphere through a combination of evaporation and plant water use (transpiration). We also used a random sampling technique (the Monte Carlo method) to compare the uncertainty in the predictions when using the raw and noisy data versus the reconstructed data. The denoising process produced more accurate predictions of evapotranspiration with less uncertainty. Improved predictions of evapotranspiration can lead to a better understanding and accounting of water budgets. This ML approach is broadly suitable for a wide variety of applications that involve noisy sensor data with missing values. Key Points We used a denoising autoencoder (DAE) neural network to reduce noise in meteorological and soil sensor observations by on average We used Monte Carlo sampling to estimate the bias and variance of all model outputs, including uncertainty sources from data and the model We attached the DAE component to a downstream neural network to predict ET with the variance reduced by , compared to that without the DAE

denoising autoencoder

Predicting Large‐Scale Systematic Missing Pipe Attributes in Water Distribution Networks

Water distribution network (WDN) models are an essential tool used by water utilities for hydraulic analysis. Unfortunately, missing data and insufficient resources often make creating and maintaining these models unfeasible. Existing methods to address missing pipe properties, like sequential imputation for missing values and reconstruction using graph metrics, are designed to accommodate random patterns of missing information and require a significant percentage of the system's attributes to be known. However, these data completeness assumptions do not always align with real‐world scenarios where large sections of the WDN model have missing data. To address this challenge, this study proposes a data‐driven approach for estimating pipe diameter when considering different spatial patterns and degrees of data completeness (i.e., 0%–90%). Using data from 16 WDNs in Kentucky, this study compares the use of machine learning (ML) using topological and geospatial features against an existing deterministic approach. Results demonstrate that WDN models with pipe diameters predicted by the proposed ML method had comparable hydraulic performance to the ground truth models. Moreover, results showed that ML method performance varies between WDNs of differing topological classification. Insights from this study help advance the ability to leverage partial data to create and maintain WDN models amid uncertainty and inadequate resources.

Poff, Jason W. [Oregon State Univ., Corvallis, OR

Predicting Missing Regions in Charged Particle Tracks Using a Sparse 3D Convolutional Neural Network

The 2x2 Demonstrator is a prototype of ND-LAr, the liquid argon time-projection chamber of the Deep Underground Neutrino Experiment’s Near Detector complex. Both the 2x2 Demonstrator and ND-LAr are modular detectors that will have pixelated charge readouts and inactive regions wherein there is no sensitivity to charge deposition and light signals that arise from charged particle interactions with liquid argon. In the 2x2, these inactive regions are located in between the active detector modules, which introduces the challenge of inferring what charge signals ought to look like in these regions. This study explores the use of a Sparse 3D Convolutional Neural Network (ConvNet) to infer missing regions in charged particle tracks. Hits corresponding to energy depositions are voxelized into a three-dimensional grid for each track. Voxels that fall into predefined inactive regions are removed to simulate the lack of detector output. The model is trained to infer the topology of the missing track voxels, with the ultimate goal of inferring the missing charge or energy values in these voxels as well. Results indicate that this approach shows promise in prediction of missing track regions with some accuracy.

Utaegbulam, Hilary

An Attractive Way to Correct for Missing Singles Excitations in Unitary Coupled Cluster Doubles Theory

Coupled cluster methods based exclusively on double excitations are comparatively “cheap” and interesting model chemistries, as they are typically able to capture the bulk of the dynamic electron correlation effects. The trade-off in such approximations is that the effect of neglected excitations, particularly single excitations, can be considerable. Using standard and electron-pair-restricted T 2 operators to define two flavors of unitary coupled cluster doubles (UCCD) methods, we investigate the extent to which missing single excitations can be recovered from low-order corrections in many-body perturbation theory (MBPT) within the unitary coupled cluster (UCC) formalism. Here, our analysis includes the derivations of finite-order UCC energy functionals, which are used as a basis to define perturbative estimates of missed single excitations. This leads to the novel UCCD[4S] and UCCD[6S] methods, which consider energy corrections for missing single excitations through fourth- and sixth-order in MBPT, respectively. We also apply the same methodology to the electron-pair-restricted ansatz, but the improvements are only marginal. Our findings show that augmenting UCCD with these post hoc perturbative corrections can lead to UCCSD-quality results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Multitaper Magnitude‐Squared Coherence for Time Series With Missing Data: Understanding Oscillatory Processes Traced by Multiple Observables

To explore the hypothesis of a common source of variability in two time series, observers may estimate the magnitude-squared coherence (MSC), which is a frequency-domain view of the cross correlation. For time series that do not have uniform observing cadence, MSC can be estimated using Welch's overlapping segment averaging. However, multitaper has superior statistical properties to Welch's method in terms of the tradeoff between bias, variance, and bandwidth. The classical multitaper technique has recently been extended to accommodate time series with underlying uniform observing cadence from which some observations are missing. This situation is common for solar and geomagnetic data sets, which may have gaps due to breaks in satellite coverage, instrument downtime, or poor observing conditions. We demonstrate the scientific use of missing-data multitaper magnitude-squared coherence by detecting known solar mid-term oscillations in simultaneous, missing-data time series of solar Lyman α flux and geomagnetic Disturbance Storm Time index. Due to their superior statistical properties, we recommend that multitaper methods be used for all heliospheric time series with underlying uniform observing cadence.

Astro-statistics techniques (1886)

First Measurement of Missing Energy due to Nuclear Effects in Monoenergetic Neutrino Charged-Current Interactions

We present the first measurement of the missing energy due to nuclear effects in monoenergetic, muon neutrino charged-current interactions on carbon, originating from 𝐾 + → 𝜇 + ⁢𝜈 𝜇 decay at rest (𝐸 𝜈 𝜇 = 235.5 MeV), performed with the J-PARC Sterile Neutrino Search at the J-PARC Spallation Neutron Source liquid scintillator based experiment. Toward characterizing the neutrino interaction, ostensibly 𝜈 𝜇 ⁢𝑛 → 𝜇 − ⁢𝑝 or 𝜈 𝜇 ⁢ 12 C → 𝜇 − ⁢ 12 N, we define the missing energy as the energy transferred to the nucleus (𝜔) minus the kinetic energy of the outgoing proton(s), 𝐸 𝑚 ≡ 𝜔−∑ 𝑇 𝑝 , and relate this to visible energy in the detector, 𝐸 𝑚 = 𝐸 𝜈 𝜇 ⁡(235.5 MeV) − 𝑚 𝜇⁡ (105.7 MeV) + [𝑚 𝑛 − 𝑚 𝑝⁡ (1.3 MeV)] − 𝐸 vis . The missing energy, which is naively expected to be zero in the absence of nuclear effects (e.g., nucleon separation energy, Fermi momenta, and final-state interactions), is uniquely sensitive to many aspects of the interaction, and has previously been inaccessible with neutrinos. The shape-only, differential cross section measurement reported, based on a (77 ± 3)% pure double-coincidence kaon decay-at-rest signal (621 total events), provides detailed insight into neutrino-nucleus interactions, allowing even the nuclear orbital shell of the struck nucleon to be inferred. The measurement provides an important benchmark for models and event generators at hundreds of MeV neutrino energies, characterized by the difficult-to-model transition region between neutrino-nucleus and neutrino-nucleon scattering, and relevant for applications in nuclear physics, neutrino oscillation measurements, and Type-II supernova studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Statistical Performance of Forced Oscillation Detectors in the Presence of Missing Measurements

In bulk power systems, measurement-based monitoring for large oscillations can help maintain system reliability. One of the challenges encountered in a recent field demonstration was the unavailability of measurements due to underlying measurement quality or communication problems. During the demonstration, the oscillation detector ignored a measurement location if even 10 seconds of data was missing. To extend the detector's ability to operate in these conditions, this paper evaluates the impact of three methods for addressing missing data. The strengths and weaknesses of each approach are evaluated using theoretical expressions for the probability of detection along with results from simulated data and publicly available field measurements. Based on these results, a suitable approach is identified that can extend the oscillation detector's performance when large segments of data are missing.

Follum, James D.

Data and scripts from: “Denoising autoencoder for reconstructing sensor observation data and predicting evapotranspiration: noisy and missing values repair and uncertainty quantification”

This data package includes data and scripts from the manuscript “Denoising autoencoder for reconstructing sensor observation data and predicting evapotranspiration: noisy and missing values repair and uncertainty quantification”.The study addressed common challenges faced in environmental sensing and modeling, including uncertain input data, missing sensor observations, and high-dimensional datasets with interrelated but redundant variables. Point-scaled meteorological and soil sensor observations were perturbed with noises and missing values, and denoising autoencoder (DAE) neural networks were developed to reconstruct the perturbed data and further predict evapotranspiration. This study concluded that (1) the reconstruction quality of each variable depends on its cross-correlation and alignment to the underlying data structure, (2) uncertainties from the models were overall stronger than those from the data corruption, and (3) there was a tradeoff between reducing bias and reducing variance when evaluating the uncertainty of the machine learning models.This package includes:(1) Four ipython scripts (.ipynb): “DAE_train.ipynb” trains and evaluates DAE neural networks, “DAE_predict.ipynb” makes predictions from the trained DAE models, “ET_train.ipynb” trains and evaluates ET prediction neural networks, and “ET_predict.ipynb” makes predictions from trained ET models.(2) One python file (.py): “methods.py” includes all user-defined functions and python codes used in the ipython scripts.(3) A “sub_models” folder that includes five trained DAE neural networks (in pytorch format, .pt), which could be used to ingest input data before being fed to the downstream ET models in ‘ET_train.ipynb” or ‘ET_predict.ipynb’.(4) Two data files (.csv). Daily meteorological, vegetation, and soil data is in “df_data.csv”, where “df_meta.csv” contains the location and time information of “df_data.csv”. Each row (index) in “df_meta.csv” corresponds to each row in “df_data.csv”. These data files are formatted to follow the data structure requirements and be directly used in the ipython scripts, and they have been shuffled chronologically to train machine learning models. The meteorological and soil data was collected using point sensors between 2019-2023 at(4.a) Three shrub-dominated field sites in East River, Colorado (named “ph1”, “ph2” and “sg5” in “df_meta.csv”, where “ph1” and “ph2” were located at PumpHouse Hillslopes, and “sg5” was at Snodgrass Mountain meadow) and(4.b) One outdoor, mesoscale, and herbaceous-dominated experiment in Berkeley, California (named “tb” in “df_meta.csv”, short for Smartsoils Testbed at Lawrence Berkeley National Lab).- See "df_data_dd.csv" and "df_meta_dd.csv" for variable descriptions and the Methods section for additional data processing steps. See "flmd.csv" and "README.txt" for brief file descriptions.- All ipython scripts and python files are written in and require PYTHON language software.

54 ENVIRONMENTAL SCIENCES

Predicting Missing Regions in Charged Particle Tracks Using a Sparse 3D Convolutional Neural Network

The 2x2 Demonstrator is a prototype detector for the Deep Underground Neutrino Experiment (DUNE)'s Near Detector. Both the 2x2 Demonstrator and the Near Detector itself will have inactive regions wherein there is no sensitivity to charge deposition and light signals that arise from charged particle interactions with liquid argon. In the 2x2, these inactive regions are positioned in-between the active detector modules, which introduces the challenge of inferring what charge signals ought to look like in these regions. This study explores the use of a Sparse 3D Convolutional Neural Network (ConvNet) to infer missing regions in charged particle tracks. Hits corresponding to energy depositions are voxelized into a three-dimensional (3D) grid for each track. Inactive regions within the tracks are replaced with a dense, rectangular 3D grid of voxels, ensuring consistent step sizes in X, Y, and Z directions. Voxels in these dense regions are initialized with an energy value of -1, indicating nonphysical energy or charge. The model is trained to predict which voxels should activate as part of the track and which should not, with the goal of eventually inferring the missing charge or energy values in these voxels. Results indicate that the model accurately predicts track voxels within ±1 unit in X, Y, or Z directions and effectively identifies non-track voxels, despite some overprediction. The approach shows promise in prediction of missing track regions with some accuracy.

43 PARTICLE ACCELERATORS

Neutronic Effects of Missing Elements in the Annular Core Research Reactor (ACRR)

Neutronic effects of ACRR operating with a missing element are analyzed using MCNP. Results are focused on assessing the peaking factors associated with a single missing element. Intra-element power gradients are also assessed. A missing tri-element is evaluated as unique case. Auxiliary studies are provided that analyze the effects of cavity buckets, rod positions, and reflector elements. Neutronic effects of a nearby FREC-II (coupled and decoupled/tilted) are presented for select scenarios.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Predicting Missing Regions in Charged Particle Tracks Using a Sparse 3D Convolutional Neural Network

The 2x2 Demonstrator is a prototype detector for the Deep Underground Neutrino Experiment (DUNE)'s Near Detector. Both the 2x2 Demonstrator and the Near Detector itself will have inactive regions wherein there is no sensitivity to charge deposition and light signals that arise from charged particle interactions with liquid argon. In the 2x2, these inactive regions are positioned in-between the active detector modules, which introduces the challenge of inferring what charge signals ought to look like in these regions. This study explores the use of a Sparse 3D Convolutional Neural Network (ConvNet) to infer missing regions in charged particle tracks. Hits corresponding to energy depositions are voxelized into a three-dimensional (3D) grid for each track. Inactive regions within the tracks are replaced with a dense, rectangular 3D grid of voxels, ensuring consistent step sizes in X, Y, and Z directions. Voxels in these dense regions are initialized with an energy value of -1, indicating nonphysical energy or charge. The model is trained to predict which voxels should activate as part of the track and which should not, with the goal of eventually inferring the missing charge or energy values in these voxels. Results indicate that the model accurately predicts track voxels within 1 unit in X, Y, or Z directions and effectively identifies non-track voxels, despite some overprediction. The approach shows promise in prediction of missing track regions with some accuracy.

Utaegbulam, Hilary

A study of the 2H(e, e ' p)X reaction at large 4-momentum transfers and high missing momenta

The short-range region (r < 1 fm) of the nucleon-nucleon potential may be studied via deuteron electro-disintegration. Such an experiment was done at Hall C of Jefferson Lab at 4-momentum transfers of Q^2 = 4.07 (GeV/c)^2 and reaching missing momenta up to 900 MeV/c. At such settings, complications arising from Meson Exchange Currents (MEC) and Isobar Currents are expected to be signifi cantly minimized, as well as Final State Interactions (FSI) at recoiling angles of ¿_Xq ~ 40 deg. This makes comparisons of experimental and theoretical cross sections less model dependent. A luminosity study was done to determine the reduction of liquid deuterium targets with increasing beam current. A 2.8% in the charge yield was found between 0 to 70 µA. Electron scattering from the walls of the target chamber was determined to be negligible, but caution was taken by considering scattering events away from the walls. A neutron was found to be contained in the missing mass spectrum for each missing momentum setting. Extraction of the deuteron total cross section is still on going.

Love, Shawn [California State Univ. (CalState), Lo

Cross-aldol condensation on missing linker sites of metal–organic framework UiO-66

Missing linkers induce coordinatively unsaturated Lewis acid-base pair sites in metal–organic frameworks such as UiO-66 (Zr). The Lewis acid-base pair is induced by replacing the benzene dicarboxylic acid linker with formic acid, which subsequently is thermally decomposed. The concentration of coordinatively unsaturated Zr 4+ cations was titrated with acetone. In parallel to their concentration, the catalytic activity increased while the selectivity for aldol condensation between furfural and acetone remained constant. The missing linkers generate a complex ensemble consisting of an (at least partly) accessible Zr 4+ cation surrounded by oxygen, catalyzing the cross-aldol condensation. As a result, density functional theory calculations, matching the experimental findings provide a more detailed understanding of the elementary steps during the condensation reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Negative fluxes and cell-miss errors in the random ray method

The random ray method is a recently developed stochastic method for solving neutral particle transport problems based on the method of characteristics. Perhaps surprisingly for a characteristics-based method using flat sources, we note that the random ray method can produce negative fluxes which may be numerically troublesome in several situations. These occur most severely in fixed source problems where the source is in a region with a small cross section. Additionally, we briefly discuss another source of bias which can occur in similar situations, namely a ray missing a mesh with a strong source and small cross section, resulting in the entirety of the source being unphysically deposited locally. This paper describes the mechanism by which negative fluxes may occur and several different methods to mitigate their effects. These fixes are tested on an eigenvalue problem, a ‘fusion-like’ shielding problem, and a shielding problem featuring an adjoint calculation. Even when extremely coarse random ray quadratures are used such that 20%–30% of cells are missed during a given iteration, use of the preferred fix technique ensures local flux tally errors remain trivial (below 1%). The preferred fix is now the default option in SCONE and OpenMC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS