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At least 577 records · Page 32

Implementation of a Novel Algorithm For Generating Synthetic CT Images From Magnetic Resonance Imaging Data Sets for Prostate Cancer Radiation Therapy

Purpose: To describe and evaluate a method for generating synthetic computed tomography (synCT) images from magnetic resonance simulation (MR-SIM) data for accurate digitally reconstructed radiograph (DRR) generation and dose calculations in prostate cancer radiation therapy. Methods and Materials: A retrospective evaluation was performed in 9 prostate cancer patients who had undergone MR-SIM in addition to CT simulation (CT-SIM). MR-SIM data were used to generate synCT images by using a novel, voxel-based weighted summation approach. A subset of patients was used for weight optimization, and the number of patients to use during optimization was determined. Hounsfield unit (HU) differences between CT-SIM and synCT images were analyzed via mean absolute error (MAE). Original, CT-based treatment plans were mapped onto synCTs. DRRs were generated, and agreement between CT and synCT-generated DRRs was evaluated via Dice similarity coefficient (DSC). Dose was recalculated, and dose-volume metrics and gamma analysis were used to evaluate resulting treatment plans. Results: Full field-of-view synCT MAE across all patients was 74.3 ± 10.9 HU with differences from CTs of 2.0 ± 8.1 HU and 11.9 ± 46.7 HU for soft tissue structures (prostate, bladder, and rectum) and femoral bones, respectively. Calculated DSCs for anterior-posterior and lateral DRRs were 0.90 ± 0.04 and 0.92 ± 0.05, respectively. Differences in D99%, mean dose, and maximum dose to the clinical target volume from CT-SIM dose calculations were 0.75% ± 0.35%, 0.63% ± 0.34%, and 0.54% ± 0.33%, respectively, for synCT-generated plans. Gamma analysis (2%/2 mm dose difference/distance to agreement) revealed pass rates of 99.9% ± 0.1% (range, 99.7%-100%). Conclusion: Generated synCTs enabled accurate DRR generation and dose computation for prostate MR-only simulation. Dose recalculated on synCTs agreed well with original planning distributions. Further validation using a larger patient cohort is warranted.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Computationally efficient models for aqueous organic redox flow batteries

The rising usage of intermittent energy has garnered the need for large scale energy storage systems. Redox flow batteries (RFB) based energy storage system shows promising potential. Numerical simulations and machine learning approaches have been widely used to study RFB performance. The development of autonomous material discovery framework and digital twin of energy storage system usually needs to query cell performance through fast response models. In this study, two computationally efficient models are introduced: a physics-based analytical flow battery model (EZBattery), and a machine learning operator model (Deep Operator Network, denoted by DeepONet). Both models can provide cell performance near instantly, and prediction accuracy was systematically examined on an application of evaluating the performances of a 780 cm 2 aqueous organic redox flow battery (AORFB), using potential anolyte candidates in dihydroxyphenazine (DHP)-based family of organic materials. A validated computationally expansive 3-dimensional multi-physics finite element model by COMSOL was used as the ground truth and provided the training data set for the DeepONet. 1280 samples were generated with 10 properties to mimic the different possible anolyte candidates, and the cell performances were evaluated under 10 different combined operating conditions. The accuracy comparisons for the two computationally efficient models show that both models can provide comparable accuracy in predicting cell charging/discharging voltage curves. DeepONet can provide slightly higher overall accuracy than EZBattery with faster calculation speed, but highly relies on the training dataset. EZBattery does not need a training dataset and can provide interpretable physics-based explanations of the results, while being more flexible to adjust to adapt any different cell designs, flow battery architectures, and electrolyte materials.

Analytical model↗

Automated Blazar Light Curves Using Machine Learning

Every night in a remote clearing called Fenton Hill high in the Jemez Mountains of central New Mexico, a bank of robotically controlled telescopes tilt their lenses to the sky for another round of observation through digital imaging. Los Alamos National Laboratory’s Thinking Telescopes project is watching for celestial transients including high-power cosmic flashes called, and like all science, it can be messy work. To keep the project clicking along, Los Alamos scientists routinely install equipment upgrades, maintain the site, and refine the sophisticated machinelearning computer programs that process those images and extract useful data from them. Each week the system amasses 100,000 digital images of the heavens, some of which are compromised by clouds, wind gusts, focus problems, and so on. For a graduate student at the Lab taking a year’s break between master’s and Ph.D. studies, working with state-of-the-art autonomous telescopes that can make fundamental discoveries feels light years beyond the classroom.

79 ASTRONOMY AND ASTROPHYSICS↗

Deep-learning-based workflow for boundary and small target segmentation in digital rock images using UNet++ and IK-EBM

We report three-dimensional (3D) X-ray micro-computed tomography (μCT) has been widely used in petroleum engineering because it can provide detailed pore structural information for a reservoir rock, which can be imported into a pore-scale numerical model to simulate the transport and distribution of multiple fluids in the pore space. The partial volume blurring (PVB) problem is a major challenge in segmenting raw μCT images of rock samples, which impacts boundaries and small targets near the resolution limit. We developed a deep-learning (DL)-based workflow for accurate and fast partial volume segmentation. The DL model's performance depends primarily on the training data quality and model architecture. This study employed the entropy-based-masking indicator kriging (IK-EBM) to segment 3D Berea sandstone images as training datasets. The comparison between IK-EBM and manual segmentation using a 3D synthetic sphere pack, which had a known ground truth, showed that IK-EBM had higher accuracy on partial volume segmentation. We then trained and tested the UNet++ model, a state-of-the-art supervised encoder-decoder model, for binary (i.e., void and solid) and four-class segmentation. We compared the UNet++ with the commonly used U-Net and wide U-Net models and showed that the UNet++ had the best performance in terms of pixel-wise and physics-based evaluation metrics. Specifically, boundary-scaled accuracy demonstrated that the UNet++ architecture outperformed the regular U-Net architecture in the segmentation of pixels near boundaries and small targets, which were subjected to the PVB effect. Feature map visualization illustrated that the UNet++ bridged the semantic gaps between the feature maps extracted at different depths of the network, thereby enabling faster convergence and more accurate extraction of fine-scale features. The developed workflow significantly enhances the performance of supervised encoder-decoder models in partial volume segmentation, which has extensive applications in fundamental studies of subsurface energy, water, and environmental systems.

02 PETROLEUM↗

The Silver Lining

Clouds are shareable scientific instruments that create the potential for reproducibility by ensuring that all investigators have access to a common execution platform on which computational experiments can be repeated and compared. By virtue of the interface they present, they also lead to the creation of digital artifacts compatible with the cloud, such as images or orchestration templates, that go a long way-and sometimes all the way-to representing an experiment in a digital, repeatable form. In this article, I describe how we developed these natural advantages of clouds in the Chameleon testbed and argue that we should leverage them to create a digital research marketplace that would make repeating experiments as natural and viable part of research as sharing ideas via reading papers is today.

Cloud computing↗

Support for the Core Research Activities and Studies of the Computer Science and Telecommunications Board (DE-SC0020446 Final Technical Report)

Supported the core operations of the National Academies' Computer Science and Telecommunications Board (CSTB). Helped support planning and conducting of board meetings, identification of priority topics in computer science and other areas of computing and communications technologies, and oversight for CSTB's portfolio of studies and convenings. Activities shaped and overseen included: a workshop on Al for scientific discovery; collaborative work with other Academies units on a study on foundational research gaps and future directions for digital twins; a study on current capabilities, future prospects, and governance of facial recognition technologies, a study on post- exascale computing; a study on fostering responsible computing research, collaborative work with other Academies units on automated research workflows for accelerated scientific discovery; a study on meeting federal cybersecurity workforce needs, and a study of the ecosystem driving information technology innovation.

97 MATHEMATICS AND COMPUTING↗

Quantum computer-enabled receivers for optical communication

Abstract Optical communication is the standard for high-bandwidth information transfer in today’s digital age. The increasing demand for bandwidth has led to the maturation of coherent transceivers that use phase- and amplitude-modulated optical signals to encode more bits of information per transmitted pulse. Such encoding schemes achieve higher information density, but also require more complicated receivers to discriminate the signaling states. In fact, achieving the ultimate limit of optical communication capacity, especially in the low light regime, requires coherent joint detection of multiple pulses. Despite their superiority, such joint detection receivers are not in widespread use because of the difficulty of constructing them in the optical domain. In this work we describe how optomechanical transduction of phase information from coherent optical pulses to superconducting qubit states followed by the execution of trained short-depth variational quantum circuits can perform joint detection of communication codewords with error probabilities that surpass all classical, individual pulse detection receivers. Importantly, we utilize a model of optomechanical transduction that captures non-idealities such as thermal noise and loss in order to understand the transduction performance necessary to achieve a quantum advantage with such a scheme. We also execute the trained variational circuits on an IBM-Q device with the modeled transduced states as input to demonstrate that a quantum advantage is possible even with current levels of quantum computing hardware noise.

97 MATHEMATICS AND COMPUTING↗

Final Technical Report on Quantifying Dependability Attributes of Software Based Safety Critical Instrumentation and Control Systems in Nuclear Power Plants

With the current transition from analog to digital instrumentation and control systems in nuclear power plants, the number and variety of software-based systems have significantly increased. The sophisticated nature and increasing complexity of software raises trust in these systems as a significant challenge. The trust placed in a software system is typically termed software dependability. Software dependability analysis faces uncommon challenges since software systems’ characteristics differ from those of hardware systems. The lack of systematic science-based methods for quantifying the dependability attributes in software-based instrumentation as well as control systems in safety critical applications has proved itself to be a significant inhibitor to the expanded use of modern digital technology in the nuclear industry. Dependability refers to the ability of a system to deliver a service that can be trusted. Dependability is commonly considered as a general concept that encompasses different attributes, e.g., reliability, safety, security, availability and maintainability. Dependability research has progressed significantly over the last few decades. For example, various assessment models and/or design approaches have been proposed for software reliability, software availability and software maintainability. Advances have also been made to integrate multiple dependability attributes, e.g., integrating security with other dependability attributes, measuring availability and maintainability, modeling reliability and availability, quantifying reliability and security, exploring the dependencies between security and safety and developing integrated analysis models. However, there is still a lack of understanding of the dependencies between various dependability attributes as a whole and of how such dependencies are formed. To address the need for quantification and give a more objective basis to the review process -- therefore reducing regulatory uncertainty -- measures and methods are needed to assess dependability attributes early on, as well as throughout the life-cycle process of software development. In this research, extensive expert opinion elicitation is used to identify the measures and methods for assessing software dependability. Semi-structured questionnaires were designed to elicit expert knowledge. A new notation system, Causal Mechanism Graphing, was developed to extract and represent such knowledge. The Causal Mechanism Graphs were merged, thus, obtaining the consensus knowledge shared by the domain experts. In this report, we focus on how software contributes to dependability. However, software dependability is not discussed separately from the context of systems or socio-technical systems. Specifically, this report focuses on software dependability, reliability, safety, security, availability, and maintainability. Our research was conducted in the sequence of stages found below. Each stage is further examined in its corresponding chapter. Stage 1 (Chapter 2): Elicitation of causal maps describing the dependencies between dependability attributes. These causal maps were constructed using expert opinion elicitation. This chapter describes the expert opinion elicitation process, the questionnaire design, the causal map construction method and the causal maps obtained. Stage 2 (Chapter 3): Elicitation of the causal map describing the occurrence of the event of interest for each dependability attribute. The causal mechanisms for the “event of interest” were extracted for each of the software dependability attributes. The “event of interest” for a dependability attribute is generally considered to be the “attribute failure”, e.g. security failure. The extraction was based on the analysis of expert elicitation results obtained in Stage 1. Stage 3 (Chapter 4): Identification of relevant measurements. Measures for the “events of interest” and their causal mechanisms were obtained from expert opinion elicitation for each of the software dependability attributes. The measures extracted are presented in this chapter. Stage 4 (Chapter 5): Assessment of the coverage of the causal maps via measures. Coverage was assessed to determine whether the measures obtained were sufficient to quantify software dependability, and what measures are further required. Stage 5 (Chapter 6): Identification of “missing” measures and measurement approaches for concepts not covered. New measures, for concepts that had not been covered sufficiently as determined in Stage 4, were identified using supplementary expert opinion elicitation as well as literature reviews. Stage 6 (Chapter 7): Building of a detailed quantification model based on the causal maps and measurements obtained. Ability to derive such a quantification model shows that the causal models and measurements derived from the previous stages (Stage 1 to Stage 5) can form the technical basis for developing dependability quantification models. Scope restrictions have led us to prioritize this demonstration effort. The demonstration was focused on a critical system, i.e. the reactor protection system. For this system, a ranking of the software dependability attributes by nuclear stakeholders was developed. As expected for this application, the stakeholder ranking identified safety as the most critical attribute to be quantified. A safety quantification model limited to the requirements phase of development was built. Two case studies were conducted for verification. A preliminary control gate for software safety for the requirements stage was proposed and applied to the first case study. The control gate allows a cost effective selection of the duration of the requirements phase.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Multifidelity validation of digital surrogates using variable-density turbulent mixing models

In this study, ensembles of experimental data are presented and utilized to compare and validate two models used in the simulation of variable-density (Atwood = 0.22), compressible turbulent mixing. Though models of this kind (Reynolds averaged NavierStokes and large-eddy simulations) have been validated extensively with more canonical flows in previous studies, here the present approach offers novelty in the complexity of the geometry, the ensemble-based validation, and the uniformity of the computational framework on which the models are tested. Moreover, all experimental and computational tasks were completed by the authors which has led to a tightly coupled experimental configuration with its “digital twin.” The experimental divergent-shock-tube facility and its data acquisition methods are described and replicated in simulation space. A 2D Euler model which neglects the turbulent mixing at the interface is optimized to experimental data using a Gaussian process. This model then serves as the basis for both the 2D RANS and 3D LES studies that make comparisons to the mixing-layer data from the experiment. A relatively simple RANS model is shown to produce good agreement with experimental data only at late flow development times. The LES ensembles generally show good agreement with experimental data but display sensitivity to the characterization of initial conditions. Resolution-dependent behavior is also observed for certain higher-order statistics of interest. Overall, the LES model successfully captures the effects of divergent geometry, compressibility, and combined nonlinear instabilities inherent to the problem. The successful prediction of mixing width and its growth rate highlight the existence of three distinct regimes in the development of the instability, each with similarities to previously studied instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Estimation of full-field dynamic strains from digital video measurements of output-only beam structures by video motion processing and modal superposition

Strain is an necessary quantity to characterize local structural behaviors and directly correlates with structural damage initiation and development that is within local regions. Strain measurement at high spatial resolution (density) locations is thus required to characterize local structural behaviors and detect potential local damage. Traditional contact-type strain gauges are mostly discrete point-wise sensors that can only be placed in a limited number of positions. Distributed optical fiber sensing techniques can measure strains at spatially dense measurement points, but their instrumentation is a time- and labor-intensive process associated with the issue of the fragility of fibers. Noncontact optical measurement techniques, such as a family of interferometry techniques using laser beams (e.g., laser Doppler vibrometers), can provide vibration measurement at high density spatial points without the need to install sensors on the structure. Yet, these measurement devices are active sensing methods that are relatively expensive and vulnerable to ambient motion. Photogrammetry is an alternative noncontact optical measurement method using (passive) white-light imaging of digital video cameras that are relatively low-cost, agile, and provides simultaneous measurements at high spatial density locations where every pixel becomes a measurement point. Among others, digital image correlation can achieve full-field deformation measurements and subsequently estimate the full-field strains. However, it is computationally extensive. This research develops a new efficient approach to estimate the full-field (as many measurement points as the pixel number of the video frame on the structure) dynamic strains at high-spatial (pixel)-resolution/density location points from the digital video measurement of output-only vibrating structures. The developed approach is based on phase-based video motion estimation and modal superposition of structural dynamic response. Moreover, the method is augmented by a high-fidelity finite element model, which is updated with the full-field experimental modal parameters “blindly” identified from the video measurement of the output-only structure. Laboratory experiments are conducted to validate the method on a bench-scale cantilever beam structure. Results demonstrate that the full-field dynamic strain estimated by the developed approach from the video measurement of the output-only vibrating beam match very well those directly measured by the strain gauges (at discrete measurement points). Some factors associated with the effectiveness of the method are experimentally studied and discussed.

47 OTHER INSTRUMENTATION↗

Deformable Image Registration for Adaptive Radiation Therapy of Head and Neck Cancer: Accuracy and Precision in the Presence of Tumor Changes

Purpose: To compare deformable image registration (DIR) accuracy and precision for normal and tumor tissues in head and neck cancer patients during the course of radiation therapy (RT). Methods and Materials: Thirteen patients with oropharyngeal tumors, who underwent submucosal implantation of small gold markers (average 6, range 4-10) around the tumor and were treated with RT were retrospectively selected. Two observers identified 15 anatomical features (landmarks) representative of normal tissues in the planning computed tomography (pCT) scan and in weekly cone beam CTs (CBCTs). Gold markers were digitally removed after semiautomatic identification in pCTs and CBCTs. Subsequently, landmarks and gold markers on pCT were propagated to CBCTs, using a b-spline-based DIR and, for comparison, rigid registration (RR). To account for observer variability, the pair-wise difference analysis of variance method was applied. DIR accuracy (systematic error) and precision (random error) for landmarks and gold markers were quantified. Time trend of the precisions for RR and DIR over the weekly CBCTs were evaluated. Results: DIR accuracies were submillimeter and similar for normal and tumor tissue. DIR precision (1 SD) on the other hand was significantly different (P<.01), with 2.2 mm vector length in normal tissue versus 3.3 mm in tumor tissue. No significant time trend in DIR precision was found for normal tissue, whereas in tumor, DIR precision was significantly (P<.009) degraded during the course of treatment by 0.21 mm/week. Conclusions: DIR for tumor registration proved to be less precise than that for normal tissues due to limited contrast and complex non-elastic tumor response. Caution should therefore be exercised when applying DIR for tumor changes in adaptive procedures.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Antiferromagnetic Spin Wave Field-Effect Transistor

In a collinear antiferromagnet with easy-axis anisotropy, symmetry dictates that the spin wave modes must be doubly degenerate. Theses two modes, distinguished by their opposite polarization and available only in antiferromagnets, give rise to a novel degree of freedom to encode and process information. We show that the spin wave polarization can be manipulated by an electric field induced Dzyaloshinskii-Moriya interaction and magnetic anisotropy. We propose a prototype spin wave field effect transistor which realizes a gate-tunable magnonic analog of the Faraday effect, and demonstrate its application in THz signal modulation. In conclusion, our findings open up the exciting possibility of digital data processing utilizing antiferromagnetic spin waves and enable the direct projection of optical computing concepts onto the mesoscopic scale.

36 MATERIALS SCIENCE↗

Digital Twin of an ANPC inverter with integrated Design-For-Trust

Reducing costs and increasing manufacturing output while creating reliable products are three essential components needed to keep a business competitive. In the past, having an asset that could address these three challenges at the same time would be challenging. However, recent advances in computer processing capabilities coupled with increases to network speeds allowed such a system to become possible; and this is known as a Digital Twin (DT), which represents a virtual copy of a production system or a product. Here, this work exhibits a DT application of an Active Neutral Point Clamped (ANPC) inverter using a controller. The controller emulates the ANPC responses of a new Digital Signal Processing (DSP) firmware and validates this new firmware by using Design-For-Trust (DFTr) characteristics. If the new firmware is malicious, then it should be rejected, thus adding preemptive protection measures for inverter based distributed energy resources.

cybersecurity↗

Switching Dynamics in Vanadium Dioxide-Based Stochastic Thermal Neurons

We report on switching dynamics of individual and coupled vanadium dioxide (VO 2 ) devices subject to voltage pulses as the temperature is systematically varied from room temperature spanning the insulator–metal transition (IMT) temperature. The switching voltage of single devices has a strong relationship with both temperature and voltage pulsewidth. Two-step switching in connected VO 2 devices has been noted in current transient plots and was found to depend on temperature, pulsewidth, and pulse amplitude. Experimental switching behavior measured from VO 2 artificial neurons was implemented into a spiking neural network (SNN). During training, modulating the switching voltage via temperature affords a novel method to implement homeostasis with the coupled devices. Simulation results show the efficacy of the stochastic neuronal characteristics and the proposed homeostasis mechanism on a standard digit recognition task. As a result, these studies contribute to ongoing efforts in neuromorphic computing exploiting collective phase transitions.

42 ENGINEERING↗

Surrogate Modeling of Nonlinear Dynamic Systems: A Comparative Study

Surrogate models play a vital role in overcoming the computational challenge in designing and analyzing nonlinear dynamic systems, especially in the presence of uncertainty. This paper presents a comparative study of different surrogate modeling techniques for nonlinear dynamic systems. Four surrogate modeling methods, namely, Gaussian process (GP) regression, a long short-term memory (LSTM) network, a convolutional neural network (CNN) with LSTM (CNN-LSTM), and a CNN with bidirectional LSTM (CNN-BLSTM), are studied and compared. All these model types can predict the future behavior of dynamic systems over long periods based on training data from relatively short periods. The multi-dimensional inputs of surrogate models are organized in a nonlinear autoregressive exogenous model (NARX) scheme to enable recursive prediction over long periods, where current predictions replace inputs from the previous time window. Three numerical examples, including one mathematical example and two nonlinear engineering analysis models, are used to compare the performance of the four surrogate modeling techniques. The results show that the GP-NARX surrogate model tends to have more stable performance than the other three deep learning (DL)-based methods for the three particular examples studied. The tuning effort of GP-NARX is also much lower than its deep learning-based counterparts.

42 ENGINEERING↗

Neuromorphic ionic computing in droplet interface synapses

Ionic devices with memory capabilities can emulate neural functionality, enabling neuromorphic computing and biomedical applications. In this study, we report an ionic spiking synapse based on aqueous droplet interface bilayer assembly. Under stepwise triangular voltages, the device displays coupled memcapacitive-memristive behavior, showing noncrossing pinched hysteretic I-V loops. This hysteretic ion dynamics can be regulated by modifying bilayer components, reconstituting protein channels, or adjusting droplet assembly configuration. Droplet interface synapses (DIS) exhibit fundamental neuromorphic behaviors such as paired-pulse facilitation/depression, spike rate–dependent plasticity, Hebbian learning, and short-term associative learning under classical conditioning. We also used reservoir computing with DIS to implement two learning algorithms: a classification algorithm that recognizes handwritten digits and a reinforcement learning algorithm that learns to play a board game of tic-tac-toe.

Li, Zhongwu [Lawrence Livermore National Laborator↗

Enhancing disease surveillance with novel data streams: challenges and opportunities

Novel data streams (NDS), such as web search data or social media updates, hold promise for enhancing the capabilities of public health surveillance. In this paper, we outline a conceptual framework for integrating NDS into current public health surveillance. Our approach focuses on two key questions: What are the opportunities for using NDS and what are the minimal tests of validity and utility that must be applied when using NDS? Identifying these opportunities will necessitate the involvement of public health authorities and an appreciation of the diversity of objectives and scales across agencies at different levels (local, state, national, international). We present the case that clearly articulating surveillance objectives and systematically evaluating NDS and comparing the performance of NDS to existing surveillance data and alternative NDS data is critical and has not sufficiently been addressed in many applications of NDS currently in the literature.

60 APPLIED LIFE SCIENCES↗

Aerodynamic Data Fusion Toward the Digital Twin Paradigm

This paper considers the fusion of two aerodynamic data sets originating from differing types of physical or computer experiments. This paper specifically addresses the fusion of 1) noisy and in-complete fields from wind-tunnel measurements and 2) deterministic but biased fields from numerical simulations. These two data sources are fused in order to estimate the true field that best matches measured quantities that serve as the ground truth. For example, two sources of pressure fields about an aircraft are fused based on measured forces and moments from a wind-tunnel experiment. A fundamental challenge in this problem is that the true field is unknown and cannot be estimated with 100% certainty. A Bayesian framework is employed to infer the true fields conditioned on measured quantities of interest; essentially a statistical correction to the data is performed. The fused data may then be used to construct more accurate surrogate models suitable for early stages of aerospace design. An extension of the proper orthogonal decomposition with constraints is also introduced to solve the same problem. In this work, both methods are demonstrated on fusing the pressure distributions for flow past the RAE2822 airfoil and the Common Research Model wing at transonic conditions. Comparison of both methods reveals that the Bayesian method is more robust when data are scarce and capable of also accounting for uncertainties in the data. Furthermore, given adequate data, the proper-orthogonal-decomposition-based and Bayesian approaches lead to surprisingly similar results.

42 ENGINEERING↗