Residual strain, a tensor quantity, is a critical material property that impacts the overall performance of metal parts. Neutron Bragg edge strain tomography is a technique for imaging residual strain that works by making conventional hyperspectral computed tomography measurements, extracting the average projected strain at each detector pixel, and processing the resulting strain sinogram using a reconstruction algorithm. However, the reconstruction is severely ill-posed as the underlying inverse problem involves inferring a tensor at each voxel from scalar sinogram data.In this paper, we introduce the model-oriented neutron strain tomographic reconstruction (MONSTR) algorithm that reconstructs the 2D residual strain tensor from the neutron Bragg edge strain measurements. MONSTR is based on using the multi-agent consensus equilibrium framework for the tensor tomographic reconstruction. Specifically, we formulate the reconstruction as a consensus solution of a collection of agents representing detector physics, the tomographic reconstruction process, and physics-based constraints from continuum mechanics. Using simulated data, we demonstrate high-quality reconstruction of the strain tensor even when using very few measurements.

Ptychography uses overlapping X-ray diffraction measurements to perform nanometer-scale imaging of objects. Practical illumination sources for ptychography, such as synchrotrons, are not fully coherent, so they exhibit multiple modes. To address this, blind multi-mode ptychography algorithms have been developed that jointly estimate the image along with the multiple probe modes. However, commonly used algorithms, such as DM and SHARP, use a single global estimate of the probe state that does not allow for local spatial variation in the probe.In this paper, we compare a distributed probe state version of the BM-PMACE algorithm to a global probe state version of BM-PMACE as well as to DM and SHARP. Importantly, distributed state BM-PMACE maintains a location-specific probe state that captures spatially varying probe aberrations. Using measured data, we demonstrate that the distributed probe state improves both convergence speed and final image quality compared to the global state algorithms.

X-ray computed tomography (CT) reconstructs the internal morphology of a three dimensional object from a collection of projection images, most commonly using a single rotation axis. However, for objects containing dense materials like metal, the use of a single rotation axis may leave some regions of the object obscured by the metal, even though projections from other rotation axes (or poses) might contain complementary information that would better resolve these obscured regions. In this paper, we propose pixel-weighted Multi-pose Fusion to reduce metal artifacts by fusing the information from complementary measurement poses into a single reconstruction. Our method uses Multi-Agent Consensus Equilibrium (MACE), an extension of Plug-and-Play, as a framework for integrating projection data from different poses. A primary novelty of the proposed method is that the output of different MACE agents are fused in a pixel-weighted manner to minimize the effects of metal throughout the reconstruction. Using real CT data on an object with and without metal inserts, we demonstrate that the proposed pixel-weighted Multi-pose Fusion method significantly reduces metal artifacts relative to single-pose reconstructions.

Neutron computed tomography (nCT) is a 3D char-acterization technique used to image the internal morphology or chemical composition of samples in biology and materials sciences. A typical workflow involves placing the sample in the path of a neutron beam, acquiring projection data at a predefined set of orientations, and processing the resulting data using an analytic reconstruction algorithm. Typical nCT scans require hours to days to complete and are then processed using conventional filtered back-projection (FBP), which performs poorly with sparse views or noisy data. Hence, the main methods in order to reduce overall acquisition time are the use of an improved sampling strategy combined with the use of advanced reconstruction methods such as model-based iterative reconstruction (MBIR). In this paper, we propose an adaptive orientation selection method in which an MBIR reconstruction on previously-acquired measurements is used to define an objective function on orientations that balances a data-fitting term promoting edge alignment and a regularization term promoting orientation diversity. Using simulated and experimental data, we demonstrate that our method produces high-quality reconstructions using significantly fewer total measurements than the conventional approach.

Non-destructive characterization of multi-layered structures that can be accessed from only a single side is important for applications such as well-bore integrity inspection. Existing methods related to Synthetic Aperture Focusing Technique (SAFT) rapidly produce acceptable results but with significant artifacts. Recently, ultrasound model-based iterative reconstruction (UMBIR) approaches have shown significant improvements over SAFT. However, even these methods produce ringing artifacts due to the high fractional-bandwidth of the excitation signal.In this paper, we propose a ringing artifact reduction method for ultrasound image reconstruction that uses a multi-agent consensus equilibrium (RARE-MACE) framework. Our approach integrates a physics-based forward model that accounts for the propagation of a collimated ultrasonic beam in multi-layered media, a spatially varying image prior, and a denoiser designed to suppress the ringing artifacts that are characteristic of reconstructions from high-fractional bandwidth ultrasound sensor data. We test our method on simulated and experimental measurements and show substantial improvements in image quality compared to SAFT and UMBIR.

Hyperspectral neutron tomography is an effective method for analyzing crystalline material samples with complex compositions in a non-destructive manner. Since the counts in the hyperspectral neutron radiographs directly depend on the neutron cross-sections, materials may exhibit contrasting neutron responses across wavelengths. Therefore, it is possible to extract the unique signatures associated with each material and use them to separate the crystalline phases simultaneously.We introduce an autonomous material decomposition (AMD) algorithm to automatically characterize and localize polycrystalline structures using Bragg edges with contrasting neutron responses from hyperspectral data. The algorithm estimates the linear attenuation coefficient spectra from the measured radiographs and then uses these spectra to perform polycrystalline material decomposition and reconstructs 3D material volumes to localize materials in the spatial domain. Our results demonstrate that the method can accurately estimate both the linear attenuation coefficient spectra and associated reconstructions on both simulated and experimental neutron data.

As computational tools for X-ray computed tomography (CT) become more quantitatively accurate, knowledge of the source-detector spectral response is critical for quantitative system-independent reconstruction and material characterization capabilities. Directly measuring the spectral response of a CT system is hard, which motivates spectral estimation using transmission data obtained from a collection of known homogeneous objects. However, the associated inverse problem is ill-conditioned, making accurate estimation of the spectrum challenging, particularly in the absence of a close initial guess.In this paper, we describe a dictionary-based spectral estimation method that yields accurate results without the need for any initial estimate of the spectral response. Our method utilizes a MAP estimation framework that combines a physics-based forward model along with an L0sparsity constraint and a simplex constraint on the dictionary coefficients. Our method uses a greedy support selection method and a new pair-wise iterated coordinate descent method to compute the above estimate. We demonstrate that our dictionary-based method outperforms a state-of-the-art method as shown in a cross-validation experiment on four real datasets collected at beamline 8.3.2 of the Advanced Light Source (ALS).

Collimated beam ultrasound systems are a novel technology for imaging inside multi-layered structures such as geothermal wells. Such systems include a transmitter and multiple receivers to capture reflected signals. Common algorithms for ultrasound reconstruction use delay-and-sum (DAS) approaches; these have low computational complexity but produce inaccurate images in the presence of complex structures and specialized geometries such as collimated beams.In this paper, we propose a multi-layer, ultrasonic, model-based iterative reconstruction algorithm designed for collimated beam systems. We introduce a physics-based forward model to accurately ac-count for the propagation of a collimated ultrasonic beam in multi-layer media and describe an efficient implementation using binary search. We model direct arrival signals, detector noise, and a spatially varying image prior, then cast the reconstruction as a maximum a posteriori estimation problem. Using simulated and experimental data we obtain significantly fewer artifacts relative to DAS while running in near real time using commodity compute resources.

We develop a method for obtaining safe initial policies for reinforcement learning via approximate dynamic programming (ADP) techniques for uncertain systems evolving with discrete-time dynamics. We employ the kernelized Lipschitz estimation to learn multiplier matrices that are used in semidefinite programming frameworks for computing admissible initial control policies with provably high probability. Such admissible controllers enable safe initialization and constraint enforcement while providing exponential stability of the equilibrium of the closed-loop system.

There is an increasing need to reconstruct objects in four or more dimensions corresponding to space, time and other independent parameters. The best 4D reconstruction algorithms use regularized iterative reconstruction approaches such as model based iterative reconstruction (MBIR), which depends critically on the quality of the prior modeling. Recently, Plug-and-Play methods have been shown to be an effective way to incorporate advanced prior models using state-of-the-art denoising algorithms designed to remove additive white Gaussian noise (AWGN). However, state-of-the-art denoising algorithms such as BM4D and deep convolutional neural networks (CNNs) are primarily available for 2D and sometimes 3D images. In particular, CNNs are difficult and computationally expensive to implement in four or more dimensions, and training may be impossible if there is no associated high-dimensional training data.In this paper, we present Multi-Slice Fusion, a novel algorithm for 4D and higher-dimensional reconstruction, based on the fusion of multiple low-dimensional denoisers. Our approach uses multi-agent consensus equilibrium (MACE), an extension of Plug-and-Play, as a framework for integrating the multiple lower-dimensional prior models. We apply our method to the problem of 4D cone-beam X-ray CT reconstruction for Non Destructive Evaluation (NDE) of moving parts. This is done by solving the MACE equations using lower-dimensional CNN denoisers implemented in parallel on a heterogeneous cluster. Results on experimental CT data demonstrate that Multi-Slice Fusion can substantially improve the quality of reconstructions relative to traditional 4D priors, while also being practical to implement and train.

Computed tomography (CT) image reconstruction is a crucial technique for many imaging applications. Among various reconstruction methods, Model-Based Iterative Reconstruction (MBIR) enables super-resolution with superior image quality. MBIR, however, has a high memory requirement that limits the achievable image resolution, and the parallelization for MBIR suffers from limited scalability. In this paper, we propose Asynchronous Consensus MBIR (AC-MBIR) that uses Consensus Equilibrium (CE) to provide a super-resolution algorithm with a small memory footprint, low communication overhead and a high scalability. Super-resolution experiments show that AC-MBIR has a 6.8 times smaller memory footprint and 16 times more scalability, compared with the state-of-the-art MBIR implementation, and maintains a 100% strong scaling efficiency at 146880 cores. In addition, AC-MBIR achieves an average bandwidth of 3.5 petabytes per second at 587520 cores.

Regularized inversion methods for image reconstruction are used widely due to their tractability and their ability to combine complex physical sensor models with useful regularity criteria. Such methods motivated the recently developed Plug-and-Play prior method, which provides a framework to use advanced denoising algorithms as regularizers in inversion. However, the need to formulate regularized inversion as the solution to an optimization problem limits the expressiveness of possible regularity conditions and physical sensor models. In this paper, we introduce the idea of consensus equilibrium (CE), which generalizes regularized inversion to include a much wider variety of both forward (or data fidelity) components and prior (or regularity) components without the need for either to be expressed using a cost function. CE is based on the solution of a set of equilibrium equations that balance data fit and regularity. In this framework, the problem of MAP estimation in regularized inversion is replaced by the problem of solving these equilibrium equations, which can be approached in multiple ways. The key contribution of CE is to provide a novel framework for fusing multiple heterogeneous models of physical sensors or models learned from data. We describe the derivation of the CE equations and prove that the solution of the CE equations generalizes the standard MAP estimate under appropriate circumstances. We also discuss algorithms for solving the CE equations, including a version of the Douglas--Rachford/alternating direction method of multipliers algorithm with a novel form of preconditioning and Newton's method, both standard form and a Jacobian-free form using Krylov subspaces. We give several examples to illustrate the idea of CE and the convergence properties of these algorithms and demonstrate this method on some toy problems and on a denoising example in which we use an array of convolutional neural network denoisers, none of which is tuned to match the noise level in a noisy image but which in consensus can achieve a better result than any of them individually.

This model-based design of experiments (MBDOE) method determines the input magnitudes of an experimental stimuli to apply and the associated measurements that should be taken to optimally constrain the uncertain dynamics of a biological system under study. The ideal global solution for this experiment design problem is generally computationally intractable because of parametric uncertainties in the mathematical model of the biological system. Others have addressed this issue by limiting the solution to a local estimate of the model parameters. Here we present an approach that is independent of the local parameter constraint. This approach is made computationally efficient and tractable by the use of: (1) sparse grid interpolation that approximates the biological system dynamics, (2) representative parameters that uniformly represent the data-consistent dynamical space, and (3) probability weights of the represented experimentally distinguishable dynamics. Our approach identifies data-consistent representative parameters using sparse grid interpolants, constructs the optimal input sequence from a greedy search, and defines the associated optimal measurements using a scenario tree. We explore the optimality of this MBDOE algorithm using a 3-dimensional Hes1 model and a 19-dimensional T-cell receptor model. The 19-dimensional T-cell model also demonstrates the MBDOE algorithm's scalability to higher dimensions. In both cases, the dynamical uncertainty region that bounds the trajectories of the target system states were reduced by as much as 86% and 99% respectively after completing the designed experiments in silico. Our results suggest that for resolving dynamical uncertainty, the ability to design an input sequence paired with its associated measurements is particularly important when limited by the number of measurements.

In many applications, it is critical to be able to sample the most informative pixels of an image first; and then once these pixels are sampled, the highest fidelity image can be reconstructed. Optimized sampling strategies generally fall into two categories: static and dynamic. In dynamic sampling, each new sample is chosen by using information obtained from previous samples. In this way, dynamic sampling offers the potential of much greater fidelity, but at the cost of greater complexity. Existing methods for dynamic non-uniform sampling of images are based on the intuition that sampling rates should be greatest in locations of greatest variation, but recent developments in the theory of optimal experimental design offer a theoretical framework for optimal sampling based on the use of a formal Bayesian prior model. In this paper, we introduce a fast dynamic image sampling framework based on Bayesian experimental design (BED). The method, which we call model-based dynamic sampling (MBDS) allows for the use of a general prior distribution for the image, and it incorporates a pixel-wise sampling constraint in the BED framework. The MBDS works by first generating L stochastic samples (i.e., images) from the posterior distribution given the current measurements, and then selecting the pixel with the greatest posterior variance. We also introduce a computationally efficient method for computing the stochastic samples through a local updating technique.

Discovery in developmental biology is often driven by intuition that relies on the integration of multiple types of data such as fluorescent images, phenotypes, and the outcomes of biochemical assays. Mathematical modeling helps elucidate the biological mechanisms at play as the networks become increasingly large and complex. However, the available data is frequently under-utilized due to incompatibility with quantitative model tuning techniques. This is the case for stem cell regulation mechanisms explored in the Drosophila germarium through fluorescent immunohistochemistry. To enable better integration of biological data with modeling in this and similar situations, we have developed a general parameter estimation process to quantitatively optimize models with qualitative data. The process employs a modified version of the Optimal Scaling method from social and behavioral sciences, and multi-objective optimization to evaluate the trade-off between fitting different datasets (e.g. wild type vs. mutant). Using only published imaging data in the germarium, we first evaluated support for a published intracellular regulatory network by considering alternative connections of the same regulatory players. Simply screening networks against wild type data identified hundreds of feasible alternatives. Of these, five parsimonious variants were found and compared by multi-objective analysis including mutant data and dynamic constraints. With these data, the current model is supported over the alternatives, but support for a biochemically observed feedback element is weak (i.e. these data do not measure the feedback effect well). When also comparing new hypothetical models, the available data do not discriminate. To begin addressing the limitations in data, we performed a model-based experiment design and provide recommendations for experiments to refine model parameters and discriminate increasingly complex hypotheses.

Computational approaches to tune the activation of intracellular signal transduction pathways both predictably and selectively will enable researchers to explore and interrogate cell biology with unprecedented precision. Techniques to control complex nonlinear systems typically involve the application of control theory to a descriptive mathematical model. For cellular processes, however, measurement assays tend to be too time consuming for real-time feedback control and models offer rough approximations of the biological reality, thus limiting their utility when considered in isolation. We overcome these problems by combining nonlinear model predictive control with a novel adaptive weighting algorithm that blends predictions from multiple models to derive a compromise open-loop control sequence. The proposed strategy uses weight maps to inform the controller of the tendency for models to differ in their ability to accurately reproduce the system dynamics under different experimental perturbations (i.e. control inputs). These maps, which characterize the changing model likelihoods over the admissible control input space, are constructed using preexisting experimental data and used to produce a model-based open-loop control framework. In effect, the proposed method designs a sequence of control inputs that force the signaling dynamics along a predefined temporal response without measurement feedback while mitigating the effects of model uncertainty. We demonstrate this technique on the well-known Erk/MAPK signaling pathway in T cells. In silico assessment demonstrates that this approach successfully reduces target tracking error by 52% or better when compared with single model-based controllers and non-adaptive multiple model-based controllers. In vitro implementation of the proposed approach in Jurkat cells confirms a 63% reduction in tracking error when compared with the best of the single-model controllers. This study provides an experimentally-corroborated control methodology that utilizes the knowledge encoded within multiple mathematical models of intracellular signaling to design control inputs that effectively direct cell behavior in open-loop.

Mathematical models of mitochondrial bioenergetics provide powerful analytical tools to help interpret experimental data and facilitate experimental design for elucidating the supporting biochemical and physical processes. As a next step towards constructing a complete physiologically faithful mitochondrial bioenergetics model, a mathematical model was developed targeting the cardiac mitochondrial bioenergetic based upon previous efforts, and corroborated using both transient and steady state data. The model consists of several modified rate functions of mitochondrial bioenergetics, integrated calcium dynamics and a detailed description of the K(+)-cycle and its effect on mitochondrial bioenergetics and matrix volume regulation. Model simulations were used to fit 42 adjustable parameters to four independent experimental data sets consisting of 32 data curves. During the model development, a certain network topology had to be in place and some assumptions about uncertain or unobserved experimental factors and conditions were explicitly constrained in order to faithfully reproduce all the data sets. These realizations are discussed, and their necessity helps contribute to the collective understanding of the mitochondrial bioenergetics.